# HG changeset patch
# User chemteam
# Date 1570467117 14400
# Node ID 36babbdd781801da1a0f4155d69bf97564830562
# Parent  49dac57d004a60369888a118cc0f1ffb70275063
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"

diff -r 49dac57d004a -r 36babbdd7818 angle.py
--- a/angle.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/angle.py	Mon Oct 07 12:51:57 2019 -0400
@@ -16,8 +16,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -52,7 +54,8 @@
     return np.rad2deg(theta)
 
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 data = np.array([(u.trajectory.frame, theta(u)) for ts in u.trajectory])
 frame, theta = data.T
 
diff -r 49dac57d004a -r 36babbdd7818 dihedrals.py
--- a/dihedrals.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/dihedrals.py	Mon Oct 07 12:51:57 2019 -0400
@@ -16,8 +16,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -56,7 +58,8 @@
     return np.rad2deg(psi)
 
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 data = np.array([(u.trajectory.frame, psi(u)) for ts in u.trajectory])
 frame, psi = data.T
 PSI = np.concatenate(psi, axis=0)
diff -r 49dac57d004a -r 36babbdd7818 distance.py
--- a/distance.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/distance.py	Mon Oct 07 12:51:57 2019 -0400
@@ -14,8 +14,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -34,7 +36,8 @@
 atom2 = "(segid %s and resid %s and name %s)" % \
     (args.isegid2, args.iresid2, args.iname2)
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 x = u.select_atoms(atom1)
 y = u.select_atoms(atom2)
 
diff -r 49dac57d004a -r 36babbdd7818 hbonds.py
--- a/hbonds.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/hbonds.py	Mon Oct 07 12:51:57 2019 -0400
@@ -4,6 +4,7 @@
 import csv
 import sys
 
+import MDAnalysis as mda
 import MDAnalysis.analysis.hbonds
 
 import pandas as pd
@@ -11,8 +12,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--isegid2', help='segid 2')
     parser.add_argument('--idistance', help='cutoff distance')
@@ -31,8 +34,8 @@
 distance = float(args.idistance)
 angle = float(args.iangle)
 
-u = MDAnalysis.Universe(
-    args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 
 h = MDAnalysis.analysis.hbonds.HydrogenBondAnalysis(
     u, selection1, selection2, distance=distance, angle=angle)
diff -r 49dac57d004a -r 36babbdd7818 macros.xml
--- a/macros.xml	Wed Apr 03 15:47:16 2019 -0400
+++ b/macros.xml	Mon Oct 07 12:51:57 2019 -0400
@@ -1,14 +1,14 @@
 <macros>
-    <token name="@VERSION@">0.19</token>
+    <token name="@VERSION@">0.20</token>
     <xml name="requirements">
         <requirements>
-            <requirement type="package" version="0.19.2">mdanalysis</requirement>
+            <requirement type="package" version="0.20.1">mdanalysis</requirement>
             <yield/>
         </requirements>
     </xml>
     <xml name="analysis_inputs">
-        <param format="dcd" name="dcdin" type="data" label="dcd trajectory input"/>
-        <param format="pdb" name="pdbin" type="data" label="pdb input"/>
+        <param format="dcd,xtc" name="trajin" type="data" label="DCD/XTC trajectory input"/>
+        <param format="pdb,gro" name="strin" type="data" label="PDB/GRO input"/>
         <yield/>
     </xml>
     <xml name="sanitizer">
@@ -24,8 +24,13 @@
         <yield/>
     </xml>
     <xml name="tests_inputs">
-        <param name="dcdin" value="test.dcd" />
-        <param name="pdbin" value="test.pdb" />
+        <param name="trajin" value="test.dcd" ftype="dcd"/>
+        <param name="strin" value="test.pdb" ftype="pdb"/>
+        <yield/>
+    </xml>
+    <xml name="tests_inputs_gmx">
+        <param name="trajin" value="test.xtc" ftype="xtc"/>
+        <param name="strin" value="test.gro" ftype="gro"/>
         <yield/>
     </xml>
     <xml name="citations">
diff -r 49dac57d004a -r 36babbdd7818 pca_cosine.py
--- a/pca_cosine.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/pca_cosine.py	Mon Oct 07 12:51:57 2019 -0400
@@ -12,8 +12,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--icomponents', help='number of principle components')
     parser.add_argument('--iindex', help='index of the PC')
     parser.add_argument('--output', help='output')
@@ -23,7 +25,8 @@
 
 args = parse_command_line(sys.argv)
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 
 components = int(args.icomponents)
 pca_index = int(args.iindex)
diff -r 49dac57d004a -r 36babbdd7818 ramachandran_plots.py
--- a/ramachandran_plots.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/ramachandran_plots.py	Mon Oct 07 12:51:57 2019 -0400
@@ -19,8 +19,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -94,13 +96,16 @@
     return np.rad2deg(dihe)
 
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 
 phi_trajdata = np.array(
     [(u.trajectory.frame, calc_torsion(dihe_phi)) for ts in u.trajectory])
 psi_trajdata = np.array(
     [(u.trajectory.frame, calc_torsion(dihe_psi)) for ts in u.trajectory])
 
+print(phi_trajdata, psi_trajdata)
+
 phi_frame, phi_series = phi_trajdata.T
 psi_frame, psi_series = psi_trajdata.T
 
diff -r 49dac57d004a -r 36babbdd7818 rdf.py
--- a/rdf.py	Wed Apr 03 15:47:16 2019 -0400
+++ b/rdf.py	Mon Oct 07 12:51:57 2019 -0400
@@ -16,8 +16,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -42,7 +44,8 @@
 start = float(args.istart)
 end = float(args.iend)
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 x = u.select_atoms(atom1)
 y = u.select_atoms(atom2)
 
diff -r 49dac57d004a -r 36babbdd7818 rdf.xml
--- a/rdf.xml	Wed Apr 03 15:47:16 2019 -0400
+++ b/rdf.xml	Mon Oct 07 12:51:57 2019 -0400
@@ -1,5 +1,5 @@
 <tool id="mdanalysis_rdf" name="RDF Analysis" version="@VERSION@">
-    <description>Radial Distribution Function between two atoms</description>
+    <description>- Radial Distribution Function between two atoms</description>
     <macros>
         <import>macros.xml</import>
     </macros>   
@@ -7,8 +7,10 @@
     <command detect_errors="exit_code">
 <![CDATA[
     python '$__tool_directory__/rdf.py' 
-        --idcd '$dcdin' 
-        --ipdb '$pdbin' 
+        --itraj '$trajin' 
+        --istr '$strin' 
+        --itrajext '$trajin.ext'
+        --istrext '$strin.ext'
         --isegid1 '$segid1'
         --iresid1 '$resid1'
         --iname1 '$name1' 
@@ -24,15 +26,17 @@
 ]]></command>
     <inputs>
         <expand macro="analysis_inputs"/>
-        <param name="segid1"  type="text" value="PRO" label="Segid of atom 1"/>
-        <param name="resid1"  type="text" value="212" label="Resid of atom 1"/>
+        <param name="segid1"  type="text" value="PRO" label="Segment ID of atom 1"/>
+        <param name="resid1"  type="text" value="212" label="Residue ID of atom 1"/>
         <param name="name1"  type="text" value="OE2" label="Atom name of atom 1"/>
-        <param name="segid2"  type="text" value="HET" label="Segid of atom 2"/>
-        <param name="resid2"  type="text" value="3" label="Resid of atom 2"/>
+        <param name="segid2"  type="text" value="HET" label="Segment ID of atom 2"/>
+        <param name="resid2"  type="text" value="3" label="Residue ID of atom 2"/>
         <param name="name2"  type="text" value="C1" label="Atom name of atom 2"/>
         <param name="nbins"  type="text" value="100" label="Number of bins in the histogram"/>
-        <param name="start"  type="text" value="0.0" label="Starting Point"/>
-        <param name="end"  type="text" value="5.0" label="End Point"/>
+        <param name="start"  type="text" min="0.0" value="0.0" label="Starting point (angstroms)"
+            help="Minimum value of r to calculate RDF for"/>
+        <param name="end"  type="text" value="15.0" label="End point (angstroms)"
+            help="Maximum value of r to calculate RDF for"/>
     </inputs>
     <outputs>
         <data format="tabular" name="output" label="RDF raw data"/>
@@ -58,13 +62,32 @@
               </assert_contents>
             </output>
         </test>
+        <test>
+            <expand macro="tests_inputs_gmx"/>
+            <param name="segid1" value="SYSTEM"/>
+            <param name="resid1" value="212"/>
+            <param name="name1" value="OE2"/>
+            <param name="segid2" value="SYSTEM"/>
+            <param name="resid2" value="3"/>
+            <param name="name2" value="C1"/>
+            <param name="nbins" value="100"/>
+            <param name="start" value="0.0"/>
+            <param name="end" value="5.0"/>
+            <output name="output">
+              <assert_contents>
+                <has_n_columns n="2" />
+                <not_has_text text="nan" />
+                <has_line_matching expression="3.275\s+6336.*" />
+              </assert_contents>
+            </output>
+        </test>
     </tests>
     <help><![CDATA[
 .. class:: infomark
 
 **What it does**
         
-The Radial Distribution Function (RDF) , g(r), also called pair distribution function or pair correlation function function can be used to find how density varies as a function of distance from a reference atom. 
+The Radial Distribution Function (RDF), g(r), also called pair distribution function or pair correlation function, can be used to find how density varies as a function of distance from a reference atom. 
 
 _____
 
@@ -73,10 +96,13 @@
 
 **Input**
 
-       - Trajectory file  (DCD).
+       - Trajectory file (DCD).
        - PDB file.
-       - Segids, resids and names of two atoms to calculate distances.
-     
+       - Segment IDs, residue IDs and names of two atoms to calculate RDF values.
+
+Note that a MDAnalysis 'segment' is a larger organizational unit, for example one protein or all the solvent molecules or simply the whole system.
+
+Other parameters can also be specified: the number of bins in the RDF histogram, and the start and end points for the calculation (i.e. the values of r between which RDF will be calculated).
 _____
 
         
diff -r 49dac57d004a -r 36babbdd7818 test-data/Ramachandran_Plot_raw_data_gmx.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Ramachandran_Plot_raw_data_gmx.tabular	Mon Oct 07 12:51:57 2019 -0400
@@ -0,0 +1,15 @@
+0	-144.6049403672638	97.68547741778757
+1	-141.28378752267525	97.77436430526272
+2	-140.5507581701893	96.64897577753301
+3	-139.80360840706982	96.77167935748881
+4	-134.73236008867292	95.35031471736332
+5	-133.2788812847167	97.90764978970712
+6	-132.85758534848696	97.74270020478778
+7	-132.92861986639113	98.03936669749623
+8	-132.36160579612704	97.75307833579126
+9	-133.24942867028537	98.47767719548273
+10	-129.07281864740457	93.50325320406353
+11	-138.52555276641212	98.65922847590556
+12	-134.17197735904452	86.3334209333448
+13	-135.7743412592041	89.34890663035344
+14	-151.15173106037906	101.47282449338631
diff -r 49dac57d004a -r 36babbdd7818 test-data/test.gro
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test.gro	Mon Oct 07 12:51:57 2019 -0400
@@ -0,0 +1,61652 @@
+Glycine aRginine prOline Methionine Alanine Cystine Serine
+61649
+    2SER      N    1   2.371   0.440   0.529
+    2SER    HT1    2   2.277   0.401   0.505
+    2SER    HT2    3   2.399   0.406   0.623
+    2SER    HT3    4   2.441   0.402   0.461
+    2SER     CA    5   2.369   0.591   0.523
+    2SER     HA    6   2.305   0.626   0.603
+    2SER     CB    7   2.513   0.648   0.547
+    2SER    HB1    8   2.550   0.611   0.645
+    2SER    HB2    9   2.511   0.759   0.552
+    2SER     OG   10   2.603   0.606   0.444
+    2SER    HG1   11   2.693   0.638   0.465
+    2SER      C   12   2.309   0.645   0.394
+    2SER      O   13   2.229   0.574   0.331
+    3ALA      N   14   2.342   0.767   0.352
+    3ALA     HN   15   2.411   0.824   0.396
+    3ALA     CA   16   2.294   0.828   0.229
+    3ALA     HA   17   2.242   0.755   0.168
+    3ALA     CB   18   2.201   0.948   0.258
+    3ALA    HB1   19   2.251   1.022   0.324
+    3ALA    HB2   20   2.109   0.913   0.308
+    3ALA    HB3   21   2.172   0.998   0.164
+    3ALA      C   22   2.415   0.875   0.151
+    3ALA      O   23   2.517   0.908   0.207
+    4CYS      N   24   2.401   0.875   0.017
+    4CYS     HN   25   2.314   0.848  -0.026
+    4CYS     CA   26   2.503   0.915  -0.077
+    4CYS     HA   27   2.577   0.976  -0.027
+    4CYS     CB   28   2.570   0.795  -0.148
+    4CYS    HB1   29   2.626   0.829  -0.238
+    4CYS    HB2   30   2.491   0.726  -0.185
+    4CYS     SG   31   2.689   0.708  -0.041
+    4CYS      C   32   2.434   1.003  -0.177
+    4CYS      O   33   2.310   1.011  -0.185
+    5THR      N   34   2.513   1.082  -0.251
+    5THR     HN   35   2.612   1.073  -0.243
+    5THR     CA   36   2.463   1.189  -0.334
+    5THR     HA   37   2.359   1.168  -0.361
+    5THR     CB   38   2.471   1.327  -0.267
+    5THR     HB   39   2.436   1.406  -0.337
+    5THR    OG1   40   2.605   1.358  -0.227
+    5THR    HG1   41   2.654   1.352  -0.310
+    5THR    CG2   42   2.379   1.330  -0.145
+    5THR   HG21   43   2.413   1.259  -0.066
+    5THR   HG22   44   2.276   1.300  -0.175
+    5THR   HG23   45   2.375   1.431  -0.100
+    5THR      C   46   2.539   1.190  -0.465
+    5THR      O   47   2.581   1.296  -0.511
+    6LEU      N   48   2.559   1.072  -0.527
+    6LEU     HN   49   2.522   0.985  -0.489
+    6LEU     CA   50   2.613   1.064  -0.662
+    6LEU     HA   51   2.693   1.135  -0.673
+    6LEU     CB   52   2.664   0.921  -0.694
+    6LEU    HB1   53   2.704   0.919  -0.798
+    6LEU    HB2   54   2.578   0.850  -0.687
+    6LEU     CG   55   2.774   0.867  -0.600
+    6LEU     HG   56   2.733   0.865  -0.496
+    6LEU    CD1   57   2.810   0.722  -0.638
+    6LEU   HD11   58   2.849   0.716  -0.741
+    6LEU   HD12   59   2.718   0.658  -0.631
+    6LEU   HD13   60   2.885   0.680  -0.568
+    6LEU    CD2   61   2.900   0.954  -0.602
+    6LEU   HD21   62   2.877   1.056  -0.564
+    6LEU   HD22   63   2.939   0.964  -0.705
+    6LEU   HD23   64   2.979   0.910  -0.538
+    6LEU      C   65   2.505   1.102  -0.763
+    6LEU      O   66   2.529   1.158  -0.868
+    7GLN      N   67   2.378   1.075  -0.725
+    7GLN     HN   68   2.357   1.024  -0.641
+    7GLN     CA   69   2.262   1.113  -0.801
+    7GLN     HA   70   2.291   1.166  -0.890
+    7GLN     CB   71   2.178   0.990  -0.840
+    7GLN    HB1   72   2.098   1.021  -0.910
+    7GLN    HB2   73   2.128   0.948  -0.749
+    7GLN     CG   74   2.265   0.878  -0.901
+    7GLN    HG1   75   2.333   0.834  -0.825
+    7GLN    HG2   76   2.327   0.921  -0.984
+    7GLN     CD   77   2.181   0.767  -0.962
+    7GLN    OE1   78   2.190   0.744  -1.082
+    7GLN    NE2   79   2.097   0.701  -0.879
+    7GLN   HE21   80   2.085   0.731  -0.785
+    7GLN   HE22   81   2.035   0.634  -0.921
+    7GLN      C   82   2.183   1.207  -0.712
+    7GLN      O   83   2.176   1.194  -0.590
+    8SER      N   84   2.125   1.313  -0.770
+    8SER     HN   85   2.120   1.326  -0.868
+    8SER     CA   86   2.049   1.408  -0.692
+    8SER     HA   87   2.102   1.426  -0.599
+    8SER     CB   88   2.035   1.544  -0.763
+    8SER    HB1   89   2.137   1.588  -0.771
+    8SER    HB2   90   1.971   1.615  -0.705
+    8SER     OG   91   1.987   1.530  -0.897
+    8SER    HG1   92   1.897   1.493  -0.894
+    8SER      C   93   1.913   1.356  -0.653
+    8SER      O   94   1.836   1.312  -0.739
+    9GLU      N   95   1.878   1.361  -0.524
+    9GLU     HN   96   1.939   1.399  -0.454
+    9GLU     CA   97   1.747   1.325  -0.477
+    9GLU     HA   98   1.703   1.252  -0.544
+    9GLU     CB   99   1.749   1.263  -0.335
+    9GLU    HB1  100   1.803   1.331  -0.266
+    9GLU    HB2  101   1.808   1.168  -0.340
+    9GLU     CG  102   1.609   1.230  -0.275
+    9GLU    HG1  103   1.547   1.322  -0.264
+    9GLU    HG2  104   1.621   1.188  -0.173
+    9GLU     CD  105   1.533   1.126  -0.358
+    9GLU    OE1  106   1.593   1.059  -0.442
+    9GLU    OE2  107   1.408   1.106  -0.335
+    9GLU      C  108   1.660   1.448  -0.481
+    9GLU      O  109   1.694   1.553  -0.426
+   10THR      N  110   1.548   1.441  -0.555
+   10THR     HN  111   1.522   1.354  -0.598
+   10THR     CA  112   1.455   1.551  -0.566
+   10THR     HA  113   1.464   1.616  -0.480
+   10THR     CB  114   1.471   1.632  -0.695
+   10THR     HB  115   1.462   1.563  -0.783
+   10THR    OG1  116   1.599   1.693  -0.700
+   10THR    HG1  117   1.658   1.624  -0.668
+   10THR    CG2  118   1.365   1.743  -0.706
+   10THR   HG21  119   1.362   1.802  -0.612
+   10THR   HG22  120   1.264   1.700  -0.724
+   10THR   HG23  121   1.390   1.810  -0.791
+   10THR      C  122   1.318   1.492  -0.564
+   10THR      O  123   1.284   1.410  -0.649
+   11HSD      N  124   1.235   1.532  -0.467
+   11HSD     HN  125   1.265   1.597  -0.398
+   11HSD     CA  126   1.102   1.477  -0.448
+   11HSD     HA  127   1.105   1.370  -0.468
+   11HSD     CB  128   1.060   1.495  -0.301
+   11HSD    HB1  129   0.963   1.444  -0.281
+   11HSD    HB2  130   1.048   1.603  -0.278
+   11HSD    ND1  131   1.223   1.513  -0.106
+   11HSD    HD1  132   1.214   1.612  -0.090
+   11HSD     CG  133   1.161   1.439  -0.204
+   11HSD    CE1  134   1.298   1.427  -0.033
+   11HSD    HE1  135   1.356   1.455   0.054
+   11HSD    NE2  136   1.288   1.304  -0.078
+   11HSD    CD2  137   1.201   1.310  -0.185
+   11HSD    HD2  138   1.174   1.221  -0.240
+   11HSD      C  139   1.001   1.546  -0.538
+   11HSD      O  140   0.996   1.671  -0.535
+   12PRO      N  141   0.919   1.481  -0.620
+   12PRO     CD  142   0.939   1.342  -0.663
+   12PRO    HD1  143   0.901   1.273  -0.584
+   12PRO    HD2  144   1.046   1.320  -0.682
+   12PRO     CA  145   0.811   1.545  -0.693
+   12PRO     HA  146   0.859   1.616  -0.758
+   12PRO     CB  147   0.745   1.432  -0.774
+   12PRO    HB1  148   0.706   1.467  -0.871
+   12PRO    HB2  149   0.661   1.386  -0.716
+   12PRO     CG  150   0.856   1.327  -0.790
+   12PRO    HG1  151   0.816   1.224  -0.803
+   12PRO    HG2  152   0.918   1.353  -0.879
+   12PRO      C  153   0.712   1.619  -0.603
+   12PRO      O  154   0.660   1.554  -0.513
+   13PRO      N  155   0.682   1.749  -0.618
+   13PRO     CD  156   0.727   1.833  -0.729
+   13PRO    HD1  157   0.722   1.780  -0.826
+   13PRO    HD2  158   0.832   1.864  -0.707
+   13PRO     CA  159   0.582   1.817  -0.537
+   13PRO     HA  160   0.605   1.803  -0.432
+   13PRO     CB  161   0.594   1.964  -0.580
+   13PRO    HB1  162   0.677   2.011  -0.523
+   13PRO    HB2  163   0.501   2.021  -0.563
+   13PRO     CG  164   0.633   1.953  -0.728
+   13PRO    HG1  165   0.543   1.930  -0.787
+   13PRO    HG2  166   0.680   2.046  -0.767
+   13PRO      C  167   0.444   1.761  -0.560
+   13PRO      O  168   0.410   1.724  -0.673
+   14LEU      N  169   0.362   1.755  -0.454
+   14LEU     HN  170   0.393   1.785  -0.364
+   14LEU     CA  171   0.225   1.713  -0.465
+   14LEU     HA  172   0.188   1.735  -0.565
+   14LEU     CB  173   0.210   1.562  -0.435
+   14LEU    HB1  174   0.246   1.542  -0.331
+   14LEU    HB2  175   0.278   1.506  -0.504
+   14LEU     CG  176   0.068   1.504  -0.450
+   14LEU     HG  177  -0.002   1.560  -0.384
+   14LEU    CD1  178   0.017   1.514  -0.595
+   14LEU   HD11  179   0.087   1.464  -0.665
+   14LEU   HD12  180   0.006   1.620  -0.626
+   14LEU   HD13  181  -0.082   1.465  -0.604
+   14LEU    CD2  182   0.066   1.357  -0.405
+   14LEU   HD21  183   0.103   1.348  -0.301
+   14LEU   HD22  184   0.131   1.295  -0.472
+   14LEU   HD23  185  -0.037   1.317  -0.410
+   14LEU      C  186   0.144   1.796  -0.369
+   14LEU      O  187   0.174   1.806  -0.250
+   15THR      N  188   0.039   1.863  -0.419
+   15THR     HN  189   0.015   1.860  -0.516
+   15THR     CA  190  -0.046   1.946  -0.335
+   15THR     HA  191   0.007   1.970  -0.244
+   15THR     CB  192  -0.086   2.080  -0.395
+   15THR     HB  193  -0.146   2.137  -0.320
+   15THR    OG1  194  -0.162   2.070  -0.515
+   15THR    HG1  195  -0.194   2.160  -0.529
+   15THR    CG2  196   0.041   2.160  -0.426
+   15THR   HG21  197   0.103   2.109  -0.502
+   15THR   HG22  198   0.101   2.174  -0.334
+   15THR   HG23  199   0.015   2.261  -0.465
+   15THR      C  200  -0.169   1.869  -0.292
+   15THR      O  201  -0.210   1.770  -0.352
+   16TRP      N  202  -0.229   1.913  -0.181
+   16TRP     HN  203  -0.196   1.993  -0.132
+   16TRP     CA  204  -0.343   1.846  -0.123
+   16TRP     HA  205  -0.409   1.815  -0.203
+   16TRP     CB  206  -0.303   1.720  -0.040
+   16TRP    HB1  207  -0.257   1.648  -0.110
+   16TRP    HB2  208  -0.394   1.672  -0.001
+   16TRP     CG  209  -0.207   1.742   0.074
+   16TRP    CD1  210  -0.070   1.755   0.066
+   16TRP    HD1  211  -0.014   1.753  -0.027
+   16TRP    NE1  212  -0.019   1.769   0.192
+   16TRP    HE1  213   0.076   1.775   0.218
+   16TRP    CE2  214  -0.119   1.763   0.284
+   16TRP    CD2  215  -0.240   1.745   0.214
+   16TRP    CE3  216  -0.360   1.734   0.284
+   16TRP    HE3  217  -0.454   1.719   0.233
+   16TRP    CZ3  218  -0.357   1.742   0.424
+   16TRP    HZ3  219  -0.449   1.732   0.479
+   16TRP    CZ2  220  -0.116   1.770   0.423
+   16TRP    HZ2  221  -0.022   1.783   0.475
+   16TRP    CH2  222  -0.236   1.758   0.492
+   16TRP    HH2  223  -0.235   1.758   0.600
+   16TRP      C  224  -0.418   1.950  -0.044
+   16TRP      O  225  -0.373   2.065  -0.031
+   17GLN      N  226  -0.537   1.917   0.006
+   17GLN     HN  227  -0.573   1.824  -0.010
+   17GLN     CA  228  -0.626   2.010   0.072
+   17GLN     HA  229  -0.583   2.109   0.073
+   17GLN     CB  230  -0.764   2.012   0.003
+   17GLN    HB1  231  -0.837   2.069   0.065
+   17GLN    HB2  232  -0.800   1.908  -0.003
+   17GLN     CG  233  -0.764   2.073  -0.139
+   17GLN    HG1  234  -0.863   2.058  -0.185
+   17GLN    HG2  235  -0.689   2.021  -0.202
+   17GLN     CD  236  -0.738   2.223  -0.135
+   17GLN    OE1  237  -0.808   2.295  -0.063
+   17GLN    NE2  238  -0.642   2.274  -0.215
+   17GLN   HE21  239  -0.634   2.374  -0.218
+   17GLN   HE22  240  -0.592   2.214  -0.277
+   17GLN      C  241  -0.647   1.969   0.217
+   17GLN      O  242  -0.672   1.854   0.247
+   18LYS      N  243  -0.643   2.068   0.308
+   18LYS     HN  244  -0.622   2.162   0.282
+   18LYS     CA  245  -0.681   2.044   0.446
+   18LYS     HA  246  -0.704   1.939   0.461
+   18LYS     CB  247  -0.572   2.082   0.548
+   18LYS    HB1  248  -0.557   2.193   0.548
+   18LYS    HB2  249  -0.477   2.036   0.513
+   18LYS     CG  250  -0.602   2.029   0.689
+   18LYS    HG1  251  -0.599   1.918   0.685
+   18LYS    HG2  252  -0.706   2.058   0.719
+   18LYS     CD  253  -0.505   2.082   0.795
+   18LYS    HD1  254  -0.524   2.191   0.804
+   18LYS    HD2  255  -0.400   2.071   0.761
+   18LYS     CE  256  -0.523   2.022   0.936
+   18LYS    HE1  257  -0.629   2.030   0.967
+   18LYS    HE2  258  -0.460   2.078   1.007
+   18LYS     NZ  259  -0.484   1.879   0.943
+   18LYS    HZ1  260  -0.382   1.870   0.916
+   18LYS    HZ2  261  -0.543   1.823   0.879
+   18LYS    HZ3  262  -0.494   1.842   1.040
+   18LYS      C  263  -0.807   2.123   0.471
+   18LYS      O  264  -0.810   2.247   0.457
+   19CYS      N  265  -0.916   2.053   0.503
+   19CYS     HN  266  -0.908   1.953   0.517
+   19CYS     CA  267  -1.048   2.108   0.522
+   19CYS     HA  268  -1.051   2.208   0.481
+   19CYS     CB  269  -1.156   2.025   0.449
+   19CYS    HB1  270  -1.257   2.069   0.465
+   19CYS    HB2  271  -1.158   1.922   0.492
+   19CYS     SG  272  -1.125   2.012   0.271
+   19CYS      C  273  -1.080   2.122   0.669
+   19CYS      O  274  -1.012   2.070   0.757
+   20SER      N  275  -1.184   2.200   0.700
+   20SER     HN  276  -1.239   2.242   0.628
+   20SER     CA  277  -1.219   2.236   0.835
+   20SER     HA  278  -1.175   2.165   0.905
+   20SER     CB  279  -1.174   2.380   0.870
+   20SER    HB1  280  -1.064   2.388   0.858
+   20SER    HB2  281  -1.197   2.404   0.976
+   20SER     OG  282  -1.238   2.478   0.788
+   20SER    HG1  283  -1.200   2.474   0.699
+   20SER      C  284  -1.368   2.228   0.854
+   20SER      O  285  -1.447   2.229   0.760
+   21SER      N  286  -1.412   2.226   0.981
+   21SER     HN  287  -1.350   2.226   1.059
+   21SER     CA  288  -1.552   2.220   1.019
+   21SER     HA  289  -1.601   2.146   0.956
+   21SER     CB  290  -1.566   2.177   1.167
+   21SER    HB1  291  -1.521   2.076   1.178
+   21SER    HB2  292  -1.673   2.169   1.196
+   21SER     OG  293  -1.495   2.268   1.252
+   21SER    HG1  294  -1.550   2.347   1.260
+   21SER      C  295  -1.625   2.352   1.000
+   21SER      O  296  -1.746   2.360   1.013
+   22GLY      N  297  -1.549   2.461   0.971
+   22GLY     HN  298  -1.450   2.451   0.966
+   22GLY     CA  299  -1.604   2.591   0.933
+   22GLY    HA1  300  -1.523   2.663   0.936
+   22GLY    HA2  301  -1.686   2.617   0.999
+   22GLY      C  302  -1.657   2.591   0.792
+   22GLY      O  303  -1.741   2.674   0.755
+   23GLY      N  304  -1.610   2.497   0.709
+   23GLY     HN  305  -1.542   2.431   0.744
+   23GLY     CA  306  -1.661   2.475   0.575
+   23GLY    HA1  307  -1.756   2.525   0.561
+   23GLY    HA2  308  -1.668   2.368   0.561
+   23GLY      C  309  -1.567   2.526   0.470
+   23GLY      O  310  -1.609   2.554   0.358
+   24THR      N  311  -1.439   2.539   0.503
+   24THR     HN  312  -1.408   2.519   0.596
+   24THR     CA  313  -1.336   2.591   0.415
+   24THR     HA  314  -1.376   2.602   0.315
+   24THR     CB  315  -1.277   2.725   0.458
+   24THR     HB  316  -1.189   2.753   0.396
+   24THR    OG1  317  -1.238   2.724   0.595
+   24THR    HG1  318  -1.215   2.816   0.618
+   24THR    CG2  319  -1.386   2.832   0.441
+   24THR   HG21  320  -1.471   2.813   0.510
+   24THR   HG22  321  -1.424   2.830   0.337
+   24THR   HG23  322  -1.345   2.933   0.461
+   24THR      C  323  -1.224   2.490   0.406
+   24THR      O  324  -1.196   2.416   0.499
+   25CYS      N  325  -1.157   2.486   0.288
+   25CYS     HN  326  -1.183   2.544   0.212
+   25CYS     CA  327  -1.039   2.406   0.269
+   25CYS     HA  328  -1.008   2.363   0.362
+   25CYS     CB  329  -1.057   2.294   0.163
+   25CYS    HB1  330  -0.964   2.233   0.157
+   25CYS    HB2  331  -1.072   2.342   0.064
+   25CYS     SG  332  -1.200   2.185   0.194
+   25CYS      C  333  -0.928   2.498   0.227
+   25CYS      O  334  -0.952   2.611   0.179
+   26THR      N  335  -0.804   2.457   0.250
+   26THR     HN  336  -0.789   2.365   0.288
+   26THR     CA  337  -0.684   2.536   0.227
+   26THR     HA  338  -0.705   2.612   0.154
+   26THR     CB  339  -0.625   2.599   0.354
+   26THR     HB  340  -0.522   2.639   0.334
+   26THR    OG1  341  -0.621   2.507   0.463
+   26THR    HG1  342  -0.702   2.456   0.454
+   26THR    CG2  343  -0.715   2.715   0.397
+   26THR   HG21  344  -0.816   2.679   0.426
+   26THR   HG22  345  -0.728   2.788   0.314
+   26THR   HG23  346  -0.670   2.768   0.484
+   26THR      C  347  -0.579   2.444   0.168
+   26THR      O  348  -0.559   2.334   0.215
+   27GLN      N  349  -0.511   2.490   0.059
+   27GLN     HN  350  -0.537   2.576   0.015
+   27GLN     CA  351  -0.401   2.414   0.002
+   27GLN     HA  352  -0.441   2.315  -0.018
+   27GLN     CB  353  -0.355   2.470  -0.136
+   27GLN    HB1  354  -0.321   2.574  -0.122
+   27GLN    HB2  355  -0.445   2.473  -0.202
+   27GLN     CG  356  -0.243   2.386  -0.204
+   27GLN    HG1  357  -0.276   2.280  -0.209
+   27GLN    HG2  358  -0.149   2.390  -0.146
+   27GLN     CD  359  -0.212   2.431  -0.347
+   27GLN    OE1  360  -0.234   2.360  -0.445
+   27GLN    NE2  361  -0.156   2.553  -0.360
+   27GLN   HE21  362  -0.128   2.582  -0.451
+   27GLN   HE22  363  -0.123   2.601  -0.279
+   27GLN      C  364  -0.283   2.392   0.096
+   27GLN      O  365  -0.239   2.480   0.170
+   28GLN      N  366  -0.229   2.270   0.093
+   28GLN     HN  367  -0.271   2.199   0.035
+   28GLN     CA  368  -0.111   2.228   0.162
+   28GLN     HA  369  -0.066   2.310   0.217
+   28GLN     CB  370  -0.140   2.106   0.252
+   28GLN    HB1  371  -0.049   2.081   0.312
+   28GLN    HB2  372  -0.163   2.018   0.188
+   28GLN     CG  373  -0.261   2.123   0.348
+   28GLN    HG1  374  -0.270   2.030   0.408
+   28GLN    HG2  375  -0.354   2.134   0.289
+   28GLN     CD  376  -0.245   2.240   0.445
+   28GLN    OE1  377  -0.160   2.240   0.533
+   28GLN    NE2  378  -0.333   2.343   0.434
+   28GLN   HE21  379  -0.397   2.346   0.357
+   28GLN   HE22  380  -0.324   2.418   0.498
+   28GLN      C  381  -0.017   2.185   0.051
+   28GLN      O  382  -0.061   2.140  -0.055
+   29THR      N  383   0.115   2.199   0.070
+   29THR     HN  384   0.152   2.230   0.157
+   29THR     CA  385   0.212   2.159  -0.032
+   29THR     HA  386   0.163   2.109  -0.114
+   29THR     CB  387   0.293   2.276  -0.087
+   29THR     HB  388   0.352   2.325  -0.007
+   29THR    OG1  389   0.206   2.374  -0.144
+   29THR    HG1  390   0.141   2.392  -0.075
+   29THR    CG2  391   0.387   2.227  -0.199
+   29THR   HG21  392   0.331   2.174  -0.278
+   29THR   HG22  393   0.464   2.158  -0.159
+   29THR   HG23  394   0.440   2.313  -0.245
+   29THR      C  395   0.307   2.060   0.031
+   29THR      O  396   0.377   2.093   0.126
+   30GLY      N  397   0.308   1.936  -0.022
+   30GLY     HN  398   0.253   1.913  -0.102
+   30GLY     CA  399   0.398   1.830   0.020
+   30GLY    HA1  400   0.337   1.747   0.053
+   30GLY    HA2  401   0.468   1.864   0.094
+   30GLY      C  402   0.476   1.783  -0.099
+   30GLY      O  403   0.488   1.852  -0.201
+   31SER      N  404   0.530   1.662  -0.092
+   31SER     HN  405   0.521   1.604  -0.011
+   31SER     CA  406   0.607   1.603  -0.200
+   31SER     HA  407   0.555   1.621  -0.293
+   31SER     CB  408   0.753   1.657  -0.211
+   31SER    HB1  409   0.748   1.765  -0.233
+   31SER    HB2  410   0.805   1.607  -0.295
+   31SER     OG  411   0.826   1.639  -0.089
+   31SER    HG1  412   0.916   1.671  -0.101
+   31SER      C  413   0.603   1.454  -0.178
+   31SER      O  414   0.555   1.409  -0.075
+   32VAL      N  415   0.646   1.373  -0.277
+   32VAL     HN  416   0.681   1.410  -0.362
+   32VAL     CA  417   0.645   1.228  -0.266
+   32VAL     HA  418   0.610   1.200  -0.168
+   32VAL     CB  419   0.554   1.157  -0.367
+   32VAL     HB  420   0.564   1.047  -0.354
+   32VAL    CG1  421   0.407   1.194  -0.337
+   32VAL   HG11  422   0.390   1.303  -0.350
+   32VAL   HG12  423   0.382   1.166  -0.232
+   32VAL   HG13  424   0.339   1.139  -0.405
+   32VAL    CG2  425   0.591   1.192  -0.513
+   32VAL   HG21  426   0.695   1.163  -0.536
+   32VAL   HG22  427   0.580   1.301  -0.530
+   32VAL   HG23  428   0.524   1.139  -0.583
+   32VAL      C  429   0.786   1.172  -0.275
+   32VAL      O  430   0.870   1.224  -0.348
+   33VAL      N  431   0.814   1.066  -0.198
+   33VAL     HN  432   0.745   1.028  -0.136
+   33VAL     CA  433   0.944   1.003  -0.193
+   33VAL     HA  434   1.005   1.041  -0.274
+   33VAL     CB  435   1.018   1.031  -0.063
+   33VAL     HB  436   1.032   1.142  -0.058
+   33VAL    CG1  437   0.937   0.988   0.060
+   33VAL   HG11  438   0.927   0.878   0.064
+   33VAL   HG12  439   0.835   1.034   0.061
+   33VAL   HG13  440   0.989   1.021   0.152
+   33VAL    CG2  441   1.158   0.967  -0.060
+   33VAL   HG21  442   1.219   1.002  -0.146
+   33VAL   HG22  443   1.152   0.856  -0.059
+   33VAL   HG23  444   1.210   0.999   0.033
+   33VAL      C  445   0.930   0.855  -0.218
+   33VAL      O  446   0.839   0.790  -0.165
+   34ILE      N  447   1.015   0.797  -0.305
+   34ILE     HN  448   1.086   0.851  -0.350
+   34ILE     CA  449   1.013   0.654  -0.335
+   34ILE     HA  450   0.910   0.622  -0.329
+   34ILE     CB  451   1.063   0.621  -0.475
+   34ILE     HB  452   1.012   0.692  -0.545
+   34ILE    CG2  453   1.215   0.644  -0.488
+   34ILE   HG21  454   1.272   0.571  -0.426
+   34ILE   HG22  455   1.243   0.747  -0.455
+   34ILE   HG23  456   1.248   0.632  -0.593
+   34ILE    CG1  457   1.021   0.479  -0.521
+   34ILE   HG11  458   0.914   0.464  -0.495
+   34ILE   HG12  459   1.079   0.403  -0.464
+   34ILE     CD  460   1.037   0.455  -0.671
+   34ILE    HD1  461   1.144   0.460  -0.701
+   34ILE    HD2  462   0.981   0.531  -0.729
+   34ILE    HD3  463   0.998   0.354  -0.699
+   34ILE      C  464   1.086   0.575  -0.227
+   34ILE      O  465   1.186   0.617  -0.171
+   35ASP      N  466   1.030   0.455  -0.198
+   35ASP     HN  467   0.944   0.428  -0.241
+   35ASP     CA  468   1.082   0.359  -0.103
+   35ASP     HA  469   1.084   0.409  -0.007
+   35ASP     CB  470   0.983   0.241  -0.093
+   35ASP    HB1  471   0.967   0.195  -0.192
+   35ASP    HB2  472   0.884   0.279  -0.058
+   35ASP     CG  473   1.028   0.134   0.004
+   35ASP    OD1  474   1.085   0.031  -0.040
+   35ASP    OD2  475   1.009   0.156   0.126
+   35ASP      C  476   1.226   0.316  -0.130
+   35ASP      O  477   1.276   0.311  -0.243
+   36ALA      N  478   1.299   0.284  -0.022
+   36ALA     HN  479   1.253   0.284   0.068
+   36ALA     CA  480   1.438   0.248  -0.022
+   36ALA     HA  481   1.492   0.332  -0.064
+   36ALA     CB  482   1.485   0.226   0.123
+   36ALA    HB1  483   1.430   0.142   0.169
+   36ALA    HB2  484   1.465   0.318   0.183
+   36ALA    HB3  485   1.594   0.205   0.126
+   36ALA      C  486   1.472   0.127  -0.109
+   36ALA      O  487   1.579   0.122  -0.169
+   37ASN      N  488   1.382   0.026  -0.119
+   37ASN     HN  489   1.292   0.033  -0.074
+   37ASN     CA  490   1.406  -0.093  -0.200
+   37ASN     HA  491   1.499  -0.136  -0.165
+   37ASN     CB  492   1.292  -0.198  -0.189
+   37ASN    HB1  493   1.292  -0.266  -0.276
+   37ASN    HB2  494   1.193  -0.147  -0.184
+   37ASN     CG  495   1.312  -0.286  -0.065
+   37ASN    OD1  496   1.399  -0.265   0.018
+   37ASN    ND2  497   1.234  -0.398  -0.062
+   37ASN   HD21  498   1.246  -0.464   0.012
+   37ASN   HD22  499   1.170  -0.416  -0.135
+   37ASN      C  500   1.432  -0.066  -0.348
+   37ASN      O  501   1.516  -0.131  -0.409
+   38TRP      N  502   1.360   0.033  -0.407
+   38TRP     HN  503   1.297   0.086  -0.351
+   38TRP     CA  504   1.372   0.071  -0.547
+   38TRP     HA  505   1.368  -0.019  -0.607
+   38TRP     CB  506   1.254   0.164  -0.586
+   38TRP    HB1  507   1.281   0.225  -0.675
+   38TRP    HB2  508   1.235   0.236  -0.503
+   38TRP     CG  509   1.126   0.093  -0.620
+   38TRP    CD1  510   1.080   0.072  -0.747
+   38TRP    HD1  511   1.131   0.106  -0.837
+   38TRP    NE1  512   0.961   0.004  -0.744
+   38TRP    HE1  513   0.903  -0.017  -0.820
+   38TRP    CE2  514   0.928  -0.021  -0.614
+   38TRP    CD2  515   1.029   0.033  -0.532
+   38TRP    CE3  516   1.019   0.021  -0.394
+   38TRP    HE3  517   1.092   0.063  -0.326
+   38TRP    CZ3  518   0.908  -0.045  -0.341
+   38TRP    HZ3  519   0.899  -0.055  -0.233
+   38TRP    CZ2  520   0.818  -0.087  -0.562
+   38TRP    HZ2  521   0.741  -0.129  -0.626
+   38TRP    CH2  522   0.809  -0.099  -0.423
+   38TRP    HH2  523   0.725  -0.149  -0.378
+   38TRP      C  524   1.503   0.140  -0.580
+   38TRP      O  525   1.547   0.144  -0.695
+   39ARG      N  526   1.569   0.198  -0.479
+   39ARG     HN  527   1.533   0.189  -0.386
+   39ARG     CA  528   1.693   0.270  -0.493
+   39ARG     HA  529   1.679   0.337  -0.577
+   39ARG     CB  530   1.723   0.357  -0.369
+   39ARG    HB1  531   1.817   0.415  -0.386
+   39ARG    HB2  532   1.740   0.291  -0.281
+   39ARG     CG  533   1.612   0.458  -0.339
+   39ARG    HG1  534   1.515   0.404  -0.322
+   39ARG    HG2  535   1.598   0.524  -0.428
+   39ARG     CD  536   1.640   0.544  -0.216
+   39ARG    HD1  537   1.737   0.598  -0.224
+   39ARG    HD2  538   1.644   0.480  -0.124
+   39ARG     NE  539   1.525   0.641  -0.203
+   39ARG     HE  540   1.448   0.614  -0.147
+   39ARG     CZ  541   1.521   0.758  -0.264
+   39ARG    NH1  542   1.612   0.807  -0.339
+   39ARG   HH11  543   1.696   0.753  -0.358
+   39ARG   HH12  544   1.600   0.900  -0.380
+   39ARG    NH2  545   1.410   0.834  -0.243
+   39ARG   HH21  546   1.412   0.929  -0.276
+   39ARG   HH22  547   1.336   0.797  -0.190
+   39ARG      C  548   1.814   0.185  -0.526
+   39ARG      O  549   1.827   0.067  -0.494
+   40TRP      N  550   1.913   0.250  -0.592
+   40TRP     HN  551   1.898   0.344  -0.621
+   40TRP     CA  552   2.049   0.203  -0.596
+   40TRP     HA  553   2.048   0.102  -0.635
+   40TRP     CB  554   2.132   0.295  -0.690
+   40TRP    HB1  555   2.133   0.396  -0.644
+   40TRP    HB2  556   2.079   0.304  -0.787
+   40TRP     CG  557   2.274   0.256  -0.720
+   40TRP    CD1  558   2.329   0.129  -0.727
+   40TRP    HD1  559   2.275   0.037  -0.706
+   40TRP    NE1  560   2.460   0.139  -0.766
+   40TRP    HE1  561   2.525   0.064  -0.777
+   40TRP    CE2  562   2.493   0.270  -0.784
+   40TRP    CD2  563   2.379   0.347  -0.757
+   40TRP    CE3  564   2.385   0.486  -0.770
+   40TRP    HE3  565   2.300   0.549  -0.746
+   40TRP    CZ3  566   2.506   0.544  -0.809
+   40TRP    HZ3  567   2.513   0.652  -0.814
+   40TRP    CZ2  568   2.613   0.327  -0.823
+   40TRP    HZ2  569   2.700   0.267  -0.843
+   40TRP    CH2  570   2.618   0.466  -0.836
+   40TRP    HH2  571   2.710   0.515  -0.865
+   40TRP      C  572   2.111   0.199  -0.457
+   40TRP      O  573   2.095   0.292  -0.377
+   41THR      N  574   2.181   0.090  -0.424
+   41THR     HN  575   2.187   0.012  -0.487
+   41THR     CA  576   2.248   0.072  -0.297
+   41THR     HA  577   2.247   0.164  -0.241
+   41THR     CB  578   2.189  -0.041  -0.212
+   41THR     HB  579   2.206  -0.140  -0.261
+   41THR    OG1  580   2.048  -0.026  -0.199
+   41THR    HG1  581   2.016  -0.005  -0.288
+   41THR    CG2  582   2.248  -0.039  -0.071
+   41THR   HG21  583   2.222   0.056  -0.020
+   41THR   HG22  584   2.359  -0.048  -0.073
+   41THR   HG23  585   2.207  -0.124  -0.012
+   41THR      C  586   2.391   0.034  -0.330
+   41THR      O  587   2.418  -0.060  -0.401
+   42HSD      N  588   2.487   0.112  -0.276
+   42HSD     HN  589   2.466   0.186  -0.213
+   42HSD     CA  590   2.626   0.095  -0.313
+   42HSD     HA  591   2.647  -0.009  -0.330
+   42HSD     CB  592   2.663   0.176  -0.440
+   42HSD    HB1  593   2.598   0.142  -0.523
+   42HSD    HB2  594   2.768   0.158  -0.470
+   42HSD    ND1  595   2.739   0.414  -0.384
+   42HSD    HD1  596   2.832   0.391  -0.348
+   42HSD     CG  597   2.642   0.323  -0.423
+   42HSD    CE1  598   2.684   0.535  -0.388
+   42HSD    HE1  599   2.736   0.628  -0.360
+   42HSD    NE2  600   2.559   0.531  -0.428
+   42HSD    CD2  601   2.533   0.399  -0.451
+   42HSD    HD2  602   2.434   0.368  -0.485
+   42HSD      C  603   2.709   0.136  -0.195
+   42HSD      O  604   2.658   0.188  -0.096
+   43ALA      N  605   2.840   0.106  -0.200
+   43ALA     HN  606   2.875   0.055  -0.279
+   43ALA     CA  607   2.936   0.143  -0.099
+   43ALA     HA  608   2.900   0.101  -0.007
+   43ALA     CB  609   3.074   0.082  -0.131
+   43ALA    HB1  610   3.113   0.125  -0.225
+   43ALA    HB2  611   3.065  -0.028  -0.142
+   43ALA    HB3  612   3.146   0.103  -0.048
+   43ALA      C  613   2.950   0.293  -0.077
+   43ALA      O  614   2.931   0.375  -0.168
+   44THR      N  615   2.987   0.335   0.043
+   44THR     HN  616   3.004   0.271   0.119
+   44THR     CA  617   2.998   0.477   0.079
+   44THR     HA  618   2.908   0.526   0.045
+   44THR     CB  619   3.010   0.498   0.229
+   44THR     HB  620   3.037   0.602   0.254
+   44THR    OG1  621   3.105   0.407   0.285
+   44THR    HG1  622   3.099   0.415   0.380
+   44THR    CG2  623   2.873   0.466   0.292
+   44THR   HG21  624   2.840   0.363   0.268
+   44THR   HG22  625   2.797   0.537   0.252
+   44THR   HG23  626   2.877   0.476   0.402
+   44THR      C  627   3.114   0.548   0.011
+   44THR      O  628   3.115   0.671  -0.002
+   45ASN      N  629   3.215   0.472  -0.035
+   45ASN     HN  630   3.209   0.373  -0.023
+   45ASN     CA  631   3.338   0.525  -0.090
+   45ASN     HA  632   3.341   0.632  -0.078
+   45ASN     CB  633   3.457   0.463  -0.011
+   45ASN    HB1  634   3.448   0.498   0.094
+   45ASN    HB2  635   3.553   0.501  -0.051
+   45ASN     CG  636   3.460   0.310  -0.012
+   45ASN    OD1  637   3.392   0.241  -0.089
+   45ASN    ND2  638   3.539   0.254   0.082
+   45ASN   HD21  639   3.530   0.154   0.093
+   45ASN   HD22  640   3.573   0.310   0.157
+   45ASN      C  641   3.352   0.498  -0.240
+   45ASN      O  642   3.450   0.537  -0.304
+   46SER      N  643   3.254   0.432  -0.303
+   46SER     HN  644   3.169   0.407  -0.257
+   46SER     CA  645   3.270   0.387  -0.440
+   46SER     HA  646   3.310   0.469  -0.498
+   46SER     CB  647   3.364   0.264  -0.458
+   46SER    HB1  648   3.466   0.292  -0.424
+   46SER    HB2  649   3.372   0.235  -0.565
+   46SER     OG  650   3.319   0.152  -0.382
+   46SER    HG1  651   3.342   0.173  -0.289
+   46SER      C  652   3.134   0.358  -0.497
+   46SER      O  653   3.033   0.361  -0.428
+   47SER      N  654   3.126   0.330  -0.627
+   47SER     HN  655   3.205   0.325  -0.687
+   47SER     CA  656   3.001   0.303  -0.696
+   47SER     HA  657   2.918   0.348  -0.644
+   47SER     CB  658   3.010   0.361  -0.839
+   47SER    HB1  659   3.018   0.471  -0.830
+   47SER    HB2  660   2.918   0.339  -0.899
+   47SER     OG  661   3.126   0.312  -0.907
+   47SER    HG1  662   3.102   0.225  -0.942
+   47SER      C  663   2.976   0.154  -0.703
+   47SER      O  664   2.898   0.106  -0.785
+   48THR      N  665   3.045   0.076  -0.617
+   48THR     HN  666   3.099   0.121  -0.546
+   48THR     CA  667   3.034  -0.069  -0.610
+   48THR     HA  668   3.033  -0.108  -0.711
+   48THR     CB  669   3.148  -0.135  -0.532
+   48THR     HB  670   3.142  -0.109  -0.424
+   48THR    OG1  671   3.275  -0.090  -0.579
+   48THR    HG1  672   3.279   0.004  -0.560
+   48THR    CG2  673   3.145  -0.288  -0.549
+   48THR   HG21  674   3.148  -0.315  -0.656
+   48THR   HG22  675   3.054  -0.332  -0.503
+   48THR   HG23  676   3.234  -0.333  -0.499
+   48THR      C  677   2.906  -0.105  -0.541
+   48THR      O  678   2.884  -0.066  -0.426
+   49ASN      N  679   2.816  -0.178  -0.609
+   49ASN     HN  680   2.834  -0.203  -0.704
+   49ASN     CA  681   2.688  -0.219  -0.553
+   49ASN     HA  682   2.636  -0.129  -0.524
+   49ASN     CB  683   2.599  -0.297  -0.653
+   49ASN    HB1  684   2.511  -0.340  -0.600
+   49ASN    HB2  685   2.656  -0.382  -0.697
+   49ASN     CG  686   2.547  -0.209  -0.767
+   49ASN    OD1  687   2.612  -0.116  -0.815
+   49ASN    ND2  688   2.422  -0.236  -0.811
+   49ASN   HD21  689   2.371  -0.313  -0.771
+   49ASN   HD22  690   2.384  -0.183  -0.886
+   49ASN      C  691   2.703  -0.304  -0.426
+   49ASN      O  692   2.790  -0.389  -0.413
+   50CYS      N  693   2.612  -0.281  -0.328
+   50CYS     HN  694   2.546  -0.207  -0.337
+   50CYS     CA  695   2.604  -0.368  -0.212
+   50CYS     HA  696   2.696  -0.423  -0.197
+   50CYS     CB  697   2.571  -0.287  -0.083
+   50CYS    HB1  698   2.551  -0.358   0.000
+   50CYS    HB2  699   2.479  -0.228  -0.100
+   50CYS     SG  700   2.707  -0.178  -0.035
+   50CYS      C  701   2.494  -0.469  -0.231
+   50CYS      O  702   2.489  -0.572  -0.164
+   51TYR      N  703   2.405  -0.443  -0.329
+   51TYR     HN  704   2.413  -0.361  -0.384
+   51TYR     CA  705   2.299  -0.531  -0.367
+   51TYR     HA  706   2.326  -0.634  -0.348
+   51TYR     CB  707   2.169  -0.493  -0.291
+   51TYR    HB1  708   2.141  -0.388  -0.313
+   51TYR    HB2  709   2.188  -0.501  -0.182
+   51TYR     CG  710   2.053  -0.583  -0.325
+   51TYR    CD1  711   2.028  -0.699  -0.249
+   51TYR    HD1  712   2.096  -0.726  -0.170
+   51TYR    CE1  713   1.916  -0.778  -0.275
+   51TYR    HE1  714   1.898  -0.866  -0.215
+   51TYR     CZ  715   1.826  -0.742  -0.375
+   51TYR     OH  716   1.707  -0.816  -0.394
+   51TYR     HH  717   1.654  -0.774  -0.463
+   51TYR    CD2  718   1.963  -0.550  -0.428
+   51TYR    HD2  719   1.983  -0.463  -0.489
+   51TYR    CE2  720   1.850  -0.628  -0.453
+   51TYR    HE2  721   1.781  -0.603  -0.532
+   51TYR      C  722   2.286  -0.515  -0.517
+   51TYR      O  723   2.274  -0.402  -0.567
+   52ASP      N  724   2.289  -0.624  -0.594
+   52ASP     HN  725   2.297  -0.716  -0.554
+   52ASP     CA  726   2.274  -0.619  -0.738
+   52ASP     HA  727   2.208  -0.536  -0.762
+   52ASP     CB  728   2.410  -0.605  -0.812
+   52ASP    HB1  729   2.462  -0.703  -0.818
+   52ASP    HB2  730   2.476  -0.538  -0.753
+   52ASP     CG  731   2.399  -0.545  -0.951
+   52ASP    OD1  732   2.283  -0.513  -0.995
+   52ASP    OD2  733   2.500  -0.526  -1.018
+   52ASP      C  734   2.200  -0.747  -0.775
+   52ASP      O  735   2.226  -0.855  -0.722
+   53GLY      N  736   2.102  -0.739  -0.867
+   53GLY     HN  737   2.092  -0.654  -0.919
+   53GLY     CA  738   2.007  -0.848  -0.888
+   53GLY    HA1  739   2.062  -0.938  -0.911
+   53GLY    HA2  740   1.941  -0.819  -0.969
+   53GLY      C  741   1.921  -0.877  -0.768
+   53GLY      O  742   1.852  -0.787  -0.717
+   54ASN      N  743   1.920  -1.003  -0.720
+   54ASN     HN  744   1.971  -1.077  -0.764
+   54ASN     CA  745   1.845  -1.046  -0.603
+   54ASN     HA  746   1.794  -0.961  -0.562
+   54ASN     CB  747   1.736  -1.151  -0.638
+   54ASN    HB1  748   1.657  -1.099  -0.696
+   54ASN    HB2  749   1.690  -1.190  -0.545
+   54ASN     CG  750   1.783  -1.270  -0.720
+   54ASN    OD1  751   1.903  -1.287  -0.751
+   54ASN    ND2  752   1.688  -1.354  -0.764
+   54ASN   HD21  753   1.591  -1.338  -0.742
+   54ASN   HD22  754   1.715  -1.440  -0.805
+   54ASN      C  755   1.938  -1.092  -0.491
+   54ASN      O  756   1.898  -1.164  -0.400
+   55THR      N  757   2.065  -1.050  -0.495
+   55THR     HN  758   2.096  -0.987  -0.567
+   55THR     CA  759   2.167  -1.095  -0.402
+   55THR     HA  760   2.119  -1.139  -0.316
+   55THR     CB  761   2.264  -1.199  -0.460
+   55THR     HB  762   2.356  -1.210  -0.398
+   55THR    OG1  763   2.299  -1.168  -0.594
+   55THR    HG1  764   2.338  -1.079  -0.594
+   55THR    CG2  765   2.192  -1.335  -0.460
+   55THR   HG21  766   2.104  -1.334  -0.527
+   55THR   HG22  767   2.157  -1.361  -0.358
+   55THR   HG23  768   2.260  -1.416  -0.495
+   55THR      C  769   2.247  -0.980  -0.348
+   55THR      O  770   2.267  -0.877  -0.412
+   56TRP      N  771   2.298  -0.996  -0.225
+   56TRP     HN  772   2.282  -1.079  -0.174
+   56TRP     CA  773   2.385  -0.899  -0.162
+   56TRP     HA  774   2.362  -0.800  -0.199
+   56TRP     CB  775   2.372  -0.900  -0.007
+   56TRP    HB1  776   2.447  -0.832   0.038
+   56TRP    HB2  777   2.393  -1.002   0.031
+   56TRP     CG  778   2.237  -0.857   0.043
+   56TRP    CD1  779   2.128  -0.936   0.067
+   56TRP    HD1  780   2.122  -1.042   0.047
+   56TRP    NE1  781   2.026  -0.859   0.120
+   56TRP    HE1  782   1.936  -0.888   0.142
+   56TRP    CE2  783   2.070  -0.730   0.132
+   56TRP    CD2  784   2.202  -0.724   0.084
+   56TRP    CE3  785   2.271  -0.603   0.086
+   56TRP    HE3  786   2.373  -0.595   0.052
+   56TRP    CZ3  787   2.205  -0.489   0.134
+   56TRP    HZ3  788   2.257  -0.394   0.137
+   56TRP    CZ2  789   2.006  -0.618   0.184
+   56TRP    HZ2  790   1.906  -0.625   0.222
+   56TRP    CH2  791   2.076  -0.497   0.184
+   56TRP    HH2  792   2.029  -0.408   0.224
+   56TRP      C  793   2.530  -0.927  -0.196
+   56TRP      O  794   2.570  -1.039  -0.225
+   57SER      N  795   2.614  -0.822  -0.189
+   57SER     HN  796   2.577  -0.731  -0.170
+   57SER     CA  797   2.759  -0.836  -0.192
+   57SER     HA  798   2.785  -0.901  -0.273
+   57SER     CB  799   2.829  -0.699  -0.213
+   57SER    HB1  800   2.798  -0.630  -0.131
+   57SER    HB2  801   2.793  -0.655  -0.309
+   57SER     OG  802   2.971  -0.711  -0.215
+   57SER    HG1  803   2.993  -0.761  -0.295
+   57SER      C  804   2.811  -0.899  -0.064
+   57SER      O  805   2.783  -0.852   0.046
+   58SER      N  806   2.889  -1.007  -0.073
+   58SER     HN  807   2.920  -1.045  -0.160
+   58SER     CA  808   2.932  -1.080   0.045
+   58SER     HA  809   2.850  -1.084   0.116
+   58SER     CB  810   2.969  -1.227   0.010
+   58SER    HB1  811   2.877  -1.277  -0.026
+   58SER    HB2  812   3.003  -1.281   0.102
+   58SER     OG  813   3.069  -1.236  -0.092
+   58SER    HG1  814   3.093  -1.329  -0.093
+   58SER      C  815   3.048  -1.015   0.118
+   58SER      O  816   3.070  -1.036   0.237
+   59THR      N  817   3.124  -0.928   0.048
+   59THR     HN  818   3.107  -0.912  -0.049
+   59THR     CA  819   3.240  -0.861   0.105
+   59THR     HA  820   3.281  -0.920   0.186
+   59THR     CB  821   3.350  -0.839   0.001
+   59THR     HB  822   3.431  -0.775   0.041
+   59THR    OG1  823   3.295  -0.782  -0.118
+   59THR    HG1  824   3.366  -0.741  -0.168
+   59THR    CG2  825   3.411  -0.975  -0.037
+   59THR   HG21  826   3.333  -1.042  -0.082
+   59THR   HG22  827   3.451  -1.025   0.054
+   59THR   HG23  828   3.493  -0.962  -0.110
+   59THR      C  829   3.205  -0.725   0.163
+   59THR      O  830   3.271  -0.676   0.254
+   60LEU      N  831   3.098  -0.660   0.112
+   60LEU     HN  832   3.053  -0.695   0.030
+   60LEU     CA  833   3.050  -0.535   0.168
+   60LEU     HA  834   3.130  -0.484   0.219
+   60LEU     CB  835   2.992  -0.442   0.058
+   60LEU    HB1  836   2.942  -0.353   0.104
+   60LEU    HB2  837   2.915  -0.498   0.001
+   60LEU     CG  838   3.098  -0.388  -0.041
+   60LEU     HG  839   3.159  -0.475  -0.077
+   60LEU    CD1  840   3.030  -0.326  -0.164
+   60LEU   HD11  841   2.968  -0.238  -0.134
+   60LEU   HD12  842   2.963  -0.400  -0.213
+   60LEU   HD13  843   3.105  -0.292  -0.238
+   60LEU    CD2  844   3.191  -0.286   0.026
+   60LEU   HD21  845   3.244  -0.331   0.113
+   60LEU   HD22  846   3.132  -0.199   0.063
+   60LEU   HD23  847   3.267  -0.250  -0.045
+   60LEU      C  848   2.942  -0.558   0.271
+   60LEU      O  849   2.922  -0.476   0.360
+   61CYS      N  850   2.874  -0.675   0.264
+   61CYS     HN  851   2.893  -0.741   0.192
+   61CYS     CA  852   2.765  -0.710   0.353
+   61CYS     HA  853   2.767  -0.647   0.440
+   61CYS     CB  854   2.628  -0.690   0.283
+   61CYS    HB1  855   2.546  -0.724   0.350
+   61CYS    HB2  856   2.621  -0.753   0.191
+   61CYS     SG  857   2.603  -0.516   0.238
+   61CYS      C  858   2.780  -0.853   0.402
+   61CYS      O  859   2.703  -0.942   0.361
+   62PRO      N  860   2.875  -0.885   0.489
+   62PRO     CD  861   2.985  -0.797   0.531
+   62PRO    HD1  862   2.947  -0.698   0.565
+   62PRO    HD2  863   3.055  -0.784   0.445
+   62PRO     CA  864   2.884  -1.016   0.552
+   62PRO     HA  865   2.868  -1.093   0.477
+   62PRO     CB  866   3.026  -1.018   0.610
+   62PRO    HB1  867   3.096  -1.052   0.529
+   62PRO    HB2  868   3.038  -1.086   0.697
+   62PRO     CG  869   3.056  -0.872   0.644
+   62PRO    HG1  870   3.011  -0.846   0.742
+   62PRO    HG2  871   3.165  -0.851   0.647
+   62PRO      C  872   2.777  -1.035   0.660
+   62PRO      O  873   2.736  -1.147   0.686
+   63ASP      N  874   2.740  -0.926   0.730
+   63ASP     HN  875   2.781  -0.838   0.711
+   63ASP     CA  876   2.642  -0.925   0.836
+   63ASP     HA  877   2.570  -1.005   0.818
+   63ASP     CB  878   2.708  -0.944   0.976
+   63ASP    HB1  879   2.753  -1.045   0.980
+   63ASP    HB2  880   2.630  -0.941   1.055
+   63ASP     CG  881   2.816  -0.842   1.007
+   63ASP    OD1  882   2.935  -0.876   1.005
+   63ASP    OD2  883   2.782  -0.720   1.031
+   63ASP      C  884   2.563  -0.796   0.828
+   63ASP      O  885   2.601  -0.701   0.758
+   64ASN      N  886   2.449  -0.792   0.898
+   64ASN     HN  887   2.422  -0.871   0.955
+   64ASN     CA  888   2.355  -0.681   0.896
+   64ASN     HA  889   2.323  -0.668   0.793
+   64ASN     CB  890   2.232  -0.714   0.984
+   64ASN    HB1  891   2.162  -0.628   0.988
+   64ASN    HB2  892   2.265  -0.738   1.087
+   64ASN     CG  893   2.153  -0.831   0.927
+   64ASN    OD1  894   2.163  -0.867   0.810
+   64ASN    ND2  895   2.068  -0.892   1.013
+   64ASN   HD21  896   2.017  -0.970   0.979
+   64ASN   HD22  897   2.076  -0.874   1.111
+   64ASN      C  898   2.412  -0.548   0.941
+   64ASN      O  899   2.389  -0.444   0.876
+   65GLU      N  900   2.489  -0.544   1.051
+   65GLU     HN  901   2.510  -0.629   1.102
+   65GLU     CA  902   2.555  -0.424   1.097
+   65GLU     HA  903   2.480  -0.346   1.103
+   65GLU     CB  904   2.618  -0.439   1.238
+   65GLU    HB1  905   2.690  -0.356   1.251
+   65GLU    HB2  906   2.678  -0.533   1.245
+   65GLU     CG  907   2.519  -0.429   1.356
+   65GLU    HG1  908   2.479  -0.530   1.380
+   65GLU    HG2  909   2.433  -0.364   1.329
+   65GLU     CD  910   2.586  -0.370   1.480
+   65GLU    OE1  911   2.639  -0.252   1.461
+   65GLU    OE2  912   2.595  -0.430   1.585
+   65GLU      C  913   2.662  -0.373   1.004
+   65GLU      O  914   2.668  -0.252   0.974
+   66THR      N  915   2.751  -0.460   0.956
+   66THR     HN  916   2.746  -0.558   0.984
+   66THR     CA  917   2.862  -0.424   0.868
+   66THR     HA  918   2.915  -0.343   0.916
+   66THR     CB  919   2.961  -0.538   0.847
+   66THR     HB  920   2.908  -0.627   0.807
+   66THR    OG1  921   3.019  -0.571   0.972
+   66THR    HG1  922   2.958  -0.640   1.008
+   66THR    CG2  923   3.075  -0.498   0.752
+   66THR   HG21  924   3.124  -0.404   0.786
+   66THR   HG22  925   3.038  -0.483   0.649
+   66THR   HG23  926   3.151  -0.579   0.749
+   66THR      C  927   2.814  -0.367   0.737
+   66THR      O  928   2.866  -0.265   0.689
+   67CYS      N  929   2.710  -0.427   0.679
+   67CYS     HN  930   2.670  -0.509   0.722
+   67CYS     CA  931   2.645  -0.380   0.558
+   67CYS     HA  932   2.718  -0.382   0.478
+   67CYS     CB  933   2.529  -0.477   0.527
+   67CYS    HB1  934   2.452  -0.468   0.606
+   67CYS    HB2  935   2.568  -0.581   0.535
+   67CYS     SG  936   2.455  -0.458   0.362
+   67CYS      C  937   2.590  -0.239   0.568
+   67CYS      O  938   2.612  -0.155   0.481
+   68ALA      N  939   2.520  -0.206   0.678
+   68ALA     HN  940   2.504  -0.274   0.749
+   68ALA     CA  941   2.465  -0.073   0.700
+   68ALA     HA  942   2.401  -0.049   0.617
+   68ALA     CB  943   2.383  -0.074   0.830
+   68ALA    HB1  944   2.445  -0.100   0.918
+   68ALA    HB2  945   2.303  -0.150   0.820
+   68ALA    HB3  946   2.335   0.024   0.847
+   68ALA      C  947   2.570   0.037   0.710
+   68ALA      O  948   2.552   0.148   0.657
+   69LYS      N  949   2.681   0.008   0.779
+   69LYS     HN  950   2.689  -0.083   0.820
+   69LYS     CA  951   2.797   0.095   0.791
+   69LYS     HA  952   2.761   0.191   0.826
+   69LYS     CB  953   2.899   0.039   0.894
+   69LYS    HB1  954   2.988   0.106   0.897
+   69LYS    HB2  955   2.933  -0.061   0.857
+   69LYS     CG  956   2.841   0.024   1.036
+   69LYS    HG1  957   2.749  -0.038   1.029
+   69LYS    HG2  958   2.809   0.124   1.074
+   69LYS     CD  959   2.938  -0.042   1.136
+   69LYS    HD1  960   2.998   0.034   1.189
+   69LYS    HD2  961   3.010  -0.102   1.075
+   69LYS     CE  962   2.874  -0.139   1.237
+   69LYS    HE1  963   2.951  -0.183   1.304
+   69LYS    HE2  964   2.827  -0.222   1.180
+   69LYS     NZ  965   2.769  -0.076   1.322
+   69LYS    HZ1  966   2.693  -0.037   1.263
+   69LYS    HZ2  967   2.805  -0.003   1.386
+   69LYS    HZ3  968   2.723  -0.150   1.384
+   69LYS      C  969   2.868   0.122   0.659
+   69LYS      O  970   2.914   0.234   0.632
+   70ASN      N  971   2.880   0.019   0.573
+   70ASN     HN  972   2.842  -0.071   0.598
+   70ASN     CA  973   2.956   0.024   0.450
+   70ASN     HA  974   3.041   0.089   0.462
+   70ASN     CB  975   3.002  -0.119   0.410
+   70ASN    HB1  976   3.044  -0.119   0.307
+   70ASN    HB2  977   2.916  -0.189   0.414
+   70ASN     CG  978   3.112  -0.173   0.502
+   70ASN    OD1  979   3.163  -0.109   0.595
+   70ASN    ND2  980   3.153  -0.298   0.472
+   70ASN   HD21  981   3.099  -0.353   0.410
+   70ASN   HD22  982   3.232  -0.334   0.523
+   70ASN      C  983   2.876   0.077   0.332
+   70ASN      O  984   2.934   0.109   0.228
+   71CYS      N  985   2.742   0.086   0.343
+   71CYS     HN  986   2.697   0.062   0.428
+   71CYS     CA  987   2.656   0.108   0.228
+   71CYS     HA  988   2.717   0.134   0.142
+   71CYS     CB  989   2.575  -0.020   0.190
+   71CYS    HB1  990   2.516  -0.002   0.099
+   71CYS    HB2  991   2.505  -0.043   0.273
+   71CYS     SG  992   2.684  -0.164   0.165
+   71CYS      C  993   2.561   0.223   0.248
+   71CYS      O  994   2.530   0.270   0.359
+   72CYS      N  995   2.511   0.277   0.137
+   72CYS     HN  996   2.537   0.242   0.046
+   72CYS     CA  997   2.427   0.393   0.137
+   72CYS     HA  998   2.374   0.400   0.230
+   72CYS     CB  999   2.509   0.522   0.114
+   72CYS    HB1 1000   2.574   0.537   0.203
+   72CYS    HB2 1001   2.441   0.610   0.108
+   72CYS     SG 1002   2.617   0.518  -0.032
+   72CYS      C 1003   2.321   0.380   0.030
+   72CYS      O 1004   2.333   0.301  -0.063
+   73LEU      N 1005   2.213   0.458   0.047
+   73LEU     HN 1006   2.206   0.518   0.126
+   73LEU     CA 1007   2.108   0.473  -0.051
+   73LEU     HA 1008   2.110   0.390  -0.121
+   73LEU     CB 1009   1.969   0.484   0.016
+   73LEU    HB1 1010   1.891   0.498  -0.062
+   73LEU    HB2 1011   1.968   0.574   0.082
+   73LEU     CG 1012   1.930   0.362   0.102
+   73LEU     HG 1013   2.013   0.340   0.174
+   73LEU    CD1 1014   1.805   0.394   0.185
+   73LEU   HD11 1015   1.719   0.417   0.119
+   73LEU   HD12 1016   1.822   0.482   0.251
+   73LEU   HD13 1017   1.777   0.307   0.248
+   73LEU    CD2 1018   1.907   0.236   0.016
+   73LEU   HD21 1019   1.999   0.209  -0.039
+   73LEU   HD22 1020   1.826   0.253  -0.057
+   73LEU   HD23 1021   1.878   0.150   0.080
+   73LEU      C 1022   2.137   0.600  -0.128
+   73LEU      O 1023   2.188   0.697  -0.072
+   74ASP      N 1024   2.103   0.602  -0.258
+   74ASP     HN 1025   2.062   0.523  -0.302
+   74ASP     CA 1026   2.131   0.716  -0.343
+   74ASP     HA 1027   2.161   0.800  -0.282
+   74ASP     CB 1028   2.248   0.684  -0.442
+   74ASP    HB1 1029   2.212   0.631  -0.532
+   74ASP    HB2 1030   2.320   0.617  -0.390
+   74ASP     CG 1031   2.325   0.810  -0.483
+   74ASP    OD1 1032   2.259   0.899  -0.546
+   74ASP    OD2 1033   2.445   0.826  -0.456
+   74ASP      C 1034   2.000   0.757  -0.410
+   74ASP      O 1035   1.897   0.689  -0.401
+   75GLY      N 1036   2.001   0.877  -0.471
+   75GLY     HN 1037   2.092   0.919  -0.481
+   75GLY     CA 1038   1.890   0.943  -0.537
+   75GLY    HA1 1039   1.930   1.031  -0.585
+   75GLY    HA2 1040   1.818   0.967  -0.461
+   75GLY      C 1041   1.818   0.865  -0.644
+   75GLY      O 1042   1.864   0.765  -0.696
+   76ALA      N 1043   1.698   0.915  -0.679
+   76ALA     HN 1044   1.663   0.997  -0.634
+   76ALA     CA 1045   1.609   0.850  -0.771
+   76ALA     HA 1046   1.658   0.765  -0.817
+   76ALA     CB 1047   1.485   0.800  -0.693
+   76ALA    HB1 1048   1.439   0.885  -0.637
+   76ALA    HB2 1049   1.515   0.723  -0.619
+   76ALA    HB3 1050   1.409   0.756  -0.760
+   76ALA      C 1051   1.567   0.944  -0.883
+   76ALA      O 1052   1.528   1.059  -0.863
+   77ALA      N 1053   1.573   0.897  -1.009
+   77ALA     HN 1054   1.607   0.805  -1.027
+   77ALA     CA 1055   1.521   0.971  -1.121
+   77ALA     HA 1056   1.521   1.077  -1.099
+   77ALA     CB 1057   1.603   0.949  -1.250
+   77ALA    HB1 1058   1.612   0.841  -1.273
+   77ALA    HB2 1059   1.704   0.992  -1.236
+   77ALA    HB3 1060   1.555   1.001  -1.335
+   77ALA      C 1061   1.377   0.928  -1.143
+   77ALA      O 1062   1.347   0.835  -1.218
+   78TYR      N 1063   1.283   0.997  -1.076
+   78TYR     HN 1064   1.312   1.069  -1.014
+   78TYR     CA 1065   1.145   0.956  -1.066
+   78TYR     HA 1066   1.141   0.860  -1.015
+   78TYR     CB 1067   1.064   1.060  -0.985
+   78TYR    HB1 1068   0.954   1.046  -0.996
+   78TYR    HB2 1069   1.088   1.163  -1.019
+   78TYR     CG 1070   1.097   1.048  -0.839
+   78TYR    CD1 1071   1.212   1.109  -0.785
+   78TYR    HD1 1072   1.280   1.165  -0.847
+   78TYR    CE1 1073   1.243   1.094  -0.649
+   78TYR    HE1 1074   1.333   1.138  -0.609
+   78TYR     CZ 1075   1.157   1.024  -0.565
+   78TYR     OH 1076   1.188   1.007  -0.428
+   78TYR     HH 1077   1.270   1.057  -0.407
+   78TYR    CD2 1078   1.010   0.979  -0.753
+   78TYR    HD2 1079   0.921   0.933  -0.792
+   78TYR    CE2 1080   1.039   0.968  -0.617
+   78TYR    HE2 1081   0.971   0.915  -0.551
+   78TYR      C 1082   1.075   0.935  -1.199
+   78TYR      O 1083   1.010   0.832  -1.221
+   79ALA      N 1084   1.089   1.029  -1.293
+   79ALA     HN 1085   1.146   1.109  -1.275
+   79ALA     CA 1086   1.014   1.023  -1.416
+   79ALA     HA 1087   0.913   0.992  -1.393
+   79ALA     CB 1088   1.010   1.164  -1.478
+   79ALA    HB1 1089   1.110   1.195  -1.516
+   79ALA    HB2 1090   0.978   1.238  -1.403
+   79ALA    HB3 1091   0.937   1.166  -1.561
+   79ALA      C 1092   1.069   0.924  -1.516
+   79ALA      O 1093   0.995   0.849  -1.580
+   80SER      N 1094   1.202   0.920  -1.534
+   80SER     HN 1095   1.263   0.975  -1.477
+   80SER     CA 1096   1.263   0.843  -1.641
+   80SER     HA 1097   1.194   0.837  -1.725
+   80SER     CB 1098   1.394   0.908  -1.692
+   80SER    HB1 1099   1.367   1.003  -1.741
+   80SER    HB2 1100   1.444   0.844  -1.768
+   80SER     OG 1101   1.483   0.937  -1.584
+   80SER    HG1 1102   1.506   0.853  -1.542
+   80SER      C 1103   1.295   0.700  -1.604
+   80SER      O 1104   1.314   0.617  -1.692
+   81THR      N 1105   1.302   0.669  -1.474
+   81THR     HN 1106   1.293   0.738  -1.403
+   81THR     CA 1107   1.339   0.535  -1.430
+   81THR     HA 1108   1.367   0.472  -1.513
+   81THR     CB 1109   1.453   0.536  -1.330
+   81THR     HB 1110   1.428   0.600  -1.242
+   81THR    OG1 1111   1.569   0.591  -1.393
+   81THR    HG1 1112   1.598   0.521  -1.451
+   81THR    CG2 1113   1.490   0.396  -1.280
+   81THR   HG21 1114   1.517   0.329  -1.365
+   81THR   HG22 1115   1.407   0.349  -1.224
+   81THR   HG23 1116   1.576   0.401  -1.210
+   81THR      C 1117   1.221   0.468  -1.365
+   81THR      O 1118   1.196   0.351  -1.388
+   82TYR      N 1119   1.146   0.543  -1.282
+   82TYR     HN 1120   1.166   0.638  -1.263
+   82TYR     CA 1121   1.043   0.482  -1.199
+   82TYR     HA 1122   1.054   0.375  -1.199
+   82TYR     CB 1123   1.057   0.532  -1.052
+   82TYR    HB1 1124   0.980   0.484  -0.988
+   82TYR    HB2 1125   1.045   0.642  -1.045
+   82TYR     CG 1126   1.193   0.492  -1.000
+   82TYR    CD1 1127   1.219   0.358  -0.970
+   82TYR    HD1 1128   1.139   0.286  -0.981
+   82TYR    CE1 1129   1.345   0.316  -0.926
+   82TYR    HE1 1130   1.364   0.212  -0.905
+   82TYR     CZ 1131   1.448   0.410  -0.911
+   82TYR     OH 1132   1.575   0.369  -0.867
+   82TYR     HH 1133   1.566   0.276  -0.840
+   82TYR    CD2 1134   1.297   0.586  -0.983
+   82TYR    HD2 1135   1.278   0.690  -1.005
+   82TYR    CE2 1136   1.424   0.545  -0.940
+   82TYR    HE2 1137   1.503   0.616  -0.928
+   82TYR      C 1138   0.904   0.510  -1.250
+   82TYR      O 1139   0.806   0.454  -1.198
+   83GLY      N 1140   0.888   0.594  -1.354
+   83GLY     HN 1141   0.968   0.638  -1.393
+   83GLY     CA 1142   0.758   0.624  -1.415
+   83GLY    HA1 1143   0.709   0.530  -1.439
+   83GLY    HA2 1144   0.776   0.685  -1.502
+   83GLY      C 1145   0.666   0.701  -1.325
+   83GLY      O 1146   0.543   0.691  -1.334
+   84VAL      N 1147   0.723   0.783  -1.236
+   84VAL     HN 1148   0.823   0.788  -1.232
+   84VAL     CA 1149   0.650   0.859  -1.138
+   84VAL     HA 1150   0.547   0.827  -1.134
+   84VAL     CB 1151   0.710   0.845  -0.998
+   84VAL     HB 1152   0.819   0.869  -1.002
+   84VAL    CG1 1153   0.641   0.938  -0.896
+   84VAL   HG11 1154   0.531   0.920  -0.897
+   84VAL   HG12 1155   0.660   1.045  -0.919
+   84VAL   HG13 1156   0.678   0.918  -0.794
+   84VAL    CG2 1157   0.695   0.698  -0.953
+   84VAL   HG21 1158   0.748   0.629  -1.022
+   84VAL   HG22 1159   0.588   0.668  -0.951
+   84VAL   HG23 1160   0.737   0.683  -0.852
+   84VAL      C 1161   0.652   1.004  -1.181
+   84VAL      O 1162   0.756   1.063  -1.211
+   85THR      N 1163   0.533   1.066  -1.187
+   85THR     HN 1164   0.449   1.018  -1.160
+   85THR     CA 1165   0.521   1.204  -1.230
+   85THR     HA 1166   0.611   1.257  -1.206
+   85THR     CB 1167   0.489   1.224  -1.379
+   85THR     HB 1168   0.458   1.329  -1.398
+   85THR    OG1 1169   0.386   1.139  -1.425
+   85THR    HG1 1170   0.409   1.051  -1.392
+   85THR    CG2 1171   0.614   1.197  -1.465
+   85THR   HG21 1172   0.646   1.091  -1.456
+   85THR   HG22 1173   0.698   1.262  -1.434
+   85THR   HG23 1174   0.591   1.216  -1.572
+   85THR      C 1175   0.411   1.269  -1.150
+   85THR      O 1176   0.318   1.204  -1.103
+   86THR      N 1177   0.421   1.401  -1.131
+   86THR     HN 1178   0.496   1.454  -1.168
+   86THR     CA 1179   0.321   1.478  -1.059
+   86THR     HA 1180   0.230   1.420  -1.052
+   86THR     CB 1181   0.359   1.525  -0.919
+   86THR     HB 1182   0.279   1.588  -0.874
+   86THR    OG1 1183   0.481   1.600  -0.915
+   86THR    HG1 1184   0.485   1.629  -0.822
+   86THR    CG2 1185   0.375   1.402  -0.827
+   86THR   HG21 1186   0.453   1.332  -0.865
+   86THR   HG22 1187   0.279   1.347  -0.822
+   86THR   HG23 1188   0.402   1.433  -0.724
+   86THR      C 1189   0.288   1.600  -1.142
+   86THR      O 1190   0.360   1.638  -1.234
+   87SER      N 1191   0.174   1.663  -1.109
+   87SER     HN 1192   0.117   1.625  -1.036
+   87SER     CA 1193   0.130   1.785  -1.175
+   87SER     HA 1194   0.211   1.855  -1.177
+   87SER     CB 1195   0.074   1.762  -1.318
+   87SER    HB1 1196  -0.013   1.693  -1.316
+   87SER    HB2 1197   0.153   1.714  -1.379
+   87SER     OG 1198   0.037   1.885  -1.383
+   87SER    HG1 1199  -0.032   1.927  -1.330
+   87SER      C 1200   0.020   1.842  -1.089
+   87SER      O 1201  -0.095   1.795  -1.092
+   88GLY      N 1202   0.049   1.945  -1.009
+   88GLY     HN 1203   0.142   1.985  -1.012
+   88GLY     CA 1204  -0.045   2.001  -0.913
+   88GLY    HA1 1205  -0.135   2.028  -0.967
+   88GLY    HA2 1206   0.002   2.087  -0.867
+   88GLY      C 1207  -0.083   1.907  -0.801
+   88GLY      O 1208  -0.000   1.865  -0.721
+   89ASN      N 1209  -0.212   1.870  -0.795
+   89ASN     HN 1210  -0.278   1.897  -0.865
+   89ASN     CA 1211  -0.267   1.782  -0.693
+   89ASN     HA 1212  -0.199   1.778  -0.609
+   89ASN     CB 1213  -0.404   1.836  -0.641
+   89ASN    HB1 1214  -0.386   1.935  -0.595
+   89ASN    HB2 1215  -0.442   1.767  -0.563
+   89ASN     CG 1216  -0.510   1.853  -0.751
+   89ASN    OD1 1217  -0.484   1.845  -0.871
+   89ASN    ND2 1218  -0.635   1.882  -0.709
+   89ASN   HD21 1219  -0.707   1.879  -0.778
+   89ASN   HD22 1220  -0.655   1.893  -0.612
+   89ASN      C 1221  -0.282   1.640  -0.746
+   89ASN      O 1222  -0.355   1.560  -0.691
+   90SER      N 1223  -0.214   1.609  -0.859
+   90SER     HN 1224  -0.156   1.678  -0.902
+   90SER     CA 1225  -0.223   1.481  -0.928
+   90SER     HA 1226  -0.293   1.417  -0.876
+   90SER     CB 1227  -0.269   1.498  -1.075
+   90SER    HB1 1228  -0.194   1.557  -1.132
+   90SER    HB2 1229  -0.364   1.557  -1.074
+   90SER     OG 1230  -0.296   1.375  -1.142
+   90SER    HG1 1231  -0.213   1.325  -1.148
+   90SER      C 1232  -0.089   1.410  -0.927
+   90SER      O 1233   0.016   1.473  -0.942
+   91LEU      N 1234  -0.094   1.277  -0.912
+   91LEU     HN 1235  -0.183   1.231  -0.900
+   91LEU     CA 1236   0.019   1.186  -0.910
+   91LEU     HA 1237   0.108   1.235  -0.946
+   91LEU     CB 1238   0.040   1.129  -0.767
+   91LEU    HB1 1239  -0.060   1.095  -0.731
+   91LEU    HB2 1240   0.072   1.212  -0.701
+   91LEU     CG 1241   0.138   1.011  -0.752
+   91LEU     HG 1242   0.109   0.929  -0.823
+   91LEU    CD1 1243   0.283   1.050  -0.784
+   91LEU   HD11 1244   0.320   1.126  -0.711
+   91LEU   HD12 1245   0.292   1.091  -0.886
+   91LEU   HD13 1246   0.348   0.961  -0.778
+   91LEU    CD2 1247   0.129   0.951  -0.611
+   91LEU   HD21 1248   0.026   0.915  -0.591
+   91LEU   HD22 1249   0.156   1.027  -0.535
+   91LEU   HD23 1250   0.198   0.864  -0.601
+   91LEU      C 1251  -0.013   1.072  -1.005
+   91LEU      O 1252  -0.120   1.011  -0.996
+   92SER      N 1253   0.077   1.041  -1.099
+   92SER     HN 1254   0.164   1.090  -1.106
+   92SER     CA 1255   0.060   0.928  -1.191
+   92SER     HA 1256  -0.029   0.872  -1.165
+   92SER     CB 1257   0.052   0.969  -1.340
+   92SER    HB1 1258   0.046   0.877  -1.404
+   92SER    HB2 1259   0.144   1.025  -1.368
+   92SER     OG 1260  -0.063   1.050  -1.367
+   92SER    HG1 1261  -0.141   0.997  -1.344
+   92SER      C 1262   0.178   0.836  -1.172
+   92SER      O 1263   0.291   0.880  -1.157
+   93ILE      N 1264   0.150   0.703  -1.170
+   93ILE     HN 1265   0.057   0.669  -1.182
+   93ILE     CA 1266   0.252   0.600  -1.158
+   93ILE     HA 1267   0.351   0.643  -1.167
+   93ILE     CB 1268   0.243   0.520  -1.027
+   93ILE     HB 1269   0.150   0.457  -1.028
+   93ILE    CG2 1270   0.365   0.424  -1.018
+   93ILE   HG21 1271   0.460   0.482  -1.020
+   93ILE   HG22 1272   0.367   0.352  -1.102
+   93ILE   HG23 1273   0.362   0.365  -0.924
+   93ILE    CG1 1274   0.232   0.612  -0.902
+   93ILE   HG11 1275   0.147   0.683  -0.916
+   93ILE   HG12 1276   0.325   0.671  -0.892
+   93ILE     CD 1277   0.204   0.535  -0.772
+   93ILE    HD1 1278   0.290   0.470  -0.744
+   93ILE    HD2 1279   0.115   0.470  -0.783
+   93ILE    HD3 1280   0.185   0.605  -0.688
+   93ILE      C 1281   0.232   0.506  -1.276
+   93ILE      O 1282   0.123   0.448  -1.290
+   94ASP      N 1283   0.333   0.488  -1.362
+   94ASP     HN 1284   0.419   0.539  -1.351
+   94ASP     CA 1285   0.328   0.398  -1.475
+   94ASP     HA 1286   0.224   0.383  -1.504
+   94ASP     CB 1287   0.406   0.449  -1.600
+   94ASP    HB1 1288   0.412   0.368  -1.676
+   94ASP    HB2 1289   0.508   0.478  -1.570
+   94ASP     CG 1290   0.340   0.566  -1.673
+   94ASP    OD1 1291   0.232   0.616  -1.630
+   94ASP    OD2 1292   0.395   0.602  -1.780
+   94ASP      C 1293   0.382   0.260  -1.435
+   94ASP      O 1294   0.479   0.248  -1.362
+   95PHE      N 1295   0.313   0.152  -1.479
+   95PHE     HN 1296   0.234   0.164  -1.540
+   95PHE     CA 1297   0.341   0.016  -1.437
+   95PHE     HA 1298   0.337   0.015  -1.328
+   95PHE     CB 1299   0.229  -0.075  -1.493
+   95PHE    HB1 1300   0.231  -0.069  -1.604
+   95PHE    HB2 1301   0.130  -0.039  -1.458
+   95PHE     CG 1302   0.240  -0.220  -1.452
+   95PHE    CD1 1303   0.259  -0.256  -1.318
+   95PHE    HD1 1304   0.270  -0.181  -1.242
+   95PHE    CE1 1305   0.265  -0.391  -1.281
+   95PHE    HE1 1306   0.282  -0.420  -1.178
+   95PHE     CZ 1307   0.249  -0.491  -1.378
+   95PHE     HZ 1308   0.254  -0.595  -1.350
+   95PHE    CD2 1309   0.224  -0.321  -1.548
+   95PHE    HD2 1310   0.209  -0.294  -1.652
+   95PHE    CE2 1311   0.228  -0.456  -1.512
+   95PHE    HE2 1312   0.214  -0.533  -1.586
+   95PHE      C 1313   0.479  -0.038  -1.472
+   95PHE      O 1314   0.549  -0.093  -1.388
+   96VAL      N 1315   0.523  -0.020  -1.599
+   96VAL     HN 1316   0.467   0.029  -1.665
+   96VAL     CA 1317   0.652  -0.068  -1.643
+   96VAL     HA 1318   0.710  -0.100  -1.558
+   96VAL     CB 1319   0.645  -0.187  -1.739
+   96VAL     HB 1320   0.584  -0.158  -1.828
+   96VAL    CG1 1321   0.786  -0.230  -1.786
+   96VAL   HG11 1322   0.850  -0.251  -1.698
+   96VAL   HG12 1323   0.834  -0.153  -1.849
+   96VAL   HG13 1324   0.778  -0.324  -1.845
+   96VAL    CG2 1325   0.577  -0.306  -1.668
+   96VAL   HG21 1326   0.473  -0.280  -1.639
+   96VAL   HG22 1327   0.632  -0.333  -1.576
+   96VAL   HG23 1328   0.573  -0.395  -1.734
+   96VAL      C 1329   0.726   0.049  -1.702
+   96VAL      O 1330   0.673   0.132  -1.779
+   97THR      N 1331   0.852   0.066  -1.664
+   97THR     HN 1332   0.892   0.000  -1.599
+   97THR     CA 1333   0.937   0.169  -1.718
+   97THR     HA 1334   0.892   0.211  -1.807
+   97THR     CB 1335   0.966   0.282  -1.620
+   97THR     HB 1336   1.021   0.242  -1.532
+   97THR    OG1 1337   0.846   0.342  -1.573
+   97THR    HG1 1338   0.773   0.307  -1.624
+   97THR    CG2 1339   1.045   0.398  -1.683
+   97THR   HG21 1340   0.989   0.441  -1.769
+   97THR   HG22 1341   1.146   0.366  -1.716
+   97THR   HG23 1342   1.058   0.478  -1.607
+   97THR      C 1343   1.064   0.100  -1.760
+   97THR      O 1344   1.114   0.012  -1.694
+   98GLN      N 1345   1.116   0.138  -1.880
+   98GLN     HN 1346   1.076   0.211  -1.933
+   98GLN     CA 1347   1.241   0.087  -1.930
+   98GLN     HA 1348   1.284   0.015  -1.861
+   98GLN     CB 1349   1.226   0.022  -2.070
+   98GLN    HB1 1350   1.327   0.005  -2.115
+   98GLN    HB2 1351   1.173   0.094  -2.136
+   98GLN     CG 1352   1.148  -0.112  -2.071
+   98GLN    HG1 1353   1.118  -0.134  -2.175
+   98GLN    HG2 1354   1.057  -0.104  -2.008
+   98GLN     CD 1355   1.231  -0.231  -2.020
+   98GLN    OE1 1356   1.347  -0.219  -1.978
+   98GLN    NE2 1357   1.173  -0.352  -2.026
+   98GLN   HE21 1358   1.224  -0.428  -1.986
+   98GLN   HE22 1359   1.077  -0.362  -2.052
+   98GLN      C 1360   1.336   0.203  -1.939
+   98GLN      O 1361   1.301   0.313  -1.983
+   99SER      N 1362   1.459   0.183  -1.892
+   99SER     HN 1363   1.484   0.092  -1.857
+   99SER     CA 1364   1.563   0.284  -1.892
+   99SER     HA 1365   1.553   0.345  -1.980
+   99SER     CB 1366   1.558   0.375  -1.766
+   99SER    HB1 1367   1.463   0.433  -1.769
+   99SER    HB2 1368   1.642   0.448  -1.768
+   99SER     OG 1369   1.563   0.301  -1.644
+   99SER    HG1 1370   1.486   0.242  -1.642
+   99SER      C 1371   1.693   0.209  -1.908
+   99SER      O 1372   1.708   0.134  -2.003
+  100ALA      N 1373   1.789   0.221  -1.814
+  100ALA     HN 1374   1.774   0.279  -1.735
+  100ALA     CA 1375   1.905   0.134  -1.812
+  100ALA     HA 1376   1.945   0.122  -1.912
+  100ALA     CB 1377   2.013   0.192  -1.718
+  100ALA    HB1 1378   1.975   0.199  -1.614
+  100ALA    HB2 1379   2.044   0.293  -1.752
+  100ALA    HB3 1380   2.103   0.126  -1.717
+  100ALA      C 1381   1.868  -0.006  -1.762
+  100ALA      O 1382   1.939  -0.103  -1.783
+  101GLN      N 1383   1.752  -0.014  -1.695
+  101GLN     HN 1384   1.698   0.068  -1.677
+  101GLN     CA 1385   1.693  -0.137  -1.652
+  101GLN     HA 1386   1.714  -0.212  -1.727
+  101GLN     CB 1387   1.750  -0.188  -1.516
+  101GLN    HB1 1388   1.847  -0.236  -1.540
+  101GLN    HB2 1389   1.683  -0.266  -1.474
+  101GLN     CG 1390   1.779  -0.081  -1.406
+  101GLN    HG1 1391   1.868  -0.022  -1.437
+  101GLN    HG2 1392   1.803  -0.130  -1.310
+  101GLN     CD 1393   1.668   0.021  -1.381
+  101GLN    OE1 1394   1.690   0.141  -1.390
+  101GLN    NE2 1395   1.546  -0.027  -1.344
+  101GLN   HE21 1396   1.473   0.038  -1.331
+  101GLN   HE22 1397   1.529  -0.125  -1.338
+  101GLN      C 1398   1.542  -0.126  -1.652
+  101GLN      O 1399   1.486  -0.014  -1.656
+  102LYS      N 1400   1.473  -0.240  -1.654
+  102LYS     HN 1401   1.522  -0.327  -1.666
+  102LYS     CA 1402   1.332  -0.252  -1.627
+  102LYS     HA 1403   1.282  -0.178  -1.687
+  102LYS     CB 1404   1.279  -0.391  -1.668
+  102LYS    HB1 1405   1.335  -0.469  -1.611
+  102LYS    HB2 1406   1.303  -0.405  -1.776
+  102LYS     CG 1407   1.128  -0.414  -1.647
+  102LYS    HG1 1408   1.070  -0.335  -1.698
+  102LYS    HG2 1409   1.105  -0.410  -1.538
+  102LYS     CD 1410   1.085  -0.552  -1.699
+  102LYS    HD1 1411   1.158  -0.627  -1.661
+  102LYS    HD2 1412   1.091  -0.551  -1.810
+  102LYS     CE 1413   0.944  -0.593  -1.656
+  102LYS    HE1 1414   0.865  -0.532  -1.705
+  102LYS    HE2 1415   0.933  -0.583  -1.546
+  102LYS     NZ 1416   0.922  -0.735  -1.690
+  102LYS    HZ1 1417   0.998  -0.791  -1.646
+  102LYS    HZ2 1418   0.914  -0.753  -1.791
+  102LYS    HZ3 1419   0.835  -0.770  -1.639
+  102LYS      C 1420   1.300  -0.221  -1.481
+  102LYS      O 1421   1.368  -0.264  -1.390
+  103ASN      N 1422   1.192  -0.143  -1.462
+  103ASN     HN 1423   1.143  -0.106  -1.541
+  103ASN     CA 1424   1.136  -0.112  -1.334
+  103ASN     HA 1425   1.184  -0.168  -1.255
+  103ASN     CB 1426   1.146   0.041  -1.308
+  103ASN    HB1 1427   1.109   0.096  -1.396
+  103ASN    HB2 1428   1.253   0.068  -1.292
+  103ASN     CG 1429   1.069   0.083  -1.183
+  103ASN    OD1 1430   1.118   0.057  -1.072
+  103ASN    ND2 1431   0.952   0.147  -1.199
+  103ASN   HD21 1432   0.895   0.164  -1.118
+  103ASN   HD22 1433   0.916   0.168  -1.290
+  103ASN      C 1434   0.992  -0.157  -1.340
+  103ASN      O 1435   0.929  -0.147  -1.446
+  104VAL      N 1436   0.938  -0.206  -1.227
+  104VAL     HN 1437   0.990  -0.216  -1.143
+  104VAL     CA 1438   0.798  -0.239  -1.214
+  104VAL     HA 1439   0.744  -0.208  -1.302
+  104VAL     CB 1440   0.775  -0.388  -1.194
+  104VAL     HB 1441   0.825  -0.424  -1.101
+  104VAL    CG1 1442   0.624  -0.418  -1.184
+  104VAL   HG11 1443   0.569  -0.379  -1.273
+  104VAL   HG12 1444   0.579  -0.374  -1.093
+  104VAL   HG13 1445   0.607  -0.528  -1.180
+  104VAL    CG2 1446   0.835  -0.462  -1.314
+  104VAL   HG21 1447   0.945  -0.449  -1.321
+  104VAL   HG22 1448   0.788  -0.428  -1.409
+  104VAL   HG23 1449   0.816  -0.571  -1.302
+  104VAL      C 1450   0.744  -0.159  -1.097
+  104VAL      O 1451   0.794  -0.167  -0.985
+  105GLY      N 1452   0.642  -0.075  -1.124
+  105GLY     HN 1453   0.608  -0.072  -1.218
+  105GLY     CA 1454   0.573   0.009  -1.026
+  105GLY    HA1 1455   0.520  -0.058  -0.961
+  105GLY    HA2 1456   0.508   0.075  -1.082
+  105GLY      C 1457   0.659   0.098  -0.938
+  105GLY      O 1458   0.773   0.130  -0.964
+  106ALA      N 1459   0.596   0.144  -0.827
+  106ALA     HN 1460   0.504   0.116  -0.805
+  106ALA     CA 1461   0.663   0.225  -0.729
+  106ALA     HA 1462   0.761   0.184  -0.710
+  106ALA     CB 1463   0.675   0.373  -0.773
+  106ALA    HB1 1464   0.575   0.417  -0.791
+  106ALA    HB2 1465   0.733   0.380  -0.867
+  106ALA    HB3 1466   0.727   0.434  -0.695
+  106ALA      C 1467   0.584   0.218  -0.601
+  106ALA      O 1468   0.465   0.185  -0.602
+  107ARG      N 1469   0.648   0.250  -0.488
+  107ARG     HN 1470   0.746   0.271  -0.488
+  107ARG     CA 1471   0.581   0.270  -0.362
+  107ARG     HA 1472   0.475   0.279  -0.377
+  107ARG     CB 1473   0.610   0.156  -0.262
+  107ARG    HB1 1474   0.719   0.145  -0.247
+  107ARG    HB2 1475   0.574   0.062  -0.309
+  107ARG     CG 1476   0.540   0.173  -0.125
+  107ARG    HG1 1477   0.433   0.201  -0.144
+  107ARG    HG2 1478   0.586   0.256  -0.068
+  107ARG     CD 1479   0.538   0.045  -0.039
+  107ARG    HD1 1480   0.483  -0.035  -0.094
+  107ARG    HD2 1481   0.485   0.066   0.057
+  107ARG     NE 1482   0.678   0.007  -0.007
+  107ARG     HE 1483   0.732   0.072   0.049
+  107ARG     CZ 1484   0.729  -0.117  -0.007
+  107ARG    NH1 1485   0.658  -0.220  -0.060
+  107ARG   HH11 1486   0.575  -0.202  -0.107
+  107ARG   HH12 1487   0.706  -0.308  -0.064
+  107ARG    NH2 1488   0.844  -0.143   0.036
+  107ARG   HH21 1489   0.910  -0.067   0.057
+  107ARG   HH22 1490   0.880  -0.236   0.025
+  107ARG      C 1491   0.633   0.403  -0.311
+  107ARG      O 1492   0.751   0.427  -0.302
+  108LEU      N 1493   0.537   0.496  -0.286
+  108LEU     HN 1494   0.440   0.474  -0.293
+  108LEU     CA 1495   0.566   0.635  -0.262
+  108LEU     HA 1496   0.673   0.650  -0.253
+  108LEU     CB 1497   0.507   0.724  -0.374
+  108LEU    HB1 1498   0.523   0.831  -0.351
+  108LEU    HB2 1499   0.397   0.705  -0.377
+  108LEU     CG 1500   0.562   0.695  -0.515
+  108LEU     HG 1501   0.561   0.585  -0.533
+  108LEU    CD1 1502   0.471   0.757  -0.622
+  108LEU   HD11 1503   0.469   0.868  -0.611
+  108LEU   HD12 1504   0.368   0.718  -0.611
+  108LEU   HD13 1505   0.507   0.732  -0.723
+  108LEU    CD2 1506   0.705   0.747  -0.531
+  108LEU   HD21 1507   0.771   0.698  -0.457
+  108LEU   HD22 1508   0.710   0.856  -0.516
+  108LEU   HD23 1509   0.744   0.723  -0.633
+  108LEU      C 1510   0.503   0.677  -0.131
+  108LEU      O 1511   0.393   0.633  -0.097
+  109TYR      N 1512   0.570   0.765  -0.056
+  109TYR     HN 1513   0.661   0.796  -0.085
+  109TYR     CA 1514   0.520   0.816   0.070
+  109TYR     HA 1515   0.425   0.771   0.094
+  109TYR     CB 1516   0.621   0.794   0.186
+  109TYR    HB1 1517   0.577   0.822   0.284
+  109TYR    HB2 1518   0.712   0.854   0.169
+  109TYR     CG 1519   0.660   0.649   0.192
+  109TYR    CD1 1520   0.562   0.552   0.214
+  109TYR    HD1 1521   0.460   0.584   0.229
+  109TYR    CE1 1522   0.594   0.416   0.208
+  109TYR    HE1 1523   0.517   0.341   0.222
+  109TYR     CZ 1524   0.726   0.376   0.183
+  109TYR     OH 1525   0.759   0.240   0.166
+  109TYR     HH 1526   0.857   0.230   0.167
+  109TYR    CD2 1527   0.793   0.609   0.173
+  109TYR    HD2 1528   0.871   0.682   0.159
+  109TYR    CE2 1529   0.826   0.472   0.169
+  109TYR    HE2 1530   0.928   0.442   0.152
+  109TYR      C 1531   0.499   0.965   0.056
+  109TYR      O 1532   0.579   1.034  -0.006
+  110LEU      N 1533   0.389   1.018   0.113
+  110LEU     HN 1534   0.324   0.959   0.161
+  110LEU     CA 1535   0.372   1.163   0.120
+  110LEU     HA 1536   0.403   1.204   0.025
+  110LEU     CB 1537   0.224   1.205   0.143
+  110LEU    HB1 1538   0.195   1.174   0.246
+  110LEU    HB2 1539   0.161   1.148   0.072
+  110LEU     CG 1540   0.195   1.356   0.125
+  110LEU     HG 1541   0.268   1.415   0.185
+  110LEU    CD1 1542   0.206   1.400  -0.021
+  110LEU   HD11 1543   0.132   1.345  -0.083
+  110LEU   HD12 1544   0.307   1.379  -0.062
+  110LEU   HD13 1545   0.186   1.509  -0.031
+  110LEU    CD2 1546   0.056   1.391   0.180
+  110LEU   HD21 1547   0.049   1.364   0.287
+  110LEU   HD22 1548  -0.023   1.337   0.124
+  110LEU   HD23 1549   0.037   1.500   0.170
+  110LEU      C 1550   0.461   1.224   0.227
+  110LEU      O 1551   0.474   1.176   0.339
+  111MET      N 1552   0.524   1.338   0.194
+  111MET     HN 1553   0.516   1.375   0.101
+  111MET     CA 1554   0.615   1.407   0.281
+  111MET     HA 1555   0.632   1.348   0.370
+  111MET     CB 1556   0.751   1.432   0.214
+  111MET    HB1 1557   0.817   1.480   0.289
+  111MET    HB2 1558   0.740   1.501   0.128
+  111MET     CG 1559   0.823   1.306   0.165
+  111MET    HG1 1560   0.773   1.270   0.072
+  111MET    HG2 1561   0.814   1.224   0.240
+  111MET     SD 1562   0.999   1.339   0.131
+  111MET     CE 1563   1.060   1.299   0.297
+  111MET    HE1 1564   1.035   1.194   0.324
+  111MET    HE2 1565   1.015   1.366   0.373
+  111MET    HE3 1566   1.170   1.309   0.301
+  111MET      C 1567   0.561   1.540   0.327
+  111MET      O 1568   0.479   1.605   0.259
+  112ALA      N 1569   0.604   1.585   0.445
+  112ALA     HN 1570   0.669   1.529   0.498
+  112ALA     CA 1571   0.569   1.715   0.498
+  112ALA     HA 1572   0.481   1.753   0.448
+  112ALA     CB 1573   0.542   1.703   0.649
+  112ALA    HB1 1574   0.628   1.659   0.703
+  112ALA    HB2 1575   0.454   1.638   0.667
+  112ALA    HB3 1576   0.519   1.802   0.693
+  112ALA      C 1577   0.683   1.814   0.481
+  112ALA      O 1578   0.664   1.935   0.493
+  113SER      N 1579   0.803   1.763   0.450
+  113SER     HN 1580   0.817   1.664   0.440
+  113SER     CA 1581   0.921   1.842   0.422
+  113SER     HA 1582   0.895   1.918   0.351
+  113SER     CB 1583   0.989   1.902   0.549
+  113SER    HB1 1584   0.914   1.958   0.607
+  113SER    HB2 1585   1.066   1.976   0.515
+  113SER     OG 1586   1.054   1.805   0.632
+  113SER    HG1 1587   0.986   1.757   0.683
+  113SER      C 1588   1.015   1.745   0.355
+  113SER      O 1589   0.987   1.626   0.352
+  114ASP      N 1590   1.130   1.791   0.304
+  114ASP     HN 1591   1.151   1.888   0.304
+  114ASP     CA 1592   1.225   1.704   0.237
+  114ASP     HA 1593   1.172   1.648   0.160
+  114ASP     CB 1594   1.340   1.787   0.175
+  114ASP    HB1 1595   1.422   1.721   0.141
+  114ASP    HB2 1596   1.379   1.858   0.250
+  114ASP     CG 1597   1.299   1.865   0.052
+  114ASP    OD1 1598   1.197   1.834  -0.013
+  114ASP    OD2 1599   1.386   1.949   0.014
+  114ASP      C 1600   1.291   1.600   0.328
+  114ASP      O 1601   1.356   1.508   0.281
+  115THR      N 1602   1.281   1.617   0.462
+  115THR     HN 1603   1.235   1.698   0.498
+  115THR     CA 1604   1.340   1.523   0.556
+  115THR     HA 1605   1.386   1.441   0.502
+  115THR     CB 1606   1.450   1.585   0.644
+  115THR     HB 1607   1.487   1.514   0.721
+  115THR    OG1 1608   1.412   1.706   0.708
+  115THR    HG1 1609   1.324   1.693   0.745
+  115THR    CG2 1610   1.569   1.619   0.552
+  115THR   HG21 1611   1.538   1.693   0.476
+  115THR   HG22 1612   1.605   1.527   0.501
+  115THR   HG23 1613   1.651   1.663   0.612
+  115THR      C 1614   1.240   1.454   0.647
+  115THR      O 1615   1.281   1.381   0.735
+  116THR      N 1616   1.107   1.475   0.628
+  116THR     HN 1617   1.074   1.531   0.553
+  116THR     CA 1618   1.007   1.416   0.717
+  116THR     HA 1619   1.046   1.324   0.758
+  116THR     CB 1620   0.960   1.506   0.834
+  116THR     HB 1621   0.885   1.450   0.896
+  116THR    OG1 1622   0.901   1.628   0.789
+  116THR    HG1 1623   0.818   1.600   0.748
+  116THR    CG2 1624   1.077   1.542   0.926
+  116THR   HG21 1625   1.151   1.606   0.872
+  116THR   HG22 1626   1.128   1.450   0.961
+  116THR   HG23 1627   1.040   1.598   1.014
+  116THR      C 1628   0.881   1.378   0.643
+  116THR      O 1629   0.832   1.452   0.556
+  117TYR      N 1630   0.819   1.265   0.680
+  117TYR     HN 1631   0.859   1.206   0.751
+  117TYR     CA 1632   0.689   1.224   0.632
+  117TYR     HA 1633   0.691   1.233   0.525
+  117TYR     CB 1634   0.654   1.077   0.667
+  117TYR    HB1 1635   0.555   1.048   0.626
+  117TYR    HB2 1636   0.652   1.064   0.777
+  117TYR     CG 1637   0.754   0.983   0.606
+  117TYR    CD1 1638   0.778   0.980   0.468
+  117TYR    HD1 1639   0.726   1.049   0.402
+  117TYR    CE1 1640   0.868   0.887   0.414
+  117TYR    HE1 1641   0.887   0.885   0.308
+  117TYR     CZ 1642   0.932   0.795   0.497
+  117TYR     OH 1643   1.020   0.700   0.442
+  117TYR     HH 1644   1.042   0.635   0.511
+  117TYR    CD2 1645   0.819   0.890   0.688
+  117TYR    HD2 1646   0.798   0.888   0.794
+  117TYR    CE2 1647   0.908   0.797   0.634
+  117TYR    HE2 1648   0.956   0.724   0.699
+  117TYR      C 1649   0.575   1.312   0.679
+  117TYR      O 1650   0.585   1.387   0.777
+  118GLN      N 1651   0.462   1.309   0.606
+  118GLN     HN 1652   0.456   1.250   0.525
+  118GLN     CA 1653   0.340   1.372   0.649
+  118GLN     HA 1654   0.362   1.453   0.717
+  118GLN     CB 1655   0.261   1.427   0.527
+  118GLN    HB1 1656   0.237   1.342   0.459
+  118GLN    HB2 1657   0.329   1.495   0.472
+  118GLN     CG 1658   0.131   1.505   0.561
+  118GLN    HG1 1659   0.058   1.438   0.610
+  118GLN    HG2 1660   0.086   1.542   0.467
+  118GLN     CD 1661   0.160   1.625   0.650
+  118GLN    OE1 1662   0.211   1.728   0.603
+  118GLN    NE2 1663   0.129   1.615   0.780
+  118GLN   HE21 1664   0.083   1.533   0.814
+  118GLN   HE22 1665   0.163   1.690   0.838
+  118GLN      C 1666   0.254   1.271   0.724
+  118GLN      O 1667   0.209   1.172   0.669
+  119GLU      N 1668   0.229   1.300   0.853
+  119GLU     HN 1669   0.269   1.380   0.896
+  119GLU     CA 1670   0.147   1.217   0.939
+  119GLU     HA 1671   0.153   1.113   0.907
+  119GLU     CB 1672   0.191   1.229   1.087
+  119GLU    HB1 1673   0.126   1.164   1.151
+  119GLU    HB2 1674   0.178   1.334   1.120
+  119GLU     CG 1675   0.338   1.188   1.112
+  119GLU    HG1 1676   0.368   1.213   1.216
+  119GLU    HG2 1677   0.407   1.237   1.041
+  119GLU     CD 1678   0.359   1.037   1.099
+  119GLU    OE1 1679   0.257   0.964   1.093
+  119GLU    OE2 1680   0.477   0.998   1.100
+  119GLU      C 1681   0.004   1.262   0.932
+  119GLU      O 1682  -0.025   1.382   0.920
+  120PHE      N 1683  -0.090   1.167   0.942
+  120PHE     HN 1684  -0.062   1.070   0.941
+  120PHE     CA 1685  -0.232   1.192   0.943
+  120PHE     HA 1686  -0.251   1.298   0.957
+  120PHE     CB 1687  -0.302   1.142   0.814
+  120PHE    HB1 1688  -0.412   1.148   0.823
+  120PHE    HB2 1689  -0.274   1.036   0.796
+  120PHE     CG 1690  -0.260   1.222   0.694
+  120PHE    CD1 1691  -0.140   1.193   0.625
+  120PHE    HD1 1692  -0.074   1.116   0.663
+  120PHE    CE1 1693  -0.109   1.259   0.506
+  120PHE    HE1 1694  -0.018   1.233   0.454
+  120PHE     CZ 1695  -0.196   1.357   0.455
+  120PHE     HZ 1696  -0.172   1.408   0.363
+  120PHE    CD2 1697  -0.346   1.320   0.641
+  120PHE    HD2 1698  -0.439   1.340   0.692
+  120PHE    CE2 1699  -0.314   1.388   0.523
+  120PHE    HE2 1700  -0.382   1.462   0.483
+  120PHE      C 1701  -0.294   1.120   1.060
+  120PHE      O 1702  -0.275   1.002   1.080
+  121THR      N 1703  -0.374   1.192   1.141
+  121THR     HN 1704  -0.384   1.290   1.130
+  121THR     CA 1705  -0.452   1.130   1.247
+  121THR     HA 1706  -0.413   1.032   1.272
+  121THR     CB 1707  -0.455   1.214   1.374
+  121THR     HB 1708  -0.495   1.315   1.352
+  121THR    OG1 1709  -0.322   1.227   1.423
+  121THR    HG1 1710  -0.296   1.135   1.442
+  121THR    CG2 1711  -0.539   1.148   1.484
+  121THR   HG21 1712  -0.500   1.046   1.508
+  121THR   HG22 1713  -0.646   1.139   1.455
+  121THR   HG23 1714  -0.534   1.209   1.577
+  121THR      C 1715  -0.591   1.110   1.194
+  121THR      O 1716  -0.667   1.207   1.175
+  122LEU      N 1717  -0.627   0.986   1.160
+  122LEU     HN 1718  -0.565   0.909   1.177
+  122LEU     CA 1719  -0.749   0.957   1.087
+  122LEU     HA 1720  -0.762   1.032   1.010
+  122LEU     CB 1721  -0.738   0.818   1.018
+  122LEU    HB1 1722  -0.835   0.793   0.968
+  122LEU    HB2 1723  -0.719   0.741   1.095
+  122LEU     CG 1724  -0.628   0.807   0.910
+  122LEU     HG 1725  -0.530   0.836   0.955
+  122LEU    CD1 1726  -0.615   0.661   0.863
+  122LEU   HD11 1727  -0.709   0.627   0.817
+  122LEU   HD12 1728  -0.590   0.594   0.948
+  122LEU   HD13 1729  -0.533   0.652   0.788
+  122LEU    CD2 1730  -0.655   0.899   0.790
+  122LEU   HD21 1731  -0.655   1.005   0.820
+  122LEU   HD22 1732  -0.753   0.874   0.744
+  122LEU   HD23 1733  -0.576   0.884   0.713
+  122LEU      C 1734  -0.874   0.961   1.172
+  122LEU      O 1735  -0.983   0.991   1.122
+  123LEU      N 1736  -0.864   0.936   1.303
+  123LEU     HN 1737  -0.775   0.919   1.345
+  123LEU     CA 1738  -0.981   0.925   1.389
+  123LEU     HA 1739  -1.048   0.855   1.339
+  123LEU     CB 1740  -0.946   0.867   1.528
+  123LEU    HB1 1741  -0.880   0.940   1.580
+  123LEU    HB2 1742  -0.887   0.775   1.513
+  123LEU     CG 1743  -1.067   0.834   1.618
+  123LEU     HG 1744  -1.134   0.923   1.623
+  123LEU    CD1 1745  -1.147   0.715   1.562
+  123LEU   HD11 1746  -1.082   0.626   1.551
+  123LEU   HD12 1747  -1.189   0.739   1.462
+  123LEU   HD13 1748  -1.231   0.689   1.629
+  123LEU    CD2 1749  -1.023   0.803   1.762
+  123LEU   HD21 1750  -0.963   0.888   1.802
+  123LEU   HD22 1751  -0.959   0.712   1.764
+  123LEU   HD23 1752  -1.111   0.787   1.827
+  123LEU      C 1753  -1.059   1.055   1.405
+  123LEU      O 1754  -1.006   1.157   1.452
+  124GLY      N 1755  -1.188   1.056   1.367
+  124GLY     HN 1756  -1.230   0.974   1.325
+  124GLY     CA 1757  -1.274   1.174   1.373
+  124GLY    HA1 1758  -1.245   1.236   1.457
+  124GLY    HA2 1759  -1.376   1.140   1.378
+  124GLY      C 1760  -1.263   1.258   1.249
+  124GLY      O 1761  -1.309   1.373   1.245
+  125ASN      N 1762  -1.203   1.204   1.143
+  125ASN     HN 1763  -1.173   1.108   1.147
+  125ASN     CA 1764  -1.172   1.274   1.021
+  125ASN     HA 1765  -1.235   1.361   1.012
+  125ASN     CB 1766  -1.022   1.315   1.013
+  125ASN    HB1 1767  -1.001   1.366   0.916
+  125ASN    HB2 1768  -0.957   1.226   1.019
+  125ASN     CG 1769  -0.986   1.415   1.122
+  125ASN    OD1 1770  -1.017   1.533   1.113
+  125ASN    ND2 1771  -0.909   1.370   1.224
+  125ASN   HD21 1772  -0.873   1.276   1.222
+  125ASN   HD22 1773  -0.893   1.428   1.301
+  125ASN      C 1774  -1.208   1.183   0.904
+  125ASN      O 1775  -1.238   1.066   0.919
+  126GLU      N 1776  -1.208   1.242   0.783
+  126GLU     HN 1777  -1.185   1.338   0.772
+  126GLU     CA 1778  -1.236   1.169   0.662
+  126GLU     HA 1779  -1.228   1.063   0.680
+  126GLU     CB 1780  -1.378   1.204   0.607
+  126GLU    HB1 1781  -1.450   1.191   0.691
+  126GLU    HB2 1782  -1.405   1.129   0.529
+  126GLU     CG 1783  -1.391   1.346   0.546
+  126GLU    HG1 1784  -1.332   1.352   0.453
+  126GLU    HG2 1785  -1.352   1.420   0.618
+  126GLU     CD 1786  -1.534   1.388   0.513
+  126GLU    OE1 1787  -1.632   1.318   0.544
+  126GLU    OE2 1788  -1.546   1.502   0.455
+  126GLU      C 1789  -1.130   1.204   0.561
+  126GLU      O 1790  -1.061   1.308   0.571
+  127PHE      N 1791  -1.112   1.117   0.462
+  127PHE     HN 1792  -1.173   1.036   0.457
+  127PHE     CA 1793  -1.013   1.128   0.359
+  127PHE     HA 1794  -0.971   1.228   0.358
+  127PHE     CB 1795  -0.901   1.023   0.382
+  127PHE    HB1 1796  -0.941   0.920   0.373
+  127PHE    HB2 1797  -0.861   1.035   0.484
+  127PHE     CG 1798  -0.787   1.040   0.284
+  127PHE    CD1 1799  -0.680   1.125   0.315
+  127PHE    HD1 1800  -0.680   1.179   0.408
+  127PHE    CE1 1801  -0.571   1.137   0.228
+  127PHE    HE1 1802  -0.487   1.201   0.254
+  127PHE     CZ 1803  -0.569   1.064   0.109
+  127PHE     HZ 1804  -0.484   1.072   0.041
+  127PHE    CD2 1805  -0.784   0.967   0.164
+  127PHE    HD2 1806  -0.865   0.900   0.140
+  127PHE    CE2 1807  -0.676   0.981   0.076
+  127PHE    HE2 1808  -0.674   0.924  -0.016
+  127PHE      C 1809  -1.085   1.107   0.226
+  127PHE      O 1810  -1.158   1.012   0.208
+  128SER      N 1811  -1.065   1.203   0.133
+  128SER     HN 1812  -1.002   1.278   0.151
+  128SER     CA 1813  -1.126   1.202   0.002
+  128SER     HA 1814  -1.181   1.111  -0.015
+  128SER     CB 1815  -1.222   1.324  -0.017
+  128SER    HB1 1816  -1.167   1.417   0.011
+  128SER    HB2 1817  -1.306   1.312   0.055
+  128SER     OG 1818  -1.276   1.339  -0.149
+  128SER    HG1 1819  -1.201   1.344  -0.211
+  128SER      C 1820  -1.016   1.210  -0.101
+  128SER      O 1821  -0.917   1.281  -0.082
+  129PHE      N 1822  -1.031   1.138  -0.213
+  129PHE     HN 1823  -1.108   1.075  -0.226
+  129PHE     CA 1824  -0.937   1.147  -0.323
+  129PHE     HA 1825  -0.909   1.250  -0.336
+  129PHE     CB 1826  -0.808   1.061  -0.302
+  129PHE    HB1 1827  -0.759   1.091  -0.207
+  129PHE    HB2 1828  -0.737   1.081  -0.385
+  129PHE     CG 1829  -0.835   0.912  -0.295
+  129PHE    CD1 1830  -0.896   0.856  -0.182
+  129PHE    HD1 1831  -0.923   0.919  -0.099
+  129PHE    CE1 1832  -0.926   0.719  -0.178
+  129PHE    HE1 1833  -0.978   0.678  -0.093
+  129PHE     CZ 1834  -0.893   0.637  -0.286
+  129PHE     HZ 1835  -0.920   0.533  -0.285
+  129PHE    CD2 1836  -0.798   0.828  -0.402
+  129PHE    HD2 1837  -0.749   0.869  -0.489
+  129PHE    CE2 1838  -0.827   0.691  -0.397
+  129PHE    HE2 1839  -0.800   0.626  -0.479
+  129PHE      C 1840  -1.013   1.106  -0.448
+  129PHE      O 1841  -1.112   1.034  -0.443
+  130ASP      N 1842  -0.967   1.156  -0.565
+  130ASP     HN 1843  -0.887   1.215  -0.567
+  130ASP     CA 1844  -1.013   1.111  -0.694
+  130ASP     HA 1845  -1.109   1.062  -0.684
+  130ASP     CB 1846  -1.020   1.224  -0.802
+  130ASP    HB1 1847  -1.050   1.178  -0.897
+  130ASP    HB2 1848  -0.919   1.269  -0.812
+  130ASP     CG 1849  -1.119   1.337  -0.778
+  130ASP    OD1 1850  -1.200   1.337  -0.685
+  130ASP    OD2 1851  -1.115   1.430  -0.867
+  130ASP      C 1852  -0.913   1.006  -0.744
+  130ASP      O 1853  -0.792   1.014  -0.717
+  131VAL      N 1854  -0.959   0.907  -0.821
+  131VAL     HN 1855  -1.057   0.897  -0.839
+  131VAL     CA 1856  -0.872   0.802  -0.872
+  131VAL     HA 1857  -0.773   0.844  -0.888
+  131VAL     CB 1858  -0.857   0.686  -0.773
+  131VAL     HB 1859  -0.826   0.731  -0.676
+  131VAL    CG1 1860  -0.992   0.614  -0.750
+  131VAL   HG11 1861  -1.026   0.561  -0.841
+  131VAL   HG12 1862  -1.071   0.685  -0.717
+  131VAL   HG13 1863  -0.980   0.538  -0.669
+  131VAL    CG2 1864  -0.746   0.589  -0.816
+  131VAL   HG21 1865  -0.650   0.643  -0.830
+  131VAL   HG22 1866  -0.771   0.537  -0.911
+  131VAL   HG23 1867  -0.731   0.512  -0.738
+  131VAL      C 1868  -0.922   0.758  -1.008
+  131VAL      O 1869  -1.041   0.757  -1.036
+  132ASP      N 1870  -0.828   0.726  -1.099
+  132ASP     HN 1871  -0.731   0.732  -1.073
+  132ASP     CA 1872  -0.854   0.670  -1.230
+  132ASP     HA 1873  -0.960   0.655  -1.244
+  132ASP     CB 1874  -0.798   0.762  -1.342
+  132ASP    HB1 1875  -0.689   0.775  -1.325
+  132ASP    HB2 1876  -0.845   0.862  -1.335
+  132ASP     CG 1877  -0.816   0.710  -1.485
+  132ASP    OD1 1878  -0.901   0.623  -1.511
+  132ASP    OD2 1879  -0.744   0.765  -1.574
+  132ASP      C 1880  -0.786   0.534  -1.230
+  132ASP      O 1881  -0.664   0.523  -1.213
+  133VAL      N 1882  -0.866   0.427  -1.246
+  133VAL     HN 1883  -0.964   0.439  -1.258
+  133VAL     CA 1884  -0.819   0.289  -1.240
+  133VAL     HA 1885  -0.713   0.286  -1.220
+  133VAL     CB 1886  -0.892   0.210  -1.131
+  133VAL     HB 1887  -0.859   0.103  -1.134
+  133VAL    CG1 1888  -0.854   0.266  -0.992
+  133VAL   HG11 1889  -0.893   0.368  -0.979
+  133VAL   HG12 1890  -0.744   0.267  -0.980
+  133VAL   HG13 1891  -0.897   0.201  -0.913
+  133VAL    CG2 1892  -1.045   0.214  -1.153
+  133VAL   HG21 1893  -1.072   0.175  -1.252
+  133VAL   HG22 1894  -1.085   0.317  -1.141
+  133VAL   HG23 1895  -1.094   0.151  -1.077
+  133VAL      C 1896  -0.841   0.223  -1.375
+  133VAL      O 1897  -0.827   0.101  -1.390
+  134SER      N 1898  -0.873   0.301  -1.479
+  134SER     HN 1899  -0.879   0.401  -1.466
+  134SER     CA 1900  -0.916   0.251  -1.609
+  134SER     HA 1901  -0.998   0.182  -1.590
+  134SER     CB 1902  -0.968   0.363  -1.703
+  134SER    HB1 1903  -1.054   0.412  -1.652
+  134SER    HB2 1904  -1.006   0.317  -1.797
+  134SER     OG 1905  -0.871   0.463  -1.734
+  134SER    HG1 1906  -0.866   0.522  -1.655
+  134SER      C 1907  -0.811   0.170  -1.683
+  134SER      O 1908  -0.844   0.081  -1.763
+  135GLN      N 1909  -0.683   0.200  -1.659
+  135GLN     HN 1910  -0.662   0.271  -1.592
+  135GLN     CA 1911  -0.570   0.137  -1.724
+  135GLN     HA 1912  -0.603   0.093  -1.818
+  135GLN     CB 1913  -0.459   0.242  -1.752
+  135GLN    HB1 1914  -0.376   0.192  -1.807
+  135GLN    HB2 1915  -0.419   0.279  -1.656
+  135GLN     CG 1916  -0.504   0.364  -1.835
+  135GLN    HG1 1917  -0.416   0.426  -1.861
+  135GLN    HG2 1918  -0.572   0.427  -1.774
+  135GLN     CD 1919  -0.573   0.324  -1.967
+  135GLN    OE1 1920  -0.513   0.266  -2.057
+  135GLN    NE2 1921  -0.703   0.360  -1.979
+  135GLN   HE21 1922  -0.750   0.399  -1.901
+  135GLN   HE22 1923  -0.748   0.329  -2.063
+  135GLN      C 1924  -0.513   0.023  -1.641
+  135GLN      O 1925  -0.406  -0.027  -1.671
+  136LEU      N 1926  -0.585  -0.022  -1.536
+  136LEU     HN 1927  -0.672   0.021  -1.510
+  136LEU     CA 1928  -0.544  -0.134  -1.454
+  136LEU     HA 1929  -0.440  -0.157  -1.471
+  136LEU     CB 1930  -0.558  -0.102  -1.302
+  136LEU    HB1 1931  -0.525  -0.191  -1.243
+  136LEU    HB2 1932  -0.666  -0.083  -1.279
+  136LEU     CG 1933  -0.479   0.020  -1.252
+  136LEU     HG 1934  -0.510   0.110  -1.309
+  136LEU    CD1 1935  -0.511   0.044  -1.104
+  136LEU   HD11 1936  -0.481  -0.045  -1.043
+  136LEU   HD12 1937  -0.620   0.060  -1.089
+  136LEU   HD13 1938  -0.457   0.132  -1.065
+  136LEU    CD2 1939  -0.327   0.001  -1.271
+  136LEU   HD21 1940  -0.302  -0.006  -1.379
+  136LEU   HD22 1941  -0.293  -0.091  -1.220
+  136LEU   HD23 1942  -0.273   0.088  -1.229
+  136LEU      C 1943  -0.631  -0.255  -1.485
+  136LEU      O 1944  -0.750  -0.257  -1.450
+  137PRO      N 1945  -0.582  -0.360  -1.550
+  137PRO     CD 1946  -0.456  -0.361  -1.625
+  137PRO    HD1 1947  -0.369  -0.345  -1.558
+  137PRO    HD2 1948  -0.459  -0.283  -1.704
+  137PRO     CA 1949  -0.660  -0.482  -1.571
+  137PRO     HA 1950  -0.766  -0.461  -1.579
+  137PRO     CB 1951  -0.597  -0.537  -1.700
+  137PRO    HB1 1952  -0.640  -0.484  -1.787
+  137PRO    HB2 1953  -0.612  -0.646  -1.716
+  137PRO     CG 1954  -0.449  -0.500  -1.689
+  137PRO    HG1 1955  -0.397  -0.570  -1.620
+  137PRO    HG2 1956  -0.397  -0.500  -1.787
+  137PRO      C 1957  -0.638  -0.576  -1.453
+  137PRO      O 1958  -0.587  -0.535  -1.350
+  138CYS      N 1959  -0.676  -0.705  -1.470
+  138CYS     HN 1960  -0.717  -0.734  -1.554
+  138CYS     CA 1961  -0.653  -0.811  -1.373
+  138CYS     HA 1962  -0.704  -0.785  -1.281
+  138CYS     CB 1963  -0.705  -0.947  -1.427
+  138CYS    HB1 1964  -0.687  -1.026  -1.350
+  138CYS    HB2 1965  -0.646  -0.974  -1.518
+  138CYS     SG 1966  -0.881  -0.947  -1.471
+  138CYS      C 1967  -0.506  -0.832  -1.341
+  138CYS      O 1968  -0.421  -0.831  -1.431
+  139GLY      N 1969  -0.474  -0.854  -1.212
+  139GLY     HN 1970  -0.549  -0.860  -1.144
+  139GLY     CA 1971  -0.339  -0.885  -1.167
+  139GLY    HA1 1972  -0.281  -0.924  -1.249
+  139GLY    HA2 1973  -0.347  -0.956  -1.086
+  139GLY      C 1974  -0.260  -0.767  -1.117
+  139GLY      O 1975  -0.150  -0.782  -1.067
+  140LEU      N 1976  -0.317  -0.646  -1.130
+  140LEU     HN 1977  -0.408  -0.640  -1.170
+  140LEU     CA 1978  -0.255  -0.523  -1.088
+  140LEU     HA 1979  -0.155  -0.542  -1.051
+  140LEU     CB 1980  -0.248  -0.416  -1.201
+  140LEU    HB1 1981  -0.231  -0.315  -1.155
+  140LEU    HB2 1982  -0.344  -0.412  -1.255
+  140LEU     CG 1983  -0.131  -0.433  -1.301
+  140LEU     HG 1984  -0.037  -0.448  -1.241
+  140LEU    CD1 1985  -0.146  -0.555  -1.393
+  140LEU   HD11 1986  -0.243  -0.551  -1.448
+  140LEU   HD12 1987  -0.142  -0.649  -1.335
+  140LEU   HD13 1988  -0.063  -0.557  -1.467
+  140LEU    CD2 1989  -0.113  -0.305  -1.383
+  140LEU   HD21 1990  -0.085  -0.220  -1.317
+  140LEU   HD22 1991  -0.207  -0.279  -1.436
+  140LEU   HD23 1992  -0.033  -0.319  -1.458
+  140LEU      C 1993  -0.333  -0.466  -0.973
+  140LEU      O 1994  -0.452  -0.495  -0.955
+  141ASN      N 1995  -0.268  -0.383  -0.891
+  141ASN     HN 1996  -0.169  -0.366  -0.903
+  141ASN     CA 1997  -0.331  -0.316  -0.780
+  141ASN     HA 1998  -0.437  -0.302  -0.801
+  141ASN     CB 1999  -0.315  -0.403  -0.653
+  141ASN    HB1 2000  -0.207  -0.424  -0.635
+  141ASN    HB2 2001  -0.367  -0.499  -0.673
+  141ASN     CG 2002  -0.376  -0.344  -0.526
+  141ASN    OD1 2003  -0.436  -0.236  -0.525
+  141ASN    ND2 2004  -0.361  -0.418  -0.414
+  141ASN   HD21 2005  -0.395  -0.381  -0.328
+  141ASN   HD22 2006  -0.310  -0.504  -0.419
+  141ASN      C 2007  -0.268  -0.178  -0.771
+  141ASN      O 2008  -0.149  -0.163  -0.752
+  142GLY      N 2009  -0.352  -0.074  -0.789
+  142GLY     HN 2010  -0.449  -0.091  -0.806
+  142GLY     CA 2011  -0.316   0.063  -0.755
+  142GLY    HA1 2012  -0.363   0.128  -0.826
+  142GLY    HA2 2013  -0.208   0.075  -0.749
+  142GLY      C 2014  -0.375   0.091  -0.621
+  142GLY      O 2015  -0.496   0.102  -0.607
+  143ALA      N 2016  -0.289   0.106  -0.519
+  143ALA     HN 2017  -0.191   0.105  -0.533
+  143ALA     CA 2018  -0.333   0.113  -0.381
+  143ALA     HA 2019  -0.440   0.098  -0.376
+  143ALA     CB 2020  -0.266   0.004  -0.296
+  143ALA    HB1 2021  -0.156   0.015  -0.295
+  143ALA    HB2 2022  -0.290  -0.097  -0.338
+  143ALA    HB3 2023  -0.303   0.006  -0.191
+  143ALA      C 2024  -0.303   0.249  -0.323
+  143ALA      O 2025  -0.207   0.319  -0.360
+  144LEU      N 2026  -0.389   0.292  -0.229
+  144LEU     HN 2027  -0.462   0.230  -0.199
+  144LEU     CA 2028  -0.369   0.411  -0.151
+  144LEU     HA 2029  -0.264   0.439  -0.153
+  144LEU     CB 2030  -0.457   0.530  -0.200
+  144LEU    HB1 2031  -0.564   0.501  -0.199
+  144LEU    HB2 2032  -0.428   0.547  -0.306
+  144LEU     CG 2033  -0.438   0.663  -0.123
+  144LEU     HG 2034  -0.331   0.669  -0.093
+  144LEU    CD1 2035  -0.469   0.782  -0.215
+  144LEU   HD11 2036  -0.575   0.779  -0.246
+  144LEU   HD12 2037  -0.406   0.779  -0.306
+  144LEU   HD13 2038  -0.449   0.878  -0.162
+  144LEU    CD2 2039  -0.526   0.673   0.003
+  144LEU   HD21 2040  -0.504   0.592   0.076
+  144LEU   HD22 2041  -0.634   0.666  -0.024
+  144LEU   HD23 2042  -0.508   0.769   0.055
+  144LEU      C 2043  -0.403   0.371  -0.010
+  144LEU      O 2044  -0.511   0.318   0.016
+  145TYR      N 2045  -0.312   0.394   0.085
+  145TYR     HN 2046  -0.225   0.441   0.066
+  145TYR     CA 2047  -0.326   0.335   0.215
+  145TYR     HA 2048  -0.428   0.346   0.248
+  145TYR     CB 2049  -0.293   0.182   0.214
+  145TYR    HB1 2050  -0.360   0.131   0.142
+  145TYR    HB2 2051  -0.312   0.135   0.313
+  145TYR     CG 2052  -0.152   0.149   0.174
+  145TYR    CD1 2053  -0.112   0.154   0.040
+  145TYR    HD1 2054  -0.182   0.185  -0.036
+  145TYR    CE1 2055   0.017   0.114   0.002
+  145TYR    HE1 2056   0.047   0.119  -0.101
+  145TYR     CZ 2057   0.105   0.063   0.099
+  145TYR     OH 2058   0.232   0.016   0.063
+  145TYR     HH 2059   0.264  -0.035   0.140
+  145TYR    CD2 2060  -0.063   0.098   0.270
+  145TYR    HD2 2061  -0.096   0.084   0.372
+  145TYR    CE2 2062   0.065   0.055   0.233
+  145TYR    HE2 2063   0.130   0.012   0.308
+  145TYR      C 2064  -0.243   0.413   0.314
+  145TYR      O 2065  -0.169   0.504   0.279
+  146PHE      N 2066  -0.261   0.383   0.444
+  146PHE     HN 2067  -0.322   0.307   0.468
+  146PHE     CA 2068  -0.187   0.444   0.551
+  146PHE     HA 2069  -0.107   0.505   0.511
+  146PHE     CB 2070  -0.276   0.528   0.646
+  146PHE    HB1 2071  -0.218   0.562   0.734
+  146PHE    HB2 2072  -0.361   0.467   0.683
+  146PHE     CG 2073  -0.330   0.650   0.579
+  146PHE    CD1 2074  -0.261   0.772   0.591
+  146PHE    HD1 2075  -0.167   0.775   0.644
+  146PHE    CE1 2076  -0.313   0.889   0.535
+  146PHE    HE1 2077  -0.258   0.980   0.542
+  146PHE     CZ 2078  -0.435   0.886   0.468
+  146PHE     HZ 2079  -0.475   0.976   0.424
+  146PHE    CD2 2080  -0.454   0.648   0.512
+  146PHE    HD2 2081  -0.507   0.555   0.505
+  146PHE    CE2 2082  -0.506   0.765   0.456
+  146PHE    HE2 2083  -0.601   0.763   0.405
+  146PHE      C 2084  -0.123   0.336   0.635
+  146PHE      O 2085  -0.179   0.229   0.653
+  147VAL      N 2086  -0.005   0.365   0.693
+  147VAL     HN 2087   0.040   0.452   0.676
+  147VAL     CA 2088   0.066   0.272   0.779
+  147VAL     HA 2089  -0.003   0.201   0.822
+  147VAL     CB 2090   0.176   0.193   0.707
+  147VAL     HB 2091   0.238   0.137   0.781
+  147VAL    CG1 2092   0.114   0.087   0.615
+  147VAL   HG11 2093   0.056   0.134   0.533
+  147VAL   HG12 2094   0.046   0.020   0.671
+  147VAL   HG13 2095   0.193   0.024   0.568
+  147VAL    CG2 2096   0.267   0.287   0.627
+  147VAL   HG21 2097   0.314   0.364   0.692
+  147VAL   HG22 2098   0.209   0.339   0.548
+  147VAL   HG23 2099   0.348   0.229   0.578
+  147VAL      C 2100   0.127   0.350   0.893
+  147VAL      O 2101   0.162   0.467   0.880
+  148SER      N 2102   0.138   0.289   1.013
+  148SER     HN 2103   0.105   0.194   1.022
+  148SER     CA 2104   0.196   0.354   1.129
+  148SER     HA 2105   0.168   0.458   1.128
+  148SER     CB 2106   0.146   0.296   1.264
+  148SER    HB1 2107   0.202   0.340   1.349
+  148SER    HB2 2108   0.163   0.185   1.264
+  148SER     OG 2109   0.007   0.322   1.285
+  148SER    HG1 2110  -0.004   0.417   1.279
+  148SER      C 2111   0.349   0.352   1.130
+  148SER      O 2112   0.412   0.289   1.214
+  149MET      N 2113   0.410   0.427   1.036
+  149MET     HN 2114   0.354   0.478   0.971
+  149MET     CA 2115   0.553   0.449   1.028
+  149MET     HA 2116   0.603   0.359   1.059
+  149MET     CB 2117   0.598   0.483   0.883
+  149MET    HB1 2118   0.705   0.515   0.883
+  149MET    HB2 2119   0.537   0.568   0.846
+  149MET     CG 2120   0.588   0.365   0.785
+  149MET    HG1 2121   0.492   0.311   0.804
+  149MET    HG2 2122   0.669   0.292   0.807
+  149MET     SD 2123   0.593   0.413   0.609
+  149MET     CE 2124   0.757   0.488   0.603
+  149MET    HE1 2125   0.836   0.416   0.634
+  149MET    HE2 2126   0.763   0.576   0.671
+  149MET    HE3 2127   0.781   0.524   0.501
+  149MET      C 2128   0.598   0.559   1.122
+  149MET      O 2129   0.518   0.635   1.177
+  150ASP      N 2130   0.730   0.570   1.145
+  150ASP     HN 2131   0.795   0.505   1.105
+  150ASP     CA 2132   0.787   0.682   1.216
+  150ASP     HA 2133   0.716   0.717   1.290
+  150ASP     CB 2134   0.919   0.641   1.287
+  150ASP    HB1 2135   0.960   0.728   1.342
+  150ASP    HB2 2136   0.994   0.611   1.211
+  150ASP     CG 2137   0.907   0.526   1.388
+  150ASP    OD1 2138   0.806   0.517   1.464
+  150ASP    OD2 2139   1.005   0.452   1.405
+  150ASP      C 2140   0.814   0.796   1.117
+  150ASP      O 2141   0.862   0.774   1.005
+  151ALA      N 2142   0.788   0.923   1.156
+  151ALA     HN 2143   0.743   0.936   1.243
+  151ALA     CA 2144   0.794   1.041   1.070
+  151ALA     HA 2145   0.721   1.026   0.991
+  151ALA     CB 2146   0.755   1.168   1.150
+  151ALA    HB1 2147   0.831   1.190   1.228
+  151ALA    HB2 2148   0.657   1.152   1.198
+  151ALA    HB3 2149   0.747   1.255   1.081
+  151ALA      C 2150   0.929   1.068   1.006
+  151ALA      O 2151   0.939   1.123   0.896
+  152ASP      N 2152   1.038   1.033   1.076
+  152ASP     HN 2153   1.030   0.984   1.163
+  152ASP     CA 2154   1.173   1.060   1.034
+  152ASP     HA 2155   1.173   1.142   0.964
+  152ASP     CB 2156   1.259   1.099   1.159
+  152ASP    HB1 2157   1.211   1.186   1.208
+  152ASP    HB2 2158   1.361   1.128   1.125
+  152ASP     CG 2159   1.277   0.990   1.264
+  152ASP    OD1 2160   1.211   0.884   1.253
+  152ASP    OD2 2161   1.358   1.010   1.359
+  152ASP      C 2162   1.232   0.940   0.959
+  152ASP      O 2163   1.344   0.946   0.909
+  153GLY      N 2164   1.156   0.830   0.946
+  153GLY     HN 2165   1.062   0.829   0.984
+  153GLY     CA 2166   1.200   0.707   0.881
+  153GLY    HA1 2167   1.263   0.732   0.797
+  153GLY    HA2 2168   1.111   0.652   0.852
+  153GLY      C 2169   1.279   0.618   0.973
+  153GLY      O 2170   1.339   0.521   0.929
+  154GLY      N 2171   1.279   0.649   1.104
+  154GLY     HN 2172   1.233   0.733   1.137
+  154GLY     CA 2173   1.341   0.567   1.208
+  154GLY    HA1 2174   1.348   0.464   1.175
+  154GLY    HA2 2175   1.279   0.577   1.296
+  154GLY      C 2176   1.480   0.611   1.247
+  154GLY      O 2177   1.553   0.539   1.312
+  155VAL      N 2178   1.521   0.733   1.206
+  155VAL     HN 2179   1.457   0.791   1.156
+  155VAL     CA 2180   1.653   0.789   1.234
+  155VAL     HA 2181   1.728   0.719   1.198
+  155VAL     CB 2182   1.674   0.923   1.163
+  155VAL     HB 2183   1.593   0.993   1.193
+  155VAL    CG1 2184   1.811   0.986   1.196
+  155VAL   HG11 2185   1.893   0.915   1.170
+  155VAL   HG12 2186   1.821   1.012   1.303
+  155VAL   HG13 2187   1.826   1.079   1.136
+  155VAL    CG2 2188   1.665   0.899   1.011
+  155VAL   HG21 2189   1.566   0.858   0.983
+  155VAL   HG22 2190   1.744   0.828   0.979
+  155VAL   HG23 2191   1.679   0.995   0.956
+  155VAL      C 2192   1.681   0.805   1.383
+  155VAL      O 2193   1.786   0.771   1.434
+  156SER      N 2194   1.582   0.859   1.458
+  156SER     HN 2195   1.497   0.891   1.415
+  156SER     CA 2196   1.592   0.876   1.602
+  156SER     HA 2197   1.682   0.934   1.621
+  156SER     CB 2198   1.471   0.954   1.659
+  156SER    HB1 2199   1.472   1.057   1.615
+  156SER    HB2 2200   1.479   0.965   1.770
+  156SER     OG 2201   1.346   0.894   1.624
+  156SER    HG1 2202   1.329   0.917   1.531
+  156SER      C 2203   1.610   0.748   1.684
+  156SER      O 2204   1.691   0.742   1.775
+  157LYS      N 2205   1.532   0.643   1.650
+  157LYS     HN 2206   1.466   0.654   1.577
+  157LYS     CA 2207   1.538   0.513   1.714
+  157LYS     HA 2208   1.539   0.528   1.822
+  157LYS     CB 2209   1.414   0.428   1.676
+  157LYS    HB1 2210   1.424   0.326   1.719
+  157LYS    HB2 2211   1.410   0.419   1.565
+  157LYS     CG 2212   1.281   0.485   1.725
+  157LYS    HG1 2213   1.266   0.588   1.685
+  157LYS    HG2 2214   1.282   0.493   1.837
+  157LYS     CD 2215   1.163   0.398   1.681
+  157LYS    HD1 2216   1.178   0.294   1.720
+  157LYS    HD2 2217   1.165   0.392   1.570
+  157LYS     CE 2218   1.027   0.451   1.727
+  157LYS    HE1 2219   1.011   0.555   1.689
+  157LYS    HE2 2220   1.020   0.452   1.838
+  157LYS     NZ 2221   0.918   0.368   1.673
+  157LYS    HZ1 2222   0.932   0.268   1.700
+  157LYS    HZ2 2223   0.918   0.381   1.568
+  157LYS    HZ3 2224   0.827   0.403   1.708
+  157LYS      C 2225   1.663   0.433   1.681
+  157LYS      O 2226   1.719   0.361   1.763
+  158TYR      N 2227   1.708   0.447   1.554
+  158TYR     HN 2228   1.663   0.509   1.490
+  158TYR     CA 2229   1.814   0.365   1.498
+  158TYR     HA 2230   1.856   0.301   1.574
+  158TYR     CB 2231   1.758   0.273   1.385
+  158TYR    HB1 2232   1.833   0.198   1.356
+  158TYR    HB2 2233   1.732   0.334   1.295
+  158TYR     CG 2234   1.631   0.203   1.430
+  158TYR    CD1 2235   1.633   0.119   1.542
+  158TYR    HD1 2236   1.725   0.101   1.594
+  158TYR    CE1 2237   1.513   0.064   1.592
+  158TYR    HE1 2238   1.515   0.003   1.681
+  158TYR     CZ 2239   1.391   0.090   1.528
+  158TYR     OH 2240   1.270   0.038   1.577
+  158TYR     HH 2241   1.203   0.052   1.507
+  158TYR    CD2 2242   1.509   0.225   1.364
+  158TYR    HD2 2243   1.506   0.289   1.277
+  158TYR    CE2 2244   1.390   0.170   1.413
+  158TYR    HE2 2245   1.296   0.191   1.363
+  158TYR      C 2246   1.923   0.455   1.443
+  158TYR      O 2247   1.912   0.499   1.324
+  159PRO      N 2248   2.033   0.484   1.511
+  159PRO     CD 2249   2.044   0.459   1.656
+  159PRO    HD1 2250   2.097   0.362   1.670
+  159PRO    HD2 2251   1.946   0.457   1.708
+  159PRO     CA 2252   2.126   0.589   1.469
+  159PRO     HA 2253   2.069   0.677   1.444
+  159PRO     CB 2254   2.218   0.608   1.591
+  159PRO    HB1 2255   2.259   0.711   1.595
+  159PRO    HB2 2256   2.302   0.535   1.589
+  159PRO     CG 2257   2.126   0.576   1.709
+  159PRO    HG1 2258   2.179   0.554   1.803
+  159PRO    HG2 2259   2.058   0.663   1.726
+  159PRO      C 2260   2.211   0.552   1.349
+  159PRO      O 2261   2.278   0.639   1.292
+  160THR      N 2262   2.215   0.423   1.311
+  160THR     HN 2263   2.163   0.354   1.360
+  160THR     CA 2264   2.288   0.373   1.195
+  160THR     HA 2265   2.382   0.426   1.188
+  160THR     CB 2266   2.316   0.224   1.203
+  160THR     HB 2267   2.342   0.180   1.104
+  160THR    OG1 2268   2.206   0.154   1.260
+  160THR    HG1 2269   2.169   0.101   1.187
+  160THR    CG2 2270   2.437   0.202   1.296
+  160THR   HG21 2271   2.414   0.237   1.399
+  160THR   HG22 2272   2.525   0.257   1.258
+  160THR   HG23 2273   2.462   0.094   1.301
+  160THR      C 2274   2.213   0.402   1.066
+  160THR      O 2275   2.270   0.402   0.957
+  161ASN      N 2276   2.083   0.435   1.078
+  161ASN     HN 2277   2.040   0.440   1.168
+  161ASN     CA 2278   2.007   0.493   0.971
+  161ASN     HA 2279   2.041   0.453   0.876
+  161ASN     CB 2280   1.856   0.461   0.990
+  161ASN    HB1 2281   1.820   0.507   1.085
+  161ASN    HB2 2282   1.843   0.352   0.998
+  161ASN     CG 2283   1.772   0.511   0.874
+  161ASN    OD1 2284   1.823   0.550   0.768
+  161ASN    ND2 2285   1.638   0.514   0.894
+  161ASN   HD21 2286   1.579   0.535   0.817
+  161ASN   HD22 2287   1.600   0.491   0.984
+  161ASN      C 2288   2.030   0.643   0.972
+  161ASN      O 2289   1.990   0.714   1.064
+  162THR      N 2290   2.097   0.696   0.869
+  162THR     HN 2291   2.135   0.637   0.799
+  162THR     CA 2292   2.121   0.839   0.853
+  162THR     HA 2293   2.068   0.894   0.930
+  162THR     CB 2294   2.269   0.878   0.862
+  162THR     HB 2295   2.281   0.988   0.841
+  162THR    OG1 2296   2.352   0.804   0.773
+  162THR    HG1 2297   2.430   0.860   0.765
+  162THR    CG2 2298   2.319   0.850   1.004
+  162THR   HG21 2299   2.313   0.742   1.028
+  162THR   HG22 2300   2.257   0.905   1.078
+  162THR   HG23 2301   2.424   0.883   1.015
+  162THR      C 2302   2.064   0.885   0.722
+  162THR      O 2303   2.096   0.993   0.672
+  163ALA      N 2304   1.977   0.803   0.661
+  163ALA     HN 2305   1.947   0.718   0.706
+  163ALA     CA 2306   1.917   0.832   0.533
+  163ALA     HA 2307   1.972   0.910   0.482
+  163ALA     CB 2308   1.919   0.703   0.449
+  163ALA    HB1 2309   1.849   0.627   0.490
+  163ALA    HB2 2310   2.021   0.660   0.447
+  163ALA    HB3 2311   1.890   0.725   0.344
+  163ALA      C 2312   1.775   0.881   0.553
+  163ALA      O 2313   1.730   0.977   0.487
+  164GLY      N 2314   1.703   0.821   0.649
+  164GLY     HN 2315   1.741   0.740   0.695
+  164GLY     CA 2316   1.570   0.860   0.691
+  164GLY    HA1 2317   1.579   0.959   0.734
+  164GLY    HA2 2318   1.535   0.787   0.762
+  164GLY      C 2319   1.464   0.870   0.585
+  164GLY      O 2320   1.470   0.806   0.478
+  165ALA      N 2321   1.362   0.952   0.612
+  165ALA     HN 2322   1.359   0.997   0.701
+  165ALA     CA 2323   1.245   0.971   0.528
+  165ALA     HA 2324   1.198   0.874   0.516
+  165ALA     CB 2325   1.148   1.068   0.597
+  165ALA    HB1 2326   1.194   1.168   0.608
+  165ALA    HB2 2327   1.120   1.029   0.697
+  165ALA    HB3 2328   1.054   1.077   0.538
+  165ALA      C 2329   1.278   1.020   0.387
+  165ALA      O 2330   1.210   0.985   0.290
+  166LYS      N 2331   1.387   1.098   0.373
+  166LYS     HN 2332   1.443   1.115   0.453
+  166LYS     CA 2333   1.437   1.151   0.246
+  166LYS     HA 2334   1.357   1.207   0.200
+  166LYS     CB 2335   1.559   1.244   0.272
+  166LYS    HB1 2336   1.640   1.185   0.320
+  166LYS    HB2 2337   1.526   1.322   0.344
+  166LYS     CG 2338   1.611   1.313   0.144
+  166LYS    HG1 2339   1.523   1.354   0.090
+  166LYS    HG2 2340   1.657   1.236   0.077
+  166LYS     CD 2341   1.713   1.425   0.170
+  166LYS    HD1 2342   1.804   1.380   0.218
+  166LYS    HD2 2343   1.667   1.497   0.242
+  166LYS     CE 2344   1.754   1.499   0.041
+  166LYS    HE1 2345   1.663   1.546  -0.004
+  166LYS    HE2 2346   1.797   1.428  -0.032
+  166LYS     NZ 2347   1.854   1.606   0.066
+  166LYS    HZ1 2348   1.942   1.567   0.106
+  166LYS    HZ2 2349   1.818   1.677   0.133
+  166LYS    HZ3 2350   1.878   1.656  -0.023
+  166LYS      C 2351   1.475   1.042   0.147
+  166LYS      O 2352   1.467   1.059   0.025
+  167TYR      N 2353   1.520   0.925   0.195
+  167TYR     HN 2354   1.526   0.910   0.294
+  167TYR     CA 2355   1.554   0.814   0.109
+  167TYR     HA 2356   1.541   0.842   0.005
+  167TYR     CB 2357   1.701   0.770   0.125
+  167TYR    HB1 2358   1.722   0.676   0.069
+  167TYR    HB2 2359   1.721   0.752   0.233
+  167TYR     CG 2360   1.795   0.877   0.074
+  167TYR    CD1 2361   1.851   0.867  -0.054
+  167TYR    HD1 2362   1.828   0.783  -0.117
+  167TYR    CE1 2363   1.937   0.967  -0.103
+  167TYR    HE1 2364   1.980   0.958  -0.202
+  167TYR     CZ 2365   1.966   1.079  -0.024
+  167TYR     OH 2366   2.051   1.179  -0.075
+  167TYR     HH 2367   2.094   1.142  -0.152
+  167TYR    CD2 2368   1.829   0.988   0.153
+  167TYR    HD2 2369   1.786   0.997   0.252
+  167TYR    CE2 2370   1.913   1.089   0.105
+  167TYR    HE2 2371   1.938   1.174   0.166
+  167TYR      C 2372   1.457   0.699   0.127
+  167TYR      O 2373   1.485   0.585   0.090
+  168GLY      N 2374   1.336   0.727   0.182
+  168GLY     HN 2375   1.316   0.820   0.213
+  168GLY     CA 2376   1.225   0.633   0.184
+  168GLY    HA1 2377   1.213   0.591   0.086
+  168GLY    HA2 2378   1.137   0.687   0.216
+  168GLY      C 2379   1.242   0.517   0.278
+  168GLY      O 2380   1.198   0.406   0.248
+  169THR      N 2381   1.310   0.537   0.392
+  169THR     HN 2382   1.347   0.627   0.414
+  169THR     CA 2383   1.336   0.429   0.487
+  169THR     HA 2384   1.337   0.336   0.432
+  169THR     CB 2385   1.470   0.440   0.561
+  169THR     HB 2386   1.490   0.345   0.617
+  169THR    OG1 2387   1.475   0.547   0.655
+  169THR    HG1 2388   1.393   0.540   0.707
+  169THR    CG2 2389   1.583   0.459   0.459
+  169THR   HG21 2390   1.569   0.553   0.402
+  169THR   HG22 2391   1.584   0.374   0.388
+  169THR   HG23 2392   1.681   0.465   0.511
+  169THR      C 2393   1.226   0.418   0.591
+  169THR      O 2394   1.156   0.516   0.621
+  170GLY      N 2395   1.214   0.300   0.654
+  170GLY     HN 2396   1.261   0.219   0.617
+  170GLY     CA 2397   1.136   0.282   0.775
+  170GLY    HA1 2398   1.119   0.377   0.823
+  170GLY    HA2 2399   1.191   0.213   0.839
+  170GLY      C 2400   1.003   0.221   0.750
+  170GLY      O 2401   0.918   0.221   0.839
+  171TYR      N 2402   0.981   0.165   0.630
+  171TYR     HN 2403   1.051   0.165   0.560
+  171TYR     CA 2404   0.855   0.104   0.592
+  171TYR     HA 2405   0.779   0.180   0.607
+  171TYR     CB 2406   0.854   0.067   0.441
+  171TYR    HB1 2407   0.935  -0.007   0.421
+  171TYR    HB2 2408   0.876   0.158   0.381
+  171TYR     CG 2409   0.722   0.011   0.394
+  171TYR    CD1 2410   0.605   0.090   0.392
+  171TYR    HD1 2411   0.610   0.192   0.426
+  171TYR    CE1 2412   0.484   0.038   0.345
+  171TYR    HE1 2413   0.395   0.098   0.345
+  171TYR     CZ 2414   0.479  -0.094   0.299
+  171TYR     OH 2415   0.360  -0.150   0.247
+  171TYR     HH 2416   0.359  -0.244   0.274
+  171TYR    CD2 2417   0.713  -0.122   0.350
+  171TYR    HD2 2418   0.801  -0.184   0.352
+  171TYR    CE2 2419   0.592  -0.175   0.303
+  171TYR    HE2 2420   0.587  -0.277   0.269
+  171TYR      C 2421   0.814  -0.013   0.683
+  171TYR      O 2422   0.896  -0.086   0.738
+  172CYS      N 2423   0.682  -0.028   0.702
+  172CYS     HN 2424   0.614   0.031   0.658
+  172CYS     CA 2425   0.626  -0.135   0.779
+  172CYS     HA 2426   0.679  -0.227   0.756
+  172CYS     CB 2427   0.632  -0.104   0.931
+  172CYS    HB1 2428   0.739  -0.097   0.957
+  172CYS    HB2 2429   0.589  -0.189   0.987
+  172CYS     SG 2430   0.552   0.053   0.980
+  172CYS      C 2431   0.485  -0.153   0.731
+  172CYS      O 2432   0.425  -0.057   0.682
+  173ASP      N 2433   0.430  -0.274   0.743
+  173ASP     HN 2434   0.480  -0.351   0.784
+  173ASP     CA 2435   0.294  -0.304   0.704
+  173ASP     HA 2436   0.231  -0.225   0.745
+  173ASP     CB 2437   0.273  -0.303   0.550
+  173ASP    HB1 2438   0.316  -0.212   0.506
+  173ASP    HB2 2439   0.163  -0.298   0.532
+  173ASP     CG 2440   0.320  -0.423   0.469
+  173ASP    OD1 2441   0.288  -0.540   0.510
+  173ASP    OD2 2442   0.377  -0.402   0.361
+  173ASP      C 2443   0.253  -0.430   0.777
+  173ASP      O 2444   0.328  -0.486   0.857
+  174SER      N 2445   0.128  -0.475   0.756
+  174SER     HN 2446   0.071  -0.433   0.684
+  174SER     CA 2447   0.067  -0.583   0.831
+  174SER     HA 2448   0.097  -0.572   0.934
+  174SER     CB 2449  -0.087  -0.572   0.827
+  174SER    HB1 2450  -0.116  -0.469   0.859
+  174SER    HB2 2451  -0.132  -0.643   0.898
+  174SER     OG 2452  -0.140  -0.595   0.696
+  174SER    HG1 2453  -0.128  -0.513   0.642
+  174SER      C 2454   0.109  -0.723   0.788
+  174SER      O 2455   0.090  -0.821   0.862
+  175GLN      N 2456   0.176  -0.737   0.672
+  175GLN     HN 2457   0.191  -0.658   0.610
+  175GLN     CA 2458   0.241  -0.861   0.632
+  175GLN     HA 2459   0.177  -0.945   0.658
+  175GLN     CB 2460   0.277  -0.863   0.480
+  175GLN    HB1 2461   0.323  -0.961   0.456
+  175GLN    HB2 2462   0.352  -0.784   0.459
+  175GLN     CG 2463   0.159  -0.839   0.385
+  175GLN    HG1 2464   0.186  -0.865   0.281
+  175GLN    HG2 2465   0.133  -0.731   0.387
+  175GLN     CD 2466   0.039  -0.923   0.427
+  175GLN    OE1 2467   0.048  -1.046   0.420
+  175GLN    NE2 2468  -0.072  -0.857   0.469
+  175GLN   HE21 2469  -0.072  -0.756   0.468
+  175GLN   HE22 2470  -0.154  -0.905   0.497
+  175GLN      C 2471   0.372  -0.878   0.704
+  175GLN      O 2472   0.433  -0.985   0.703
+  176CYS      N 2473   0.419  -0.768   0.765
+  176CYS     HN 2474   0.362  -0.686   0.761
+  176CYS     CA 2475   0.548  -0.755   0.827
+  176CYS     HA 2476   0.554  -0.652   0.859
+  176CYS     CB 2477   0.559  -0.840   0.956
+  176CYS    HB1 2478   0.655  -0.817   1.005
+  176CYS    HB2 2479   0.558  -0.948   0.929
+  176CYS     SG 2480   0.421  -0.809   1.071
+  176CYS      C 2481   0.665  -0.779   0.732
+  176CYS      O 2482   0.749  -0.865   0.760
+  177PRO      N 2483   0.674  -0.706   0.619
+  177PRO     CD 2484   0.601  -0.582   0.595
+  177PRO    HD1 2485   0.575  -0.526   0.687
+  177PRO    HD2 2486   0.508  -0.609   0.540
+  177PRO     CA 2487   0.758  -0.737   0.504
+  177PRO     HA 2488   0.716  -0.825   0.458
+  177PRO     CB 2489   0.745  -0.615   0.411
+  177PRO    HB1 2490   0.666  -0.637   0.335
+  177PRO    HB2 2491   0.838  -0.587   0.358
+  177PRO     CG 2492   0.693  -0.504   0.503
+  177PRO    HG1 2493   0.776  -0.461   0.562
+  177PRO    HG2 2494   0.639  -0.424   0.448
+  177PRO      C 2495   0.902  -0.772   0.535
+  177PRO      O 2496   0.974  -0.696   0.599
+  178ARG      N 2497   0.946  -0.889   0.484
+  178ARG     HN 2498   0.883  -0.946   0.433
+  178ARG     CA 2499   1.080  -0.940   0.504
+  178ARG     HA 2500   1.128  -0.887   0.585
+  178ARG     CB 2501   1.076  -1.092   0.535
+  178ARG    HB1 2502   1.180  -1.132   0.539
+  178ARG    HB2 2503   1.023  -1.142   0.452
+  178ARG     CG 2504   1.006  -1.131   0.667
+  178ARG    HG1 2505   0.910  -1.077   0.676
+  178ARG    HG2 2506   1.069  -1.099   0.754
+  178ARG     CD 2507   0.975  -1.281   0.679
+  178ARG    HD1 2508   0.908  -1.312   0.595
+  178ARG    HD2 2509   0.924  -1.303   0.776
+  178ARG     NE 2510   1.100  -1.361   0.673
+  178ARG     HE 2511   1.190  -1.312   0.662
+  178ARG     CZ 2512   1.109  -1.491   0.679
+  178ARG    NH1 2513   0.994  -1.568   0.691
+  178ARG   HH11 2514   0.909  -1.521   0.691
+  178ARG   HH12 2515   0.999  -1.666   0.693
+  178ARG    NH2 2516   1.219  -1.553   0.675
+  178ARG   HH21 2517   1.303  -1.494   0.659
+  178ARG   HH22 2518   1.223  -1.651   0.683
+  178ARG      C 2519   1.164  -0.921   0.379
+  178ARG      O 2520   1.278  -0.964   0.373
+  179ASP      N 2521   1.110  -0.853   0.275
+  179ASP     HN 2522   1.018  -0.814   0.278
+  179ASP     CA 2523   1.181  -0.830   0.152
+  179ASP     HA 2524   1.256  -0.906   0.138
+  179ASP     CB 2525   1.082  -0.839   0.030
+  179ASP    HB1 2526   1.031  -0.937   0.032
+  179ASP    HB2 2527   1.142  -0.833  -0.063
+  179ASP     CG 2528   0.976  -0.730   0.023
+  179ASP    OD1 2529   0.964  -0.647   0.115
+  179ASP    OD2 2530   0.901  -0.729  -0.080
+  179ASP      C 2531   1.254  -0.696   0.157
+  179ASP      O 2532   1.333  -0.661   0.070
+  180LEU      N 2533   1.230  -0.617   0.264
+  180LEU     HN 2534   1.159  -0.644   0.329
+  180LEU     CA 2535   1.297  -0.492   0.288
+  180LEU     HA 2536   1.285  -0.433   0.198
+  180LEU     CB 2537   1.237  -0.411   0.405
+  180LEU    HB1 2538   1.284  -0.310   0.408
+  180LEU    HB2 2539   1.260  -0.462   0.501
+  180LEU     CG 2540   1.084  -0.392   0.398
+  180LEU     HG 2541   1.037  -0.493   0.406
+  180LEU    CD1 2542   1.036  -0.309   0.518
+  180LEU   HD11 2543   1.082  -0.208   0.518
+  180LEU   HD12 2544   1.064  -0.360   0.613
+  180LEU   HD13 2545   0.926  -0.298   0.516
+  180LEU    CD2 2546   1.038  -0.329   0.266
+  180LEU   HD21 2547   1.071  -0.391   0.179
+  180LEU   HD22 2548   1.078  -0.226   0.255
+  180LEU   HD23 2549   0.927  -0.326   0.262
+  180LEU      C 2550   1.446  -0.511   0.309
+  180LEU      O 2551   1.492  -0.593   0.387
+  181LYS      N 2552   1.526  -0.432   0.235
+  181LYS     HN 2553   1.486  -0.368   0.170
+  181LYS     CA 2554   1.669  -0.448   0.238
+  181LYS     HA 2555   1.691  -0.554   0.248
+  181LYS     CB 2556   1.729  -0.403   0.103
+  181LYS    HB1 2557   1.838  -0.386   0.111
+  181LYS    HB2 2558   1.681  -0.306   0.076
+  181LYS     CG 2559   1.704  -0.507  -0.007
+  181LYS    HG1 2560   1.596  -0.532  -0.013
+  181LYS    HG2 2561   1.757  -0.602   0.021
+  181LYS     CD 2562   1.753  -0.464  -0.146
+  181LYS    HD1 2563   1.743  -0.553  -0.212
+  181LYS    HD2 2564   1.861  -0.438  -0.139
+  181LYS     CE 2565   1.673  -0.348  -0.206
+  181LYS    HE1 2566   1.687  -0.255  -0.147
+  181LYS    HE2 2567   1.564  -0.374  -0.208
+  181LYS     NZ 2568   1.714  -0.319  -0.345
+  181LYS    HZ1 2569   1.706  -0.403  -0.405
+  181LYS    HZ2 2570   1.811  -0.284  -0.346
+  181LYS    HZ3 2571   1.651  -0.245  -0.386
+  181LYS      C 2572   1.737  -0.384   0.358
+  181LYS      O 2573   1.845  -0.424   0.398
+  182PHE      N 2574   1.669  -0.286   0.421
+  182PHE     HN 2575   1.579  -0.259   0.389
+  182PHE     CA 2576   1.717  -0.225   0.543
+  182PHE     HA 2577   1.789  -0.290   0.589
+  182PHE     CB 2578   1.780  -0.084   0.523
+  182PHE    HB1 2579   1.805  -0.038   0.620
+  182PHE    HB2 2580   1.709  -0.018   0.469
+  182PHE     CG 2581   1.907  -0.095   0.443
+  182PHE    CD1 2582   2.030  -0.119   0.507
+  182PHE    HD1 2583   2.032  -0.130   0.615
+  182PHE    CE1 2584   2.148  -0.131   0.434
+  182PHE    HE1 2585   2.241  -0.152   0.484
+  182PHE     CZ 2586   2.145  -0.117   0.294
+  182PHE     HZ 2587   2.237  -0.127   0.237
+  182PHE    CD2 2588   1.906  -0.078   0.304
+  182PHE    HD2 2589   1.813  -0.058   0.254
+  182PHE    CE2 2590   2.024  -0.090   0.229
+  182PHE    HE2 2591   2.021  -0.078   0.122
+  182PHE      C 2592   1.604  -0.214   0.643
+  182PHE      O 2593   1.500  -0.152   0.615
+  183ILE      N 2594   1.621  -0.272   0.762
+  183ILE     HN 2595   1.709  -0.317   0.783
+  183ILE     CA 2596   1.523  -0.273   0.870
+  183ILE     HA 2597   1.448  -0.198   0.850
+  183ILE     CB 2598   1.451  -0.407   0.887
+  183ILE     HB 2599   1.526  -0.487   0.910
+  183ILE    CG2 2600   1.350  -0.398   1.004
+  183ILE   HG21 2601   1.275  -0.318   0.985
+  183ILE   HG22 2602   1.400  -0.377   1.101
+  183ILE   HG23 2603   1.295  -0.494   1.016
+  183ILE    CG1 2604   1.379  -0.450   0.756
+  183ILE   HG11 2605   1.452  -0.449   0.671
+  183ILE   HG12 2606   1.300  -0.375   0.732
+  183ILE     CD 2607   1.318  -0.590   0.761
+  183ILE    HD1 2608   1.237  -0.596   0.836
+  183ILE    HD2 2609   1.395  -0.666   0.786
+  183ILE    HD3 2610   1.274  -0.618   0.662
+  183ILE      C 2611   1.598  -0.235   0.997
+  183ILE      O 2612   1.701  -0.292   1.030
+  184ASN      N 2613   1.549  -0.131   1.069
+  184ASN     HN 2614   1.464  -0.089   1.041
+  184ASN     CA 2615   1.606  -0.084   1.195
+  184ASN     HA 2616   1.548   0.003   1.222
+  184ASN     CB 2617   1.595  -0.185   1.313
+  184ASN    HB1 2618   1.652  -0.149   1.401
+  184ASN    HB2 2619   1.637  -0.284   1.283
+  184ASN     CG 2620   1.450  -0.201   1.354
+  184ASN    OD1 2621   1.355  -0.166   1.286
+  184ASN    ND2 2622   1.432  -0.254   1.478
+  184ASN   HD21 2623   1.337  -0.268   1.505
+  184ASN   HD22 2624   1.512  -0.284   1.529
+  184ASN      C 2625   1.748  -0.030   1.185
+  184ASN      O 2626   1.829  -0.038   1.276
+  185GLY      N 2627   1.779   0.031   1.068
+  185GLY     HN 2628   1.712   0.028   0.996
+  185GLY     CA 2629   1.909   0.090   1.040
+  185GLY    HA1 2630   1.939   0.152   1.123
+  185GLY    HA2 2631   1.901   0.145   0.947
+  185GLY      C 2632   2.019  -0.011   1.020
+  185GLY      O 2633   2.135   0.020   1.029
+  186GLN      N 2634   1.979  -0.137   0.991
+  186GLN     HN 2635   1.882  -0.160   0.987
+  186GLN     CA 2636   2.067  -0.247   0.966
+  186GLN     HA 2637   2.169  -0.214   0.955
+  186GLN     CB 2638   2.057  -0.356   1.076
+  186GLN    HB1 2639   2.137  -0.431   1.055
+  186GLN    HB2 2640   1.958  -0.407   1.069
+  186GLN     CG 2641   2.076  -0.303   1.219
+  186GLN    HG1 2642   1.993  -0.237   1.249
+  186GLN    HG2 2643   2.171  -0.245   1.226
+  186GLN     CD 2644   2.086  -0.419   1.318
+  186GLN    OE1 2645   2.189  -0.439   1.383
+  186GLN    NE2 2646   1.978  -0.499   1.330
+  186GLN   HE21 2647   1.985  -0.577   1.392
+  186GLN   HE22 2648   1.898  -0.481   1.274
+  186GLN      C 2649   2.020  -0.308   0.836
+  186GLN      O 2650   1.907  -0.280   0.792
+  187ALA      N 2651   2.102  -0.389   0.770
+  187ALA     HN 2652   2.194  -0.411   0.805
+  187ALA     CA 2653   2.059  -0.461   0.652
+  187ALA     HA 2654   1.993  -0.397   0.595
+  187ALA     CB 2655   2.179  -0.497   0.563
+  187ALA    HB1 2656   2.247  -0.567   0.614
+  187ALA    HB2 2657   2.235  -0.404   0.539
+  187ALA    HB3 2658   2.146  -0.542   0.466
+  187ALA      C 2659   1.981  -0.586   0.689
+  187ALA      O 2660   1.964  -0.618   0.806
+  188ASN      N 2661   1.929  -0.656   0.587
+  188ASN     HN 2662   1.937  -0.621   0.495
+  188ASN     CA 2663   1.851  -0.777   0.605
+  188ASN     HA 2664   1.847  -0.803   0.711
+  188ASN     CB 2665   1.709  -0.752   0.549
+  188ASN    HB1 2666   1.707  -0.761   0.439
+  188ASN    HB2 2667   1.679  -0.648   0.576
+  188ASN     CG 2668   1.605  -0.845   0.612
+  188ASN    OD1 2669   1.632  -0.923   0.704
+  188ASN    ND2 2670   1.480  -0.837   0.561
+  188ASN   HD21 2671   1.408  -0.891   0.603
+  188ASN   HD22 2672   1.462  -0.771   0.487
+  188ASN      C 2673   1.922  -0.892   0.535
+  188ASN      O 2674   1.862  -0.993   0.498
+  189VAL      N 2675   2.054  -0.878   0.512
+  189VAL     HN 2676   2.099  -0.798   0.549
+  189VAL     CA 2677   2.140  -0.975   0.444
+  189VAL     HA 2678   2.093  -0.995   0.349
+  189VAL     CB 2679   2.279  -0.918   0.415
+  189VAL     HB 2680   2.266  -0.829   0.349
+  189VAL    CG1 2681   2.351  -0.871   0.544
+  189VAL   HG11 2682   2.364  -0.955   0.615
+  189VAL   HG12 2683   2.295  -0.791   0.595
+  189VAL   HG13 2684   2.452  -0.833   0.520
+  189VAL    CG2 2685   2.365  -1.021   0.339
+  189VAL   HG21 2686   2.309  -1.064   0.254
+  189VAL   HG22 2687   2.395  -1.105   0.406
+  189VAL   HG23 2688   2.458  -0.973   0.301
+  189VAL      C 2689   2.146  -1.109   0.514
+  189VAL      O 2690   2.147  -1.215   0.449
+  190GLU      N 2691   2.148  -1.113   0.649
+  190GLU     HN 2692   2.146  -1.027   0.702
+  190GLU     CA 2693   2.143  -1.236   0.724
+  190GLU     HA 2694   2.222  -1.299   0.685
+  190GLU     CB 2695   2.170  -1.216   0.874
+  190GLU    HB1 2696   2.153  -1.312   0.929
+  190GLU    HB2 2697   2.096  -1.143   0.913
+  190GLU     CG 2698   2.314  -1.169   0.905
+  190GLU    HG1 2699   2.338  -1.080   0.844
+  190GLU    HG2 2700   2.385  -1.250   0.879
+  190GLU     CD 2701   2.331  -1.131   1.052
+  190GLU    OE1 2702   2.289  -1.211   1.140
+  190GLU    OE2 2703   2.384  -1.020   1.078
+  190GLU      C 2704   2.015  -1.314   0.706
+  190GLU      O 2705   1.903  -1.267   0.739
+  191GLY      N 2706   2.023  -1.436   0.654
+  191GLY     HN 2707   2.114  -1.468   0.623
+  191GLY     CA 2708   1.908  -1.521   0.627
+  191GLY    HA1 2709   1.836  -1.510   0.707
+  191GLY    HA2 2710   1.944  -1.621   0.615
+  191GLY      C 2711   1.837  -1.486   0.500
+  191GLY      O 2712   1.717  -1.513   0.487
+  192TRP      N 2713   1.909  -1.428   0.403
+  192TRP     HN 2714   2.006  -1.407   0.416
+  192TRP     CA 2715   1.853  -1.387   0.276
+  192TRP     HA 2716   1.752  -1.354   0.294
+  192TRP     CB 2717   1.933  -1.267   0.218
+  192TRP    HB1 2718   2.037  -1.300   0.198
+  192TRP    HB2 2719   1.938  -1.190   0.299
+  192TRP     CG 2720   1.876  -1.202   0.096
+  192TRP    CD1 2721   1.905  -1.232  -0.035
+  192TRP    HD1 2722   1.971  -1.313  -0.065
+  192TRP    NE1 2723   1.835  -1.149  -0.118
+  192TRP    HE1 2724   1.835  -1.151  -0.217
+  192TRP    CE2 2725   1.758  -1.064  -0.044
+  192TRP    CD2 2726   1.782  -1.094   0.093
+  192TRP    CE3 2727   1.717  -1.019   0.191
+  192TRP    HE3 2728   1.733  -1.040   0.296
+  192TRP    CZ3 2729   1.628  -0.918   0.153
+  192TRP    HZ3 2730   1.574  -0.862   0.228
+  192TRP    CZ2 2731   1.671  -0.963  -0.082
+  192TRP    HZ2 2732   1.651  -0.943  -0.186
+  192TRP    CH2 2733   1.605  -0.891   0.018
+  192TRP    HH2 2734   1.533  -0.814  -0.009
+  192TRP      C 2735   1.847  -1.501   0.176
+  192TRP      O 2736   1.946  -1.561   0.139
+  193GLU      N 2737   1.723  -1.529   0.129
+  193GLU     HN 2738   1.645  -1.479   0.165
+  193GLU     CA 2739   1.697  -1.627   0.026
+  193GLU     HA 2740   1.786  -1.684   0.003
+  193GLU     CB 2741   1.588  -1.728   0.071
+  193GLU    HB1 2742   1.552  -1.787  -0.016
+  193GLU    HB2 2743   1.502  -1.670   0.111
+  193GLU     CG 2744   1.635  -1.827   0.181
+  193GLU    HG1 2745   1.548  -1.886   0.215
+  193GLU    HG2 2746   1.677  -1.770   0.267
+  193GLU     CD 2747   1.741  -1.928   0.136
+  193GLU    OE1 2748   1.720  -1.990   0.026
+  193GLU    OE2 2749   1.835  -1.953   0.213
+  193GLU      C 2750   1.649  -1.553  -0.096
+  193GLU      O 2751   1.539  -1.490  -0.088
+  194PRO      N 2752   1.717  -1.546  -0.208
+  194PRO     CD 2753   1.856  -1.594  -0.222
+  194PRO    HD1 2754   1.852  -1.705  -0.233
+  194PRO    HD2 2755   1.918  -1.565  -0.135
+  194PRO     CA 2756   1.666  -1.498  -0.335
+  194PRO     HA 2757   1.649  -1.391  -0.323
+  194PRO     CB 2758   1.777  -1.528  -0.436
+  194PRO    HB1 2759   1.782  -1.452  -0.516
+  194PRO    HB2 2760   1.763  -1.628  -0.482
+  194PRO     CG 2761   1.904  -1.530  -0.351
+  194PRO    HG1 2762   1.986  -1.586  -0.400
+  194PRO    HG2 2763   1.936  -1.425  -0.331
+  194PRO      C 2764   1.531  -1.556  -0.377
+  194PRO      O 2765   1.507  -1.677  -0.362
+  195SER      N 2766   1.441  -1.472  -0.429
+  195SER     HN 2767   1.457  -1.373  -0.434
+  195SER     CA 2768   1.317  -1.517  -0.490
+  195SER     HA 2769   1.269  -1.583  -0.420
+  195SER     CB 2770   1.218  -1.402  -0.520
+  195SER    HB1 2771   1.127  -1.440  -0.572
+  195SER    HB2 2772   1.268  -1.326  -0.584
+  195SER     OG 2773   1.177  -1.343  -0.397
+  195SER    HG1 2774   1.152  -1.251  -0.418
+  195SER      C 2775   1.341  -1.596  -0.617
+  195SER      O 2776   1.431  -1.570  -0.695
+  196SER      N 2777   1.257  -1.699  -0.640
+  196SER     HN 2778   1.184  -1.722  -0.576
+  196SER     CA 2779   1.281  -1.794  -0.748
+  196SER     HA 2780   1.387  -1.803  -0.766
+  196SER     CB 2781   1.224  -1.933  -0.711
+  196SER    HB1 2782   1.247  -2.007  -0.790
+  196SER    HB2 2783   1.113  -1.927  -0.701
+  196SER     OG 2784   1.279  -1.978  -0.586
+  196SER    HG1 2785   1.374  -1.988  -0.600
+  196SER      C 2786   1.215  -1.751  -0.877
+  196SER      O 2787   1.247  -1.802  -0.984
+  197ASN      N 2788   1.122  -1.654  -0.869
+  197ASN     HN 2789   1.096  -1.614  -0.781
+  197ASN     CA 2790   1.045  -1.605  -0.982
+  197ASN     HA 2791   1.078  -1.653  -1.073
+  197ASN     CB 2792   0.894  -1.634  -0.960
+  197ASN    HB1 2793   0.883  -1.743  -0.945
+  197ASN    HB2 2794   0.837  -1.604  -1.051
+  197ASN     CG 2795   0.830  -1.567  -0.838
+  197ASN    OD1 2796   0.899  -1.523  -0.743
+  197ASN    ND2 2797   0.696  -1.559  -0.837
+  197ASN   HD21 2798   0.648  -1.519  -0.759
+  197ASN   HD22 2799   0.644  -1.589  -0.918
+  197ASN      C 2800   1.066  -1.456  -1.003
+  197ASN      O 2801   1.002  -1.398  -1.090
+  198ASN      N 2802   1.153  -1.391  -0.925
+  198ASN     HN 2803   1.210  -1.440  -0.859
+  198ASN     CA 2804   1.173  -1.249  -0.933
+  198ASN     HA 2805   1.146  -1.214  -1.032
+  198ASN     CB 2806   1.086  -1.175  -0.827
+  198ASN    HB1 2807   1.121  -1.203  -0.725
+  198ASN    HB2 2808   0.982  -1.212  -0.838
+  198ASN     CG 2809   1.088  -1.022  -0.837
+  198ASN    OD1 2810   1.184  -0.961  -0.887
+  198ASN    ND2 2811   0.979  -0.957  -0.790
+  198ASN   HD21 2812   0.973  -0.859  -0.805
+  198ASN   HD22 2813   0.898  -1.009  -0.765
+  198ASN      C 2814   1.322  -1.225  -0.916
+  198ASN      O 2815   1.388  -1.280  -0.831
+  199ALA      N 2816   1.377  -1.140  -1.004
+  199ALA     HN 2817   1.317  -1.092  -1.068
+  199ALA     CA 2818   1.519  -1.119  -1.017
+  199ALA     HA 2819   1.572  -1.205  -0.979
+  199ALA     CB 2820   1.549  -1.098  -1.166
+  199ALA    HB1 2821   1.494  -1.010  -1.204
+  199ALA    HB2 2822   1.517  -1.187  -1.223
+  199ALA    HB3 2823   1.658  -1.082  -1.184
+  199ALA      C 2824   1.566  -0.998  -0.939
+  199ALA      O 2825   1.683  -0.961  -0.947
+  200ASN      N 2826   1.476  -0.933  -0.862
+  200ASN     HN 2827   1.380  -0.962  -0.863
+  200ASN     CA 2828   1.510  -0.815  -0.785
+  200ASN     HA 2829   1.617  -0.801  -0.783
+  200ASN     CB 2830   1.440  -0.691  -0.846
+  200ASN    HB1 2831   1.455  -0.601  -0.783
+  200ASN    HB2 2832   1.331  -0.709  -0.857
+  200ASN     CG 2833   1.496  -0.661  -0.984
+  200ASN    OD1 2834   1.428  -0.664  -1.087
+  200ASN    ND2 2835   1.627  -0.629  -0.990
+  200ASN   HD21 2836   1.660  -0.605  -1.082
+  200ASN   HD22 2837   1.685  -0.644  -0.911
+  200ASN      C 2838   1.471  -0.827  -0.638
+  200ASN      O 2839   1.494  -0.735  -0.561
+  201THR      N 2840   1.416  -0.943  -0.594
+  201THR     HN 2841   1.406  -1.022  -0.653
+  201THR     CA 2842   1.365  -0.959  -0.458
+  201THR     HA 2843   1.402  -0.878  -0.396
+  201THR     CB 2844   1.212  -0.961  -0.444
+  201THR     HB 2845   1.183  -0.967  -0.336
+  201THR    OG1 2846   1.150  -1.069  -0.513
+  201THR    HG1 2847   1.056  -1.053  -0.501
+  201THR    CG2 2848   1.155  -0.830  -0.500
+  201THR   HG21 2849   1.180  -0.816  -0.607
+  201THR   HG22 2850   1.196  -0.745  -0.442
+  201THR   HG23 2851   1.044  -0.826  -0.490
+  201THR      C 2852   1.419  -1.085  -0.396
+  201THR      O 2853   1.462  -1.179  -0.463
+  202GLY      N 2854   1.417  -1.088  -0.262
+  202GLY     HN 2855   1.383  -1.011  -0.208
+  202GLY     CA 2856   1.443  -1.206  -0.184
+  202GLY    HA1 2857   1.549  -1.213  -0.164
+  202GLY    HA2 2858   1.400  -1.293  -0.232
+  202GLY      C 2859   1.372  -1.187  -0.056
+  202GLY      O 2860   1.300  -1.088  -0.038
+  203ILE      N 2861   1.389  -1.281   0.036
+  203ILE     HN 2862   1.447  -1.361   0.015
+  203ILE     CA 2863   1.327  -1.279   0.167
+  203ILE     HA 2864   1.277  -1.184   0.184
+  203ILE     CB 2865   1.225  -1.392   0.184
+  203ILE     HB 2866   1.275  -1.488   0.157
+  203ILE    CG2 2867   1.177  -1.401   0.331
+  203ILE   HG21 2868   1.131  -1.306   0.362
+  203ILE   HG22 2869   1.261  -1.425   0.400
+  203ILE   HG23 2870   1.102  -1.482   0.343
+  203ILE    CG1 2871   1.107  -1.371   0.086
+  203ILE   HG11 2872   1.146  -1.361  -0.017
+  203ILE   HG12 2873   1.058  -1.274   0.112
+  203ILE     CD 2874   1.003  -1.484   0.088
+  203ILE    HD1 2875   0.952  -1.490   0.187
+  203ILE    HD2 2876   1.052  -1.582   0.068
+  203ILE    HD3 2877   0.925  -1.467   0.011
+  203ILE      C 2878   1.439  -1.289   0.267
+  203ILE      O 2879   1.514  -1.386   0.268
+  204GLY      N 2880   1.455  -1.186   0.353
+  204GLY     HN 2881   1.395  -1.106   0.347
+  204GLY     CA 2882   1.553  -1.185   0.460
+  204GLY    HA1 2883   1.576  -1.082   0.481
+  204GLY    HA2 2884   1.642  -1.238   0.428
+  204GLY      C 2885   1.508  -1.248   0.588
+  204GLY      O 2886   1.400  -1.312   0.599
+  205GLY      N 2887   1.589  -1.233   0.693
+  205GLY     HN 2888   1.674  -1.180   0.683
+  205GLY     CA 2889   1.564  -1.293   0.824
+  205GLY    HA1 2890   1.660  -1.299   0.874
+  205GLY    HA2 2891   1.518  -1.389   0.810
+  205GLY      C 2892   1.475  -1.211   0.912
+  205GLY      O 2893   1.411  -1.265   1.003
+  206HSD      N 2894   1.469  -1.079   0.891
+  206HSD     HN 2895   1.522  -1.038   0.817
+  206HSD     CA 2896   1.389  -0.988   0.970
+  206HSD     HA 2897   1.348  -1.038   1.057
+  206HSD     CB 2898   1.470  -0.865   1.016
+  206HSD    HB1 2899   1.407  -0.797   1.077
+  206HSD    HB2 2900   1.505  -0.809   0.926
+  206HSD    ND1 2901   1.710  -0.832   1.092
+  206HSD    HD1 2902   1.730  -0.754   1.033
+  206HSD     CG 2903   1.592  -0.901   1.097
+  206HSD    CE1 2904   1.798  -0.896   1.174
+  206HSD    HE1 2905   1.899  -0.861   1.194
+  206HSD    NE2 2906   1.744  -1.003   1.229
+  206HSD    CD2 2907   1.613  -1.005   1.183
+  206HSD    HD2 2908   1.544  -1.081   1.217
+  206HSD      C 2909   1.273  -0.937   0.888
+  206HSD      O 2910   1.279  -0.933   0.765
+  207GLY      N 2911   1.164  -0.896   0.956
+  207GLY     HN 2912   1.162  -0.906   1.056
+  207GLY     CA 2913   1.050  -0.829   0.896
+  207GLY    HA1 2914   0.964  -0.893   0.905
+  207GLY    HA2 2915   1.072  -0.801   0.794
+  207GLY      C 2916   1.022  -0.701   0.971
+  207GLY      O 2917   1.087  -0.670   1.069
+  208SER      N 2918   0.922  -0.624   0.924
+  208SER     HN 2919   0.871  -0.651   0.843
+  208SER     CA 2920   0.890  -0.495   0.986
+  208SER     HA 2921   0.929  -0.492   1.087
+  208SER     CB 2922   0.952  -0.380   0.903
+  208SER    HB1 2923   0.903  -0.375   0.803
+  208SER    HB2 2924   1.059  -0.406   0.886
+  208SER     OG 2925   0.948  -0.252   0.966
+  208SER    HG1 2926   0.939  -0.189   0.892
+  208SER      C 2927   0.740  -0.480   0.998
+  208SER      O 2928   0.671  -0.447   0.900
+  209CYS      N 2929   0.683  -0.503   1.117
+  209CYS     HN 2930   0.741  -0.519   1.197
+  209CYS     CA 2931   0.540  -0.498   1.143
+  209CYS     HA 2932   0.485  -0.530   1.055
+  209CYS     CB 2933   0.500  -0.585   1.266
+  209CYS    HB1 2934   0.395  -0.563   1.296
+  209CYS    HB2 2935   0.564  -0.555   1.352
+  209CYS     SG 2936   0.512  -0.765   1.247
+  209CYS      C 2937   0.496  -0.357   1.179
+  209CYS      O 2938   0.565  -0.287   1.251
+  210CYS      N 2939   0.376  -0.315   1.132
+  210CYS     HN 2940   0.326  -0.366   1.061
+  210CYS     CA 2941   0.301  -0.208   1.196
+  210CYS     HA 2942   0.300  -0.229   1.302
+  210CYS     CB 2943   0.357  -0.064   1.176
+  210CYS    HB1 2944   0.461  -0.064   1.215
+  210CYS    HB2 2945   0.300   0.007   1.240
+  210CYS     SG 2946   0.359  -0.001   1.006
+  210CYS      C 2947   0.157  -0.213   1.152
+  210CYS      O 2948   0.122  -0.283   1.057
+  211SER      N 2949   0.068  -0.141   1.223
+  211SER     HN 2950   0.101  -0.085   1.299
+  211SER     CA 2951  -0.072  -0.126   1.186
+  211SER     HA 2952  -0.115  -0.225   1.177
+  211SER     CB 2953  -0.154  -0.046   1.291
+  211SER    HB1 2954  -0.261  -0.038   1.260
+  211SER    HB2 2955  -0.112   0.057   1.299
+  211SER     OG 2956  -0.148  -0.109   1.419
+  211SER    HG1 2957  -0.054  -0.115   1.439
+  211SER      C 2958  -0.094  -0.056   1.053
+  211SER      O 2959  -0.018   0.034   1.016
+  212GLU      N 2960  -0.200  -0.095   0.980
+  212GLU     HN 2961  -0.264  -0.164   1.013
+  212GLU     CA 2962  -0.220  -0.056   0.843
+  212GLU     HA 2963  -0.169   0.038   0.824
+  212GLU     CB 2964  -0.159  -0.163   0.749
+  212GLU    HB1 2965  -0.192  -0.264   0.783
+  212GLU    HB2 2966  -0.049  -0.159   0.762
+  212GLU     CG 2967  -0.193  -0.152   0.599
+  212GLU    HG1 2968  -0.180  -0.048   0.562
+  212GLU    HG2 2969  -0.297  -0.184   0.576
+  212GLU     CD 2970  -0.098  -0.243   0.521
+  212GLU    OE1 2971  -0.087  -0.364   0.557
+  212GLU    OE2 2972  -0.028  -0.190   0.431
+  212GLU      C 2973  -0.366  -0.032   0.813
+  212GLU      O 2974  -0.455  -0.100   0.865
+  213MET      N 2975  -0.395   0.071   0.732
+  213MET     HN 2976  -0.319   0.123   0.691
+  213MET     CA 2977  -0.528   0.101   0.687
+  213MET     HA 2978  -0.598   0.024   0.718
+  213MET     CB 2979  -0.572   0.241   0.737
+  213MET    HB1 2980  -0.505   0.318   0.695
+  213MET    HB2 2981  -0.558   0.247   0.847
+  213MET     CG 2982  -0.718   0.278   0.701
+  213MET    HG1 2983  -0.728   0.282   0.591
+  213MET    HG2 2984  -0.736   0.381   0.739
+  213MET     SD 2985  -0.841   0.165   0.771
+  213MET     CE 2986  -0.922   0.121   0.616
+  213MET    HE1 2987  -0.854   0.060   0.553
+  213MET    HE2 2988  -0.952   0.211   0.558
+  213MET    HE3 2989  -1.013   0.059   0.634
+  213MET      C 2990  -0.527   0.105   0.536
+  213MET      O 2991  -0.484   0.204   0.477
+  214ASP      N 2992  -0.583   0.003   0.469
+  214ASP     HN 2993  -0.618  -0.080   0.513
+  214ASP     CA 2994  -0.603   0.006   0.326
+  214ASP     HA 2995  -0.522   0.062   0.280
+  214ASP     CB 2996  -0.610  -0.134   0.263
+  214ASP    HB1 2997  -0.666  -0.133   0.166
+  214ASP    HB2 2998  -0.658  -0.207   0.331
+  214ASP     CG 2999  -0.471  -0.180   0.227
+  214ASP    OD1 3000  -0.408  -0.106   0.146
+  214ASP    OD2 3001  -0.431  -0.289   0.269
+  214ASP      C 3002  -0.729   0.081   0.295
+  214ASP      O 3003  -0.842   0.031   0.305
+  215ILE      N 3004  -0.715   0.209   0.259
+  215ILE     HN 3005  -0.623   0.247   0.256
+  215ILE     CA 3006  -0.823   0.289   0.205
+  215ILE     HA 3007  -0.906   0.285   0.275
+  215ILE     CB 3008  -0.780   0.434   0.182
+  215ILE     HB 3009  -0.698   0.435   0.106
+  215ILE    CG2 3010  -0.897   0.517   0.123
+  215ILE   HG21 3011  -0.986   0.507   0.189
+  215ILE   HG22 3012  -0.924   0.481   0.022
+  215ILE   HG23 3013  -0.867   0.623   0.116
+  215ILE    CG1 3014  -0.721   0.500   0.309
+  215ILE   HG11 3015  -0.676   0.597   0.277
+  215ILE   HG12 3016  -0.637   0.438   0.348
+  215ILE     CD 3017  -0.823   0.526   0.420
+  215ILE    HD1 3018  -0.874   0.431   0.448
+  215ILE    HD2 3019  -0.900   0.599   0.388
+  215ILE    HD3 3020  -0.771   0.565   0.510
+  215ILE      C 3021  -0.873   0.232   0.073
+  215ILE      O 3022  -0.991   0.224   0.046
+  216TRP      N 3023  -0.775   0.194  -0.011
+  216TRP     HN 3024  -0.679   0.197   0.015
+  216TRP     CA 3025  -0.803   0.156  -0.147
+  216TRP     HA 3026  -0.901   0.112  -0.154
+  216TRP     CB 3027  -0.787   0.283  -0.234
+  216TRP    HB1 3028  -0.681   0.317  -0.229
+  216TRP    HB2 3029  -0.847   0.362  -0.185
+  216TRP     CG 3030  -0.830   0.275  -0.377
+  216TRP    CD1 3031  -0.750   0.287  -0.488
+  216TRP    HD1 3032  -0.642   0.287  -0.486
+  216TRP    NE1 3033  -0.829   0.287  -0.601
+  216TRP    HE1 3034  -0.798   0.276  -0.693
+  216TRP    CE2 3035  -0.960   0.272  -0.565
+  216TRP    CD2 3036  -0.965   0.263  -0.424
+  216TRP    CE3 3037  -1.087   0.245  -0.360
+  216TRP    HE3 3038  -1.093   0.233  -0.253
+  216TRP    CZ3 3039  -1.202   0.234  -0.438
+  216TRP    HZ3 3040  -1.297   0.212  -0.390
+  216TRP    CZ2 3041  -1.075   0.263  -0.642
+  216TRP    HZ2 3042  -1.071   0.266  -0.750
+  216TRP    CH2 3043  -1.196   0.243  -0.577
+  216TRP    HH2 3044  -1.287   0.229  -0.634
+  216TRP      C 3045  -0.700   0.055  -0.190
+  216TRP      O 3046  -0.581   0.078  -0.181
+  217GLU      N 3047  -0.750  -0.057  -0.244
+  217GLU     HN 3048  -0.848  -0.075  -0.243
+  217GLU     CA 3049  -0.672  -0.149  -0.321
+  217GLU     HA 3050  -0.581  -0.105  -0.358
+  217GLU     CB 3051  -0.646  -0.280  -0.244
+  217GLU    HB1 3052  -0.604  -0.356  -0.313
+  217GLU    HB2 3053  -0.743  -0.319  -0.206
+  217GLU     CG 3054  -0.552  -0.261  -0.124
+  217GLU    HG1 3055  -0.596  -0.193  -0.047
+  217GLU    HG2 3056  -0.454  -0.217  -0.154
+  217GLU     CD 3057  -0.529  -0.394  -0.062
+  217GLU    OE1 3058  -0.615  -0.459   0.007
+  217GLU    OE2 3059  -0.407  -0.450  -0.087
+  217GLU    HE2 3060  -0.393  -0.518  -0.022
+  217GLU      C 3061  -0.763  -0.180  -0.435
+  217GLU      O 3062  -0.873  -0.228  -0.414
+  218ALA      N 3063  -0.724  -0.148  -0.559
+  218ALA     HN 3064  -0.634  -0.110  -0.579
+  218ALA     CA 3065  -0.817  -0.167  -0.667
+  218ALA     HA 3066  -0.866  -0.263  -0.653
+  218ALA     CB 3067  -0.924  -0.055  -0.672
+  218ALA    HB1 3068  -0.878   0.041  -0.700
+  218ALA    HB2 3069  -0.972  -0.044  -0.573
+  218ALA    HB3 3070  -1.003  -0.080  -0.745
+  218ALA      C 3071  -0.750  -0.174  -0.801
+  218ALA      O 3072  -0.638  -0.127  -0.825
+  219ASN      N 3073  -0.824  -0.233  -0.894
+  219ASN     HN 3074  -0.911  -0.275  -0.867
+  219ASN     CA 3075  -0.798  -0.225  -1.035
+  219ASN     HA 3076  -0.734  -0.140  -1.054
+  219ASN     CB 3077  -0.727  -0.353  -1.089
+  219ASN    HB1 3078  -0.626  -0.354  -1.043
+  219ASN    HB2 3079  -0.714  -0.349  -1.198
+  219ASN     CG 3080  -0.799  -0.484  -1.054
+  219ASN    OD1 3081  -0.920  -0.489  -1.039
+  219ASN    ND2 3082  -0.718  -0.594  -1.044
+  219ASN   HD21 3083  -0.756  -0.684  -1.025
+  219ASN   HD22 3084  -0.619  -0.581  -1.046
+  219ASN      C 3085  -0.932  -0.190  -1.097
+  219ASN      O 3086  -1.022  -0.138  -1.031
+  220SER      N 3087  -0.949  -0.214  -1.228
+  220SER     HN 3088  -0.875  -0.250  -1.284
+  220SER     CA 3089  -1.076  -0.185  -1.293
+  220SER     HA 3090  -1.112  -0.091  -1.254
+  220SER     CB 3091  -1.063  -0.170  -1.447
+  220SER    HB1 3092  -0.990  -0.088  -1.467
+  220SER    HB2 3093  -1.160  -0.139  -1.491
+  220SER     OG 3094  -1.016  -0.288  -1.512
+  220SER    HG1 3095  -0.925  -0.300  -1.482
+  220SER      C 3096  -1.185  -0.287  -1.264
+  220SER      O 3097  -1.302  -0.261  -1.294
+  221ILE      N 3098  -1.150  -0.404  -1.206
+  221ILE     HN 3099  -1.056  -0.420  -1.176
+  221ILE     CA 3100  -1.242  -0.514  -1.186
+  221ILE     HA 3101  -1.328  -0.502  -1.250
+  221ILE     CB 3102  -1.174  -0.647  -1.221
+  221ILE     HB 3103  -1.085  -0.662  -1.154
+  221ILE    CG2 3104  -1.271  -0.766  -1.195
+  221ILE   HG21 3105  -1.367  -0.749  -1.246
+  221ILE   HG22 3106  -1.290  -0.778  -1.086
+  221ILE   HG23 3107  -1.226  -0.860  -1.232
+  221ILE    CG1 3108  -1.121  -0.647  -1.367
+  221ILE   HG11 3109  -1.077  -0.747  -1.387
+  221ILE   HG12 3110  -1.039  -0.573  -1.376
+  221ILE     CD 3111  -1.227  -0.618  -1.474
+  221ILE    HD1 3112  -1.270  -0.517  -1.459
+  221ILE    HD2 3113  -1.309  -0.693  -1.469
+  221ILE    HD3 3114  -1.181  -0.622  -1.575
+  221ILE      C 3115  -1.298  -0.516  -1.045
+  221ILE      O 3116  -1.418  -0.527  -1.026
+  222SER      N 3117  -1.211  -0.500  -0.942
+  222SER     HN 3118  -1.113  -0.485  -0.959
+  222SER     CA 3119  -1.252  -0.510  -0.803
+  222SER     HA 3120  -1.357  -0.487  -0.795
+  222SER     CB 3121  -1.227  -0.651  -0.742
+  222SER    HB1 3122  -1.255  -0.652  -0.634
+  222SER    HB2 3123  -1.120  -0.677  -0.750
+  222SER     OG 3124  -1.306  -0.752  -0.806
+  222SER    HG1 3125  -1.313  -0.825  -0.742
+  222SER      C 3126  -1.180  -0.408  -0.718
+  222SER      O 3127  -1.081  -0.347  -0.762
+  223GLU      N 3128  -1.231  -0.384  -0.596
+  223GLU     HN 3129  -1.310  -0.434  -0.560
+  223GLU     CA 3130  -1.177  -0.289  -0.501
+  223GLU     HA 3131  -1.070  -0.286  -0.514
+  223GLU     CB 3132  -1.236  -0.146  -0.517
+  223GLU    HB1 3133  -1.211  -0.116  -0.622
+  223GLU    HB2 3134  -1.183  -0.074  -0.450
+  223GLU     CG 3135  -1.391  -0.132  -0.501
+  223GLU    HG1 3136  -1.439  -0.231  -0.512
+  223GLU    HG2 3137  -1.426  -0.069  -0.585
+  223GLU     CD 3138  -1.446  -0.064  -0.375
+  223GLU    OE1 3139  -1.368  -0.014  -0.287
+  223GLU    OE2 3140  -1.569  -0.050  -0.366
+  223GLU      C 3141  -1.203  -0.341  -0.361
+  223GLU      O 3142  -1.288  -0.428  -0.341
+  224ALA      N 3143  -1.126  -0.293  -0.261
+  224ALA     HN 3144  -1.055  -0.225  -0.279
+  224ALA     CA 3145  -1.139  -0.336  -0.124
+  224ALA     HA 3146  -1.243  -0.359  -0.105
+  224ALA     CB 3147  -1.053  -0.462  -0.096
+  224ALA    HB1 3148  -0.945  -0.441  -0.112
+  224ALA    HB2 3149  -1.084  -0.544  -0.164
+  224ALA    HB3 3150  -1.067  -0.497   0.009
+  224ALA      C 3151  -1.101  -0.224  -0.028
+  224ALA      O 3152  -1.028  -0.130  -0.062
+  225LEU      N 3153  -1.156  -0.231   0.094
+  225LEU     HN 3154  -1.217  -0.308   0.114
+  225LEU     CA 3155  -1.133  -0.140   0.204
+  225LEU     HA 3156  -1.045  -0.080   0.186
+  225LEU     CB 3157  -1.260  -0.051   0.223
+  225LEU    HB1 3158  -1.348  -0.120   0.214
+  225LEU    HB2 3159  -1.265   0.019   0.137
+  225LEU     CG 3160  -1.276   0.027   0.356
+  225LEU     HG 3161  -1.271  -0.046   0.440
+  225LEU    CD1 3162  -1.166   0.131   0.376
+  225LEU   HD11 3163  -1.166   0.206   0.294
+  225LEU   HD12 3164  -1.066   0.081   0.376
+  225LEU   HD13 3165  -1.178   0.183   0.473
+  225LEU    CD2 3166  -1.414   0.094   0.363
+  225LEU   HD21 3167  -1.494   0.016   0.355
+  225LEU   HD22 3168  -1.426   0.166   0.280
+  225LEU   HD23 3169  -1.427   0.146   0.460
+  225LEU      C 3170  -1.107  -0.223   0.328
+  225LEU      O 3171  -1.197  -0.294   0.374
+  226THR      N 3172  -0.985  -0.218   0.384
+  226THR     HN 3173  -0.914  -0.159   0.347
+  226THR     CA 3174  -0.942  -0.317   0.483
+  226THR     HA 3175  -1.028  -0.371   0.521
+  226THR     CB 3176  -0.849  -0.423   0.424
+  226THR     HB 3177  -0.745  -0.385   0.409
+  226THR    OG1 3178  -0.896  -0.469   0.298
+  226THR    HG1 3179  -0.824  -0.523   0.263
+  226THR    CG2 3180  -0.845  -0.544   0.518
+  226THR   HG21 3181  -0.946  -0.585   0.536
+  226THR   HG22 3182  -0.798  -0.517   0.614
+  226THR   HG23 3183  -0.783  -0.625   0.473
+  226THR      C 3184  -0.870  -0.251   0.600
+  226THR      O 3185  -0.763  -0.188   0.579
+  227PRO      N 3186  -0.914  -0.257   0.724
+  227PRO     CD 3187  -1.057  -0.266   0.758
+  227PRO    HD1 3188  -1.097  -0.365   0.729
+  227PRO    HD2 3189  -1.112  -0.185   0.706
+  227PRO     CA 3190  -0.832  -0.221   0.839
+  227PRO     HA 3191  -0.758  -0.146   0.813
+  227PRO     CB 3192  -0.934  -0.171   0.943
+  227PRO    HB1 3193  -0.951  -0.063   0.926
+  227PRO    HB2 3194  -0.900  -0.186   1.047
+  227PRO     CG 3195  -1.063  -0.248   0.910
+  227PRO    HG1 3196  -1.060  -0.348   0.959
+  227PRO    HG2 3197  -1.153  -0.193   0.943
+  227PRO      C 3198  -0.757  -0.343   0.891
+  227PRO      O 3199  -0.813  -0.453   0.895
+  228HSD      N 3200  -0.631  -0.325   0.936
+  228HSD     HN 3201  -0.586  -0.236   0.927
+  228HSD     CA 3202  -0.549  -0.431   0.990
+  228HSD     HA 3203  -0.605  -0.524   0.995
+  228HSD     CB 3204  -0.426  -0.458   0.900
+  228HSD    HB1 3205  -0.357  -0.531   0.948
+  228HSD    HB2 3206  -0.371  -0.364   0.881
+  228HSD    ND1 3207  -0.461  -0.649   0.739
+  228HSD    HD1 3208  -0.425  -0.721   0.798
+  228HSD     CG 3209  -0.468  -0.515   0.769
+  228HSD    CE1 3210  -0.493  -0.661   0.608
+  228HSD    HE1 3211  -0.493  -0.756   0.554
+  228HSD    NE2 3212  -0.520  -0.545   0.554
+  228HSD    CD2 3213  -0.501  -0.452   0.654
+  228HSD    HD2 3214  -0.512  -0.346   0.631
+  228HSD      C 3215  -0.495  -0.394   1.128
+  228HSD      O 3216  -0.414  -0.301   1.139
+  229PRO      N 3217  -0.533  -0.460   1.236
+  229PRO     CD 3218  -0.654  -0.543   1.245
+  229PRO    HD1 3219  -0.647  -0.631   1.177
+  229PRO    HD2 3220  -0.742  -0.481   1.218
+  229PRO     CA 3221  -0.476  -0.433   1.367
+  229PRO     HA 3222  -0.449  -0.329   1.376
+  229PRO     CB 3223  -0.587  -0.476   1.465
+  229PRO    HB1 3224  -0.656  -0.390   1.481
+  229PRO    HB2 3225  -0.549  -0.509   1.564
+  229PRO     CG 3226  -0.662  -0.587   1.391
+  229PRO    HG1 3227  -0.607  -0.683   1.401
+  229PRO    HG2 3228  -0.766  -0.601   1.426
+  229PRO      C 3229  -0.351  -0.515   1.388
+  229PRO      O 3230  -0.333  -0.623   1.331
+  230CYS      N 3231  -0.261  -0.465   1.472
+  230CYS     HN 3232  -0.275  -0.376   1.514
+  230CYS     CA 3233  -0.145  -0.539   1.515
+  230CYS     HA 3234  -0.159  -0.645   1.497
+  230CYS     CB 3235  -0.014  -0.488   1.450
+  230CYS    HB1 3236   0.072  -0.548   1.486
+  230CYS    HB2 3237   0.003  -0.382   1.480
+  230CYS     SG 3238  -0.019  -0.491   1.269
+  230CYS      C 3239  -0.138  -0.518   1.664
+  230CYS      O 3240  -0.186  -0.417   1.717
+  231THR      N 3241  -0.079  -0.613   1.738
+  231THR     HN 3242  -0.042  -0.696   1.695
+  231THR     CA 3243  -0.064  -0.602   1.883
+  231THR     HA 3244  -0.163  -0.586   1.923
+  231THR     CB 3245  -0.010  -0.729   1.947
+  231THR     HB 3246  -0.002  -0.718   2.058
+  231THR    OG1 3247   0.116  -0.766   1.894
+  231THR    HG1 3248   0.181  -0.701   1.922
+  231THR    CG2 3249  -0.108  -0.845   1.917
+  231THR   HG21 3250  -0.112  -0.866   1.808
+  231THR   HG22 3251  -0.210  -0.820   1.952
+  231THR   HG23 3252  -0.074  -0.937   1.969
+  231THR      C 3253   0.019  -0.482   1.925
+  231THR      O 3254  -0.013  -0.408   2.019
+  232THR      N 3255   0.127  -0.456   1.848
+  232THR     HN 3256   0.145  -0.514   1.769
+  232THR     CA 3257   0.213  -0.340   1.861
+  232THR     HA 3258   0.196  -0.292   1.956
+  232THR     CB 3259   0.362  -0.373   1.851
+  232THR     HB 3260   0.384  -0.425   1.755
+  232THR    OG1 3261   0.400  -0.457   1.959
+  232THR    HG1 3262   0.486  -0.498   1.930
+  232THR    CG2 3263   0.447  -0.245   1.863
+  232THR   HG21 3264   0.424  -0.191   1.957
+  232THR   HG22 3265   0.431  -0.178   1.776
+  232THR   HG23 3266   0.554  -0.273   1.865
+  232THR      C 3267   0.173  -0.246   1.750
+  232THR      O 3268   0.177  -0.280   1.632
+  233VAL      N 3269   0.123  -0.126   1.786
+  233VAL     HN 3270   0.121  -0.101   1.882
+  233VAL     CA 3271   0.065  -0.031   1.692
+  233VAL     HA 3272  -0.013  -0.082   1.638
+  233VAL     CB 3273   0.001   0.086   1.768
+  233VAL     HB 3274   0.076   0.131   1.837
+  233VAL    CG1 3275  -0.050   0.197   1.673
+  233VAL   HG11 3276  -0.116   0.152   1.595
+  233VAL   HG12 3277   0.033   0.249   1.621
+  233VAL   HG13 3278  -0.109   0.273   1.729
+  233VAL    CG2 3279  -0.118   0.031   1.850
+  233VAL   HG21 3280  -0.087  -0.048   1.920
+  233VAL   HG22 3281  -0.194  -0.013   1.781
+  233VAL   HG23 3282  -0.167   0.113   1.907
+  233VAL      C 3283   0.162   0.021   1.587
+  233VAL      O 3284   0.129   0.026   1.468
+  234GLY      N 3285   0.284   0.059   1.628
+  234GLY     HN 3286   0.313   0.038   1.722
+  234GLY     CA 3287   0.383   0.121   1.542
+  234GLY    HA1 3288   0.437   0.190   1.602
+  234GLY    HA2 3289   0.335   0.168   1.457
+  234GLY      C 3290   0.484   0.025   1.490
+  234GLY      O 3291   0.473  -0.095   1.507
+  235GLN      N 3292   0.590   0.080   1.427
+  235GLN     HN 3293   0.593   0.178   1.410
+  235GLN     CA 3294   0.698   0.004   1.369
+  235GLN     HA 3295   0.655  -0.063   1.297
+  235GLN     CB 3296   0.792   0.101   1.292
+  235GLN    HB1 3297   0.843   0.171   1.362
+  235GLN    HB2 3298   0.725   0.163   1.227
+  235GLN     CG 3299   0.896   0.035   1.197
+  235GLN    HG1 3300   0.931   0.112   1.125
+  235GLN    HG2 3301   0.844  -0.044   1.139
+  235GLN     CD 3302   1.020  -0.023   1.267
+  235GLN    OE1 3303   1.085   0.038   1.352
+  235GLN    NE2 3304   1.058  -0.145   1.224
+  235GLN   HE21 3305   1.144  -0.183   1.263
+  235GLN   HE22 3306   1.008  -0.192   1.153
+  235GLN      C 3307   0.774  -0.081   1.471
+  235GLN      O 3308   0.817  -0.036   1.576
+  236GLU      N 3309   0.788  -0.212   1.438
+  236GLU     HN 3310   0.746  -0.246   1.354
+  236GLU     CA 3311   0.844  -0.312   1.525
+  236GLU     HA 3312   0.916  -0.266   1.590
+  236GLU     CB 3313   0.731  -0.381   1.608
+  236GLU    HB1 3314   0.655  -0.421   1.536
+  236GLU    HB2 3315   0.680  -0.301   1.667
+  236GLU     CG 3316   0.775  -0.495   1.702
+  236GLU    HG1 3317   0.849  -0.458   1.776
+  236GLU    HG2 3318   0.820  -0.578   1.645
+  236GLU     CD 3319   0.659  -0.555   1.782
+  236GLU    OE1 3320   0.566  -0.614   1.720
+  236GLU    OE2 3321   0.661  -0.544   1.907
+  236GLU      C 3322   0.917  -0.412   1.438
+  236GLU      O 3323   0.873  -0.446   1.327
+  237ILE      N 3324   1.034  -0.461   1.482
+  237ILE     HN 3325   1.068  -0.439   1.573
+  237ILE     CA 3326   1.107  -0.565   1.412
+  237ILE     HA 3327   1.083  -0.560   1.306
+  237ILE     CB 3328   1.258  -0.550   1.426
+  237ILE     HB 3329   1.280  -0.444   1.400
+  237ILE    CG2 3330   1.303  -0.578   1.571
+  237ILE   HG21 3331   1.293  -0.687   1.594
+  237ILE   HG22 3332   1.242  -0.522   1.645
+  237ILE   HG23 3333   1.410  -0.551   1.585
+  237ILE    CG1 3334   1.337  -0.636   1.323
+  237ILE   HG11 3335   1.289  -0.623   1.223
+  237ILE   HG12 3336   1.329  -0.744   1.350
+  237ILE     CD 3337   1.485  -0.597   1.312
+  237ILE    HD1 3338   1.538  -0.619   1.407
+  237ILE    HD2 3339   1.496  -0.489   1.288
+  237ILE    HD3 3340   1.533  -0.656   1.232
+  237ILE      C 3341   1.061  -0.701   1.461
+  237ILE      O 3342   1.021  -0.718   1.577
+  238CYS      N 3343   1.064  -0.801   1.373
+  238CYS     HN 3344   1.101  -0.788   1.282
+  238CYS     CA 3345   1.015  -0.934   1.403
+  238CYS     HA 3346   1.022  -0.953   1.508
+  238CYS     CB 3347   0.868  -0.954   1.359
+  238CYS    HB1 3348   0.803  -0.908   1.437
+  238CYS    HB2 3349   0.842  -1.062   1.355
+  238CYS     SG 3350   0.832  -0.873   1.200
+  238CYS    HG1 3351   0.845  -0.749   1.247
+  238CYS      C 3352   1.107  -1.033   1.336
+  238CYS      O 3353   1.184  -0.999   1.248
+  239GLU      N 3354   1.101  -1.161   1.383
+  239GLU     HN 3355   1.032  -1.189   1.449
+  239GLU     CA 3356   1.204  -1.258   1.354
+  239GLU     HA 3357   1.285  -1.212   1.299
+  239GLU     CB 3358   1.260  -1.318   1.486
+  239GLU    HB1 3359   1.340  -1.389   1.458
+  239GLU    HB2 3360   1.179  -1.374   1.539
+  239GLU     CG 3361   1.320  -1.216   1.585
+  239GLU    HG1 3362   1.364  -1.270   1.672
+  239GLU    HG2 3363   1.242  -1.146   1.623
+  239GLU     CD 3364   1.433  -1.134   1.523
+  239GLU    OE1 3365   1.531  -1.199   1.481
+  239GLU    OE2 3366   1.424  -1.008   1.527
+  239GLU      C 3367   1.152  -1.373   1.271
+  239GLU      O 3368   1.051  -1.438   1.306
+  240GLY      N 3369   1.222  -1.409   1.162
+  240GLY     HN 3370   1.297  -1.349   1.131
+  240GLY     CA 3371   1.198  -1.528   1.079
+  240GLY    HA1 3372   1.228  -1.613   1.138
+  240GLY    HA2 3373   1.258  -1.515   0.990
+  240GLY      C 3374   1.056  -1.550   1.035
+  240GLY      O 3375   0.987  -1.459   0.992
+  241ASP      N 3376   1.004  -1.673   1.048
+  241ASP     HN 3377   1.061  -1.751   1.072
+  241ASP     CA 3378   0.868  -1.706   1.009
+  241ASP     HA 3379   0.837  -1.640   0.929
+  241ASP     CB 3380   0.860  -1.852   0.960
+  241ASP    HB1 3381   0.757  -1.877   0.929
+  241ASP    HB2 3382   0.890  -1.923   1.041
+  241ASP     CG 3383   0.955  -1.874   0.842
+  241ASP    OD1 3384   0.908  -1.861   0.722
+  241ASP    OD2 3385   1.074  -1.891   0.863
+  241ASP      C 3386   0.772  -1.679   1.126
+  241ASP      O 3387   0.653  -1.714   1.124
+  242GLY      N 3388   0.821  -1.610   1.231
+  242GLY     HN 3389   0.918  -1.583   1.230
+  242GLY     CA 3390   0.743  -1.551   1.338
+  242GLY    HA1 3391   0.808  -1.536   1.422
+  242GLY    HA2 3392   0.658  -1.615   1.360
+  242GLY      C 3393   0.691  -1.416   1.300
+  242GLY      O 3394   0.605  -1.361   1.370
+  243CYS      N 3395   0.743  -1.357   1.190
+  243CYS     HN 3396   0.818  -1.402   1.142
+  243CYS     CA 3397   0.693  -1.236   1.127
+  243CYS     HA 3398   0.693  -1.157   1.201
+  243CYS     CB 3399   0.779  -1.194   1.005
+  243CYS    HB1 3400   0.736  -1.102   0.959
+  243CYS    HB2 3401   0.774  -1.274   0.928
+  243CYS     SG 3402   0.953  -1.162   1.048
+  243CYS    HG1 3403   0.986  -1.288   1.071
+  243CYS      C 3404   0.550  -1.250   1.079
+  243CYS      O 3405   0.468  -1.161   1.097
+  244GLY      N 3406   0.518  -1.366   1.019
+  244GLY     HN 3407   0.588  -1.437   1.009
+  244GLY     CA 3408   0.391  -1.391   0.952
+  244GLY    HA1 3409   0.311  -1.356   1.015
+  244GLY    HA2 3410   0.387  -1.497   0.932
+  244GLY      C 3411   0.379  -1.324   0.819
+  244GLY      O 3412   0.478  -1.294   0.752
+  245GLY      N 3413   0.253  -1.307   0.775
+  245GLY     HN 3414   0.178  -1.341   0.832
+  245GLY     CA 3415   0.215  -1.250   0.647
+  245GLY    HA1 3416   0.258  -1.151   0.642
+  245GLY    HA2 3417   0.107  -1.249   0.642
+  245GLY      C 3418   0.264  -1.326   0.527
+  245GLY      O 3419   0.295  -1.446   0.531
+  246THR      N 3420   0.267  -1.257   0.414
+  246THR     HN 3421   0.235  -1.161   0.418
+  246THR     CA 3422   0.297  -1.309   0.280
+  246THR     HA 3423   0.224  -1.385   0.258
+  246THR     CB 3424   0.283  -1.199   0.177
+  246THR     HB 3425   0.348  -1.112   0.203
+  246THR    OG1 3426   0.147  -1.158   0.175
+  246THR    HG1 3427   0.131  -1.100   0.251
+  246THR    CG2 3428   0.318  -1.246   0.035
+  246THR   HG21 3429   0.257  -1.334   0.007
+  246THR   HG22 3430   0.426  -1.271   0.024
+  246THR   HG23 3431   0.297  -1.164  -0.038
+  246THR      C 3432   0.431  -1.376   0.268
+  246THR      O 3433   0.447  -1.479   0.201
+  247TYR      N 3434   0.533  -1.321   0.336
+  247TYR     HN 3435   0.515  -1.242   0.394
+  247TYR     CA 3436   0.671  -1.360   0.322
+  247TYR     HA 3437   0.687  -1.403   0.223
+  247TYR     CB 3438   0.763  -1.237   0.339
+  247TYR    HB1 3439   0.870  -1.265   0.324
+  247TYR    HB2 3440   0.752  -1.193   0.441
+  247TYR     CG 3441   0.729  -1.131   0.237
+  247TYR    CD1 3442   0.780  -1.142   0.107
+  247TYR    HD1 3443   0.841  -1.227   0.080
+  247TYR    CE1 3444   0.753  -1.044   0.010
+  247TYR    HE1 3445   0.794  -1.053  -0.089
+  247TYR     CZ 3446   0.673  -0.935   0.043
+  247TYR     OH 3447   0.654  -0.837  -0.056
+  247TYR     HH 3448   0.743  -0.802  -0.078
+  247TYR    CD2 3449   0.648  -1.020   0.269
+  247TYR    HD2 3450   0.608  -1.010   0.369
+  247TYR    CE2 3451   0.619  -0.923   0.172
+  247TYR    HE2 3452   0.557  -0.837   0.196
+  247TYR      C 3453   0.714  -1.467   0.422
+  247TYR      O 3454   0.831  -1.492   0.440
+  248SER      N 3455   0.617  -1.533   0.490
+  248SER     HN 3456   0.520  -1.511   0.477
+  248SER     CA 3457   0.647  -1.641   0.584
+  248SER     HA 3458   0.750  -1.672   0.572
+  248SER     CB 3459   0.624  -1.600   0.732
+  248SER    HB1 3460   0.653  -1.683   0.800
+  248SER    HB2 3461   0.516  -1.577   0.748
+  248SER     OG 3462   0.702  -1.484   0.763
+  248SER    HG1 3463   0.648  -1.408   0.732
+  248SER      C 3464   0.564  -1.763   0.556
+  248SER      O 3465   0.455  -1.755   0.495
+  249ASP      N 3466   0.610  -1.883   0.595
+  249ASP     HN 3467   0.699  -1.891   0.643
+  249ASP     CA 3468   0.539  -2.009   0.572
+  249ASP     HA 3469   0.515  -2.009   0.467
+  249ASP     CB 3470   0.630  -2.134   0.597
+  249ASP    HB1 3471   0.729  -2.115   0.550
+  249ASP    HB2 3472   0.584  -2.220   0.545
+  249ASP     CG 3473   0.654  -2.178   0.742
+  249ASP    OD1 3474   0.650  -2.094   0.833
+  249ASP    OD2 3475   0.689  -2.299   0.757
+  249ASP      C 3476   0.406  -2.017   0.646
+  249ASP      O 3477   0.304  -2.067   0.593
+  250ASN      N 3478   0.402  -1.966   0.768
+  250ASN     HN 3479   0.490  -1.937   0.807
+  250ASN     CA 3480   0.285  -1.954   0.851
+  250ASN     HA 3481   0.206  -2.014   0.810
+  250ASN     CB 3482   0.317  -2.002   0.995
+  250ASN    HB1 3483   0.403  -1.944   1.034
+  250ASN    HB2 3484   0.347  -2.109   0.991
+  250ASN     CG 3485   0.197  -1.987   1.087
+  250ASN    OD1 3486   0.084  -1.968   1.044
+  250ASN    ND2 3487   0.222  -1.992   1.220
+  250ASN   HD21 3488   0.143  -1.975   1.280
+  250ASN   HD22 3489   0.316  -1.996   1.251
+  250ASN      C 3490   0.241  -1.809   0.848
+  250ASN      O 3491   0.299  -1.722   0.909
+  251ARG      N 3492   0.131  -1.783   0.773
+  251ARG     HN 3493   0.084  -1.858   0.729
+  251ARG     CA 3494   0.078  -1.650   0.749
+  251ARG     HA 3495   0.159  -1.590   0.710
+  251ARG     CB 3496  -0.032  -1.659   0.641
+  251ARG    HB1 3497  -0.112  -1.729   0.675
+  251ARG    HB2 3498   0.017  -1.703   0.550
+  251ARG     CG 3499  -0.096  -1.525   0.601
+  251ARG    HG1 3500  -0.015  -1.451   0.583
+  251ARG    HG2 3501  -0.157  -1.487   0.687
+  251ARG     CD 3502  -0.187  -1.532   0.477
+  251ARG    HD1 3503  -0.275  -1.597   0.498
+  251ARG    HD2 3504  -0.131  -1.576   0.391
+  251ARG     NE 3505  -0.234  -1.395   0.445
+  251ARG     HE 3506  -0.325  -1.361   0.482
+  251ARG     CZ 3507  -0.176  -1.308   0.363
+  251ARG    NH1 3508  -0.065  -1.340   0.295
+  251ARG   HH11 3509  -0.025  -1.427   0.308
+  251ARG   HH12 3510  -0.025  -1.268   0.237
+  251ARG    NH2 3511  -0.227  -1.191   0.347
+  251ARG   HH21 3512  -0.308  -1.165   0.402
+  251ARG   HH22 3513  -0.184  -1.122   0.288
+  251ARG      C 3514   0.030  -1.579   0.875
+  251ARG      O 3515   0.052  -1.461   0.895
+  252TYR      N 3516  -0.033  -1.654   0.967
+  252TYR     HN 3517  -0.043  -1.752   0.955
+  252TYR     CA 3518  -0.103  -1.597   1.082
+  252TYR     HA 3519  -0.120  -1.491   1.066
+  252TYR     CB 3520  -0.240  -1.667   1.101
+  252TYR    HB1 3521  -0.301  -1.615   1.178
+  252TYR    HB2 3522  -0.227  -1.773   1.132
+  252TYR     CG 3523  -0.316  -1.664   0.971
+  252TYR    CD1 3524  -0.380  -1.546   0.931
+  252TYR    HD1 3525  -0.377  -1.458   0.993
+  252TYR    CE1 3526  -0.451  -1.542   0.810
+  252TYR    HE1 3527  -0.502  -1.450   0.782
+  252TYR     CZ 3528  -0.459  -1.655   0.729
+  252TYR     OH 3529  -0.534  -1.650   0.609
+  252TYR     HH 3530  -0.569  -1.558   0.599
+  252TYR    CD2 3531  -0.323  -1.777   0.888
+  252TYR    HD2 3532  -0.273  -1.868   0.918
+  252TYR    CE2 3533  -0.393  -1.773   0.767
+  252TYR    HE2 3534  -0.399  -1.860   0.703
+  252TYR      C 3535  -0.019  -1.611   1.207
+  252TYR      O 3536  -0.068  -1.602   1.321
+  253GLY      N 3537   0.112  -1.635   1.190
+  253GLY     HN 3538   0.146  -1.643   1.096
+  253GLY     CA 3539   0.207  -1.653   1.299
+  253GLY    HA1 3540   0.299  -1.691   1.255
+  253GLY    HA2 3541   0.165  -1.720   1.372
+  253GLY      C 3542   0.244  -1.525   1.370
+  253GLY      O 3543   0.283  -1.528   1.487
+  254GLY      N 3544   0.235  -1.411   1.299
+  254GLY     HN 3545   0.195  -1.413   1.207
+  254GLY     CA 3546   0.284  -1.282   1.344
+  254GLY    HA1 3547   0.292  -1.220   1.256
+  254GLY    HA2 3548   0.379  -1.298   1.392
+  254GLY      C 3549   0.201  -1.207   1.443
+  254GLY      O 3550   0.094  -1.248   1.489
+  255THR      N 3551   0.253  -1.088   1.480
+  255THR     HN 3552   0.341  -1.057   1.444
+  255THR     CA 3553   0.192  -0.992   1.571
+  255THR     HA 3554   0.141  -1.046   1.649
+  255THR     CB 3555   0.293  -0.897   1.635
+  255THR     HB 3556   0.250  -0.797   1.660
+  255THR    OG1 3557   0.408  -0.879   1.553
+  255THR    HG1 3558   0.453  -0.799   1.586
+  255THR    CG2 3559   0.343  -0.960   1.766
+  255THR   HG21 3560   0.385  -1.061   1.747
+  255THR   HG22 3561   0.259  -0.970   1.838
+  255THR   HG23 3562   0.421  -0.896   1.812
+  255THR      C 3563   0.086  -0.909   1.501
+  255THR      O 3564  -0.003  -0.853   1.566
+  256CYS      N 3565   0.093  -0.901   1.368
+  256CYS     HN 3566   0.167  -0.947   1.319
+  256CYS     CA 3567  -0.007  -0.836   1.285
+  256CYS     HA 3568  -0.063  -0.766   1.344
+  256CYS     CB 3569   0.057  -0.761   1.166
+  256CYS    HB1 3570  -0.019  -0.735   1.089
+  256CYS    HB2 3571   0.131  -0.828   1.116
+  256CYS     SG 3572   0.138  -0.607   1.215
+  256CYS      C 3573  -0.107  -0.935   1.231
+  256CYS      O 3574  -0.082  -1.055   1.223
+  257ASP      N 3575  -0.225  -0.884   1.195
+  257ASP     HN 3576  -0.247  -0.787   1.207
+  257ASP     CA 3577  -0.326  -0.955   1.120
+  257ASP     HA 3578  -0.320  -1.061   1.140
+  257ASP     CB 3579  -0.463  -0.904   1.168
+  257ASP    HB1 3580  -0.461  -0.792   1.168
+  257ASP    HB2 3581  -0.485  -0.938   1.271
+  257ASP     CG 3582  -0.579  -0.944   1.079
+  257ASP    OD1 3583  -0.570  -1.052   1.011
+  257ASP    OD2 3584  -0.680  -0.874   1.084
+  257ASP      C 3585  -0.302  -0.924   0.972
+  257ASP      O 3586  -0.303  -0.807   0.938
+  258PRO      N 3587  -0.281  -1.020   0.882
+  258PRO     CD 3588  -0.249  -1.158   0.917
+  258PRO    HD1 3589  -0.340  -1.210   0.955
+  258PRO    HD2 3590  -0.168  -1.160   0.994
+  258PRO     CA 3591  -0.239  -0.986   0.747
+  258PRO     HA 3592  -0.195  -0.887   0.741
+  258PRO     CB 3593  -0.140  -1.099   0.714
+  258PRO    HB1 3594  -0.041  -1.072   0.754
+  258PRO    HB2 3595  -0.130  -1.117   0.604
+  258PRO     CG 3596  -0.197  -1.220   0.788
+  258PRO    HG1 3597  -0.283  -1.263   0.730
+  258PRO    HG2 3598  -0.122  -1.299   0.805
+  258PRO      C 3599  -0.356  -0.991   0.652
+  258PRO      O 3600  -0.336  -0.962   0.534
+  259ASP      N 3601  -0.477  -1.031   0.697
+  259ASP     HN 3602  -0.491  -1.055   0.793
+  259ASP     CA 3603  -0.591  -1.044   0.609
+  259ASP     HA 3604  -0.561  -1.037   0.505
+  259ASP     CB 3605  -0.664  -1.180   0.631
+  259ASP    HB1 3606  -0.763  -1.177   0.580
+  259ASP    HB2 3607  -0.682  -1.195   0.739
+  259ASP     CG 3608  -0.587  -1.300   0.576
+  259ASP    OD1 3609  -0.470  -1.288   0.530
+  259ASP    OD2 3610  -0.643  -1.414   0.581
+  259ASP      C 3611  -0.685  -0.926   0.631
+  259ASP      O 3612  -0.737  -0.869   0.535
+  260GLY      N 3613  -0.702  -0.881   0.758
+  260GLY     HN 3614  -0.658  -0.927   0.835
+  260GLY     CA 3615  -0.794  -0.775   0.795
+  260GLY    HA1 3616  -0.771  -0.688   0.737
+  260GLY    HA2 3617  -0.782  -0.757   0.900
+  260GLY      C 3618  -0.940  -0.807   0.775
+  260GLY      O 3619  -0.980  -0.919   0.743
+  261CYS      N 3620  -1.026  -0.707   0.798
+  261CYS     HN 3621  -0.990  -0.618   0.823
+  261CYS     CA 3622  -1.171  -0.719   0.783
+  261CYS     HA 3623  -1.201  -0.823   0.775
+  261CYS     CB 3624  -1.240  -0.654   0.907
+  261CYS    HB1 3625  -1.199  -0.552   0.920
+  261CYS    HB2 3626  -1.209  -0.714   0.995
+  261CYS     SG 3627  -1.421  -0.645   0.903
+  261CYS      C 3628  -1.208  -0.651   0.653
+  261CYS      O 3629  -1.255  -0.538   0.652
+  262ASP      N 3630  -1.177  -0.717   0.539
+  262ASP     HN 3631  -1.147  -0.812   0.538
+  262ASP     CA 3632  -1.191  -0.658   0.408
+  262ASP     HA 3633  -1.153  -0.557   0.417
+  262ASP     CB 3634  -1.102  -0.725   0.298
+  262ASP    HB1 3635  -0.998  -0.725   0.337
+  262ASP    HB2 3636  -1.103  -0.662   0.206
+  262ASP     CG 3637  -1.134  -0.869   0.260
+  262ASP    OD1 3638  -1.126  -0.957   0.347
+  262ASP    OD2 3639  -1.159  -0.897   0.139
+  262ASP      C 3640  -1.335  -0.640   0.364
+  262ASP      O 3641  -1.421  -0.730   0.367
+  263TRP      N 3642  -1.371  -0.520   0.319
+  263TRP     HN 3643  -1.305  -0.444   0.324
+  263TRP     CA 3644  -1.499  -0.496   0.258
+  263TRP     HA 3645  -1.566  -0.580   0.274
+  263TRP     CB 3646  -1.566  -0.368   0.314
+  263TRP    HB1 3647  -1.505  -0.279   0.287
+  263TRP    HB2 3648  -1.561  -0.379   0.425
+  263TRP     CG 3649  -1.709  -0.347   0.275
+  263TRP    CD1 3650  -1.761  -0.331   0.149
+  263TRP    HD1 3651  -1.700  -0.327   0.059
+  263TRP    NE1 3652  -1.898  -0.321   0.155
+  263TRP    HE1 3653  -1.960  -0.314   0.080
+  263TRP    CE2 3654  -1.938  -0.330   0.285
+  263TRP    CD2 3655  -1.822  -0.344   0.365
+  263TRP    CE3 3656  -1.834  -0.352   0.503
+  263TRP    HE3 3657  -1.747  -0.365   0.566
+  263TRP    CZ3 3658  -1.962  -0.348   0.559
+  263TRP    HZ3 3659  -1.973  -0.358   0.667
+  263TRP    CZ2 3660  -2.065  -0.328   0.341
+  263TRP    HZ2 3661  -2.153  -0.322   0.279
+  263TRP    CH2 3662  -2.076  -0.338   0.479
+  263TRP    HH2 3663  -2.173  -0.341   0.526
+  263TRP      C 3664  -1.475  -0.484   0.109
+  263TRP      O 3665  -1.422  -0.384   0.061
+  264ASN      N 3666  -1.517  -0.586   0.033
+  264ASN     HN 3667  -1.555  -0.667   0.076
+  264ASN     CA 3668  -1.509  -0.586  -0.112
+  264ASN     HA 3669  -1.471  -0.492  -0.148
+  264ASN     CB 3670  -1.408  -0.696  -0.159
+  264ASN    HB1 3671  -1.432  -0.791  -0.108
+  264ASN    HB2 3672  -1.307  -0.664  -0.125
+  264ASN     CG 3673  -1.406  -0.723  -0.310
+  264ASN    OD1 3674  -1.499  -0.701  -0.385
+  264ASN    ND2 3675  -1.290  -0.779  -0.356
+  264ASN   HD21 3676  -1.282  -0.796  -0.454
+  264ASN   HD22 3677  -1.214  -0.794  -0.294
+  264ASN      C 3678  -1.653  -0.608  -0.159
+  264ASN      O 3679  -1.711  -0.711  -0.127
+  265PRO      N 3680  -1.718  -0.517  -0.234
+  265PRO     CD 3681  -1.673  -0.378  -0.247
+  265PRO    HD1 3682  -1.603  -0.371  -0.333
+  265PRO    HD2 3683  -1.621  -0.340  -0.156
+  265PRO     CA 3684  -1.861  -0.530  -0.261
+  265PRO     HA 3685  -1.912  -0.543  -0.167
+  265PRO     CB 3686  -1.896  -0.399  -0.333
+  265PRO    HB1 3687  -2.003  -0.372  -0.320
+  265PRO    HB2 3688  -1.873  -0.407  -0.442
+  265PRO     CG 3689  -1.801  -0.296  -0.272
+  265PRO    HG1 3690  -1.781  -0.210  -0.339
+  265PRO    HG2 3691  -1.840  -0.259  -0.175
+  265PRO      C 3692  -1.895  -0.650  -0.349
+  265PRO      O 3693  -2.003  -0.706  -0.332
+  266TYR      N 3694  -1.806  -0.689  -0.442
+  266TYR     HN 3695  -1.719  -0.638  -0.452
+  266TYR     CA 3696  -1.822  -0.808  -0.525
+  266TYR     HA 3697  -1.917  -0.799  -0.576
+  266TYR     CB 3698  -1.707  -0.818  -0.629
+  266TYR    HB1 3699  -1.612  -0.854  -0.582
+  266TYR    HB2 3700  -1.686  -0.717  -0.668
+  266TYR     CG 3701  -1.742  -0.909  -0.745
+  266TYR    CD1 3702  -1.738  -1.050  -0.734
+  266TYR    HD1 3703  -1.712  -1.095  -0.640
+  266TYR    CE1 3704  -1.766  -1.131  -0.845
+  266TYR    HE1 3705  -1.765  -1.238  -0.835
+  266TYR     CZ 3706  -1.795  -1.073  -0.969
+  266TYR     OH 3707  -1.820  -1.155  -1.081
+  266TYR     HH 3708  -1.823  -1.245  -1.048
+  266TYR    CD2 3709  -1.773  -0.853  -0.870
+  266TYR    HD2 3710  -1.776  -0.746  -0.880
+  266TYR    CE2 3711  -1.799  -0.934  -0.982
+  266TYR    HE2 3712  -1.822  -0.889  -1.077
+  266TYR      C 3713  -1.826  -0.933  -0.439
+  266TYR      O 3714  -1.910  -1.021  -0.456
+  267ARG      N 3715  -1.735  -0.940  -0.339
+  267ARG     HN 3716  -1.675  -0.861  -0.324
+  267ARG     CA 3717  -1.716  -1.053  -0.250
+  267ARG     HA 3718  -1.708  -1.142  -0.309
+  267ARG     CB 3719  -1.586  -1.030  -0.168
+  267ARG    HB1 3720  -1.601  -0.945  -0.097
+  267ARG    HB2 3721  -1.506  -1.000  -0.239
+  267ARG     CG 3722  -1.536  -1.153  -0.089
+  267ARG    HG1 3723  -1.519  -1.235  -0.161
+  267ARG    HG2 3724  -1.615  -1.185  -0.018
+  267ARG     CD 3725  -1.407  -1.126  -0.007
+  267ARG    HD1 3726  -1.427  -1.050   0.072
+  267ARG    HD2 3727  -1.325  -1.089  -0.073
+  267ARG     NE 3728  -1.367  -1.258   0.051
+  267ARG     HE 3729  -1.383  -1.342   0.002
+  267ARG     CZ 3730  -1.310  -1.269   0.173
+  267ARG    NH1 3731  -1.277  -1.171   0.248
+  267ARG   HH11 3732  -1.240  -1.178   0.343
+  267ARG   HH12 3733  -1.274  -1.073   0.222
+  267ARG    NH2 3734  -1.290  -1.393   0.216
+  267ARG   HH21 3735  -1.321  -1.469   0.164
+  267ARG   HH22 3736  -1.247  -1.400   0.307
+  267ARG      C 3737  -1.836  -1.071  -0.156
+  267ARG      O 3738  -1.869  -1.181  -0.113
+  268LEU      N 3739  -1.909  -0.961  -0.132
+  268LEU     HN 3740  -1.878  -0.873  -0.167
+  268LEU     CA 3741  -2.027  -0.958  -0.048
+  268LEU     HA 3742  -2.025  -1.041   0.021
+  268LEU     CB 3743  -2.028  -0.826   0.033
+  268LEU    HB1 3744  -2.122  -0.816   0.090
+  268LEU    HB2 3745  -2.022  -0.740  -0.038
+  268LEU     CG 3746  -1.910  -0.816   0.132
+  268LEU     HG 3747  -1.815  -0.837   0.079
+  268LEU    CD1 3748  -1.897  -0.674   0.189
+  268LEU   HD11 3749  -1.983  -0.647   0.253
+  268LEU   HD12 3750  -1.889  -0.600   0.106
+  268LEU   HD13 3751  -1.805  -0.665   0.250
+  268LEU    CD2 3752  -1.924  -0.919   0.246
+  268LEU   HD21 3753  -1.924  -1.022   0.207
+  268LEU   HD22 3754  -2.017  -0.902   0.303
+  268LEU   HD23 3755  -1.838  -0.910   0.316
+  268LEU      C 3756  -2.155  -0.974  -0.129
+  268LEU      O 3757  -2.266  -0.977  -0.078
+  269GLY      N 3758  -2.141  -0.995  -0.262
+  269GLY     HN 3759  -2.049  -0.986  -0.303
+  269GLY     CA 3760  -2.247  -1.045  -0.348
+  269GLY    HA1 3761  -2.328  -1.084  -0.288
+  269GLY    HA2 3762  -2.203  -1.122  -0.411
+  269GLY      C 3763  -2.308  -0.944  -0.440
+  269GLY      O 3764  -2.398  -0.975  -0.516
+  270ASN      N 3765  -2.261  -0.817  -0.437
+  270ASN     HN 3766  -2.186  -0.792  -0.376
+  270ASN     CA 3767  -2.308  -0.717  -0.530
+  270ASN     HA 3768  -2.403  -0.749  -0.572
+  270ASN     CB 3769  -2.332  -0.580  -0.461
+  270ASN    HB1 3770  -2.234  -0.535  -0.432
+  270ASN    HB2 3771  -2.391  -0.598  -0.368
+  270ASN     CG 3772  -2.409  -0.484  -0.551
+  270ASN    OD1 3773  -2.439  -0.510  -0.667
+  270ASN    ND2 3774  -2.449  -0.368  -0.492
+  270ASN   HD21 3775  -2.493  -0.300  -0.553
+  270ASN   HD22 3776  -2.421  -0.349  -0.400
+  270ASN      C 3777  -2.210  -0.706  -0.646
+  270ASN      O 3778  -2.110  -0.635  -0.642
+  271THR      N 3779  -2.240  -0.775  -0.757
+  271THR     HN 3780  -2.321  -0.832  -0.762
+  271THR     CA 3781  -2.145  -0.793  -0.867
+  271THR     HA 3782  -2.044  -0.781  -0.831
+  271THR     CB 3783  -2.160  -0.931  -0.929
+  271THR     HB 3784  -2.089  -0.945  -1.014
+  271THR    OG1 3785  -2.294  -0.955  -0.971
+  271THR    HG1 3786  -2.312  -0.892  -1.041
+  271THR    CG2 3787  -2.127  -1.036  -0.822
+  271THR   HG21 3788  -2.202  -1.037  -0.741
+  271THR   HG22 3789  -2.027  -1.017  -0.777
+  271THR   HG23 3790  -2.126  -1.136  -0.870
+  271THR      C 3791  -2.169  -0.691  -0.975
+  271THR      O 3792  -2.109  -0.696  -1.084
+  272SER      N 3793  -2.262  -0.597  -0.952
+  272SER     HN 3794  -2.312  -0.600  -0.866
+  272SER     CA 3795  -2.297  -0.494  -1.048
+  272SER     HA 3796  -2.242  -0.506  -1.140
+  272SER     CB 3797  -2.449  -0.496  -1.082
+  272SER    HB1 3798  -2.475  -0.414  -1.151
+  272SER    HB2 3799  -2.508  -0.482  -0.988
+  272SER     OG 3800  -2.485  -0.621  -1.142
+  272SER    HG1 3801  -2.434  -0.627  -1.224
+  272SER      C 3802  -2.262  -0.357  -0.995
+  272SER      O 3803  -2.286  -0.256  -1.061
+  273PHE      N 3804  -2.204  -0.347  -0.873
+  273PHE     HN 3805  -2.183  -0.429  -0.820
+  273PHE     CA 3806  -2.165  -0.219  -0.817
+  273PHE     HA 3807  -2.250  -0.153  -0.830
+  273PHE     CB 3808  -2.136  -0.231  -0.665
+  273PHE    HB1 3809  -2.051  -0.301  -0.646
+  273PHE    HB2 3810  -2.225  -0.271  -0.613
+  273PHE     CG 3811  -2.104  -0.097  -0.604
+  273PHE    CD1 3812  -2.200   0.006  -0.609
+  273PHE    HD1 3813  -2.296  -0.013  -0.655
+  273PHE    CE1 3814  -2.172   0.132  -0.555
+  273PHE    HE1 3815  -2.246   0.211  -0.560
+  273PHE     CZ 3816  -2.049   0.156  -0.494
+  273PHE     HZ 3817  -2.027   0.253  -0.453
+  273PHE    CD2 3818  -1.980  -0.071  -0.543
+  273PHE    HD2 3819  -1.905  -0.149  -0.539
+  273PHE    CE2 3820  -1.952   0.054  -0.488
+  273PHE    HE2 3821  -1.856   0.072  -0.442
+  273PHE      C 3822  -2.049  -0.152  -0.890
+  273PHE      O 3823  -2.050  -0.032  -0.918
+  274TYR      N 3824  -1.945  -0.229  -0.924
+  274TYR     HN 3825  -1.947  -0.328  -0.913
+  274TYR     CA 3826  -1.818  -0.172  -0.962
+  274TYR     HA 3827  -1.831  -0.073  -1.003
+  274TYR     CB 3828  -1.726  -0.168  -0.837
+  274TYR    HB1 3829  -1.714  -0.270  -0.795
+  274TYR    HB2 3830  -1.776  -0.107  -0.758
+  274TYR     CG 3831  -1.589  -0.111  -0.860
+  274TYR    CD1 3832  -1.566   0.026  -0.839
+  274TYR    HD1 3833  -1.648   0.090  -0.811
+  274TYR    CE1 3834  -1.436   0.079  -0.846
+  274TYR    HE1 3835  -1.419   0.184  -0.827
+  274TYR     CZ 3836  -1.328  -0.005  -0.875
+  274TYR     OH 3837  -1.198   0.046  -0.882
+  274TYR     HH 3838  -1.139  -0.028  -0.900
+  274TYR    CD2 3839  -1.479  -0.194  -0.891
+  274TYR    HD2 3840  -1.494  -0.300  -0.905
+  274TYR    CE2 3841  -1.350  -0.141  -0.899
+  274TYR    HE2 3842  -1.266  -0.206  -0.921
+  274TYR      C 3843  -1.761  -0.259  -1.071
+  274TYR      O 3844  -1.764  -0.382  -1.061
+  275GLY      N 3845  -1.711  -0.197  -1.179
+  275GLY     HN 3846  -1.716  -0.098  -1.189
+  275GLY     CA 3847  -1.655  -0.271  -1.291
+  275GLY    HA1 3848  -1.710  -0.362  -1.306
+  275GLY    HA2 3849  -1.550  -0.285  -1.268
+  275GLY      C 3850  -1.664  -0.189  -1.418
+  275GLY      O 3851  -1.712  -0.078  -1.416
+  276PRO      N 3852  -1.617  -0.241  -1.531
+  276PRO     CD 3853  -1.539  -0.365  -1.541
+  276PRO    HD1 3854  -1.602  -0.441  -1.591
+  276PRO    HD2 3855  -1.503  -0.405  -1.443
+  276PRO     CA 3856  -1.594  -0.154  -1.647
+  276PRO     HA 3857  -1.567  -0.055  -1.614
+  276PRO     CB 3858  -1.478  -0.221  -1.724
+  276PRO    HB1 3859  -1.401  -0.146  -1.752
+  276PRO    HB2 3860  -1.512  -0.274  -1.815
+  276PRO     CG 3861  -1.420  -0.326  -1.628
+  276PRO    HG1 3862  -1.375  -0.412  -1.680
+  276PRO    HG2 3863  -1.342  -0.278  -1.564
+  276PRO      C 3864  -1.715  -0.144  -1.736
+  276PRO      O 3865  -1.763  -0.245  -1.788
+  277GLY      N 3866  -1.763  -0.021  -1.764
+  277GLY     HN 3867  -1.726   0.062  -1.719
+  277GLY     CA 3868  -1.875   0.002  -1.853
+  277GLY    HA1 3869  -1.904  -0.090  -1.903
+  277GLY    HA2 3870  -1.846   0.080  -1.922
+  277GLY      C 3871  -1.995   0.051  -1.779
+  277GLY      O 3872  -2.002   0.056  -1.656
+  278SER      N 3873  -2.100   0.085  -1.854
+  278SER     HN 3874  -2.098   0.075  -1.954
+  278SER     CA 3875  -2.218   0.150  -1.800
+  278SER     HA 3876  -2.191   0.208  -1.714
+  278SER     CB 3877  -2.279   0.245  -1.906
+  278SER    HB1 3878  -2.204   0.325  -1.925
+  278SER    HB2 3879  -2.372   0.293  -1.869
+  278SER     OG 3880  -2.303   0.176  -2.029
+  278SER    HG1 3881  -2.379   0.119  -2.014
+  278SER      C 3882  -2.323   0.049  -1.755
+  278SER      O 3883  -2.439   0.081  -1.734
+  279SER      N 3884  -2.280  -0.076  -1.735
+  279SER     HN 3885  -2.186  -0.101  -1.758
+  279SER     CA 3886  -2.357  -0.184  -1.678
+  279SER     HA 3887  -2.463  -0.166  -1.692
+  279SER     CB 3888  -2.316  -0.318  -1.745
+  279SER    HB1 3889  -2.357  -0.319  -1.848
+  279SER    HB2 3890  -2.359  -0.406  -1.691
+  279SER     OG 3891  -2.174  -0.331  -1.753
+  279SER    HG1 3892  -2.141  -0.359  -1.666
+  279SER      C 3893  -2.333  -0.196  -1.530
+  279SER      O 3894  -2.394  -0.279  -1.463
+  280PHE      N 3895  -2.244  -0.109  -1.477
+  280PHE     HN 3896  -2.199  -0.042  -1.535
+  280PHE     CA 3897  -2.204  -0.105  -1.339
+  280PHE     HA 3898  -2.258  -0.180  -1.283
+  280PHE     CB 3899  -2.052  -0.127  -1.321
+  280PHE    HB1 3900  -2.022  -0.119  -1.214
+  280PHE    HB2 3901  -1.993  -0.051  -1.379
+  280PHE     CG 3902  -2.015  -0.264  -1.371
+  280PHE    CD1 3903  -2.010  -0.373  -1.283
+  280PHE    HD1 3904  -2.034  -0.358  -1.179
+  280PHE    CE1 3905  -1.970  -0.500  -1.327
+  280PHE    HE1 3906  -1.963  -0.581  -1.257
+  280PHE     CZ 3907  -1.935  -0.518  -1.462
+  280PHE     HZ 3908  -1.903  -0.615  -1.496
+  280PHE    CD2 3909  -1.978  -0.284  -1.505
+  280PHE    HD2 3910  -1.977  -0.200  -1.573
+  280PHE    CE2 3911  -1.939  -0.411  -1.551
+  280PHE    HE2 3912  -1.911  -0.424  -1.654
+  280PHE      C 3913  -2.243   0.029  -1.280
+  280PHE      O 3914  -2.253   0.131  -1.350
+  281THR      N 3915  -2.274   0.031  -1.150
+  281THR     HN 3916  -2.271  -0.055  -1.097
+  281THR     CA 3917  -2.312   0.150  -1.075
+  281THR     HA 3918  -2.397   0.194  -1.124
+  281THR     CB 3919  -2.349   0.117  -0.931
+  281THR     HB 3920  -2.259   0.086  -0.873
+  281THR    OG1 3921  -2.442   0.009  -0.925
+  281THR    HG1 3922  -2.513   0.028  -0.989
+  281THR    CG2 3923  -2.415   0.236  -0.861
+  281THR   HG21 3924  -2.502   0.272  -0.919
+  281THR   HG22 3925  -2.342   0.320  -0.850
+  281THR   HG23 3926  -2.448   0.207  -0.759
+  281THR      C 3927  -2.202   0.256  -1.075
+  281THR      O 3928  -2.227   0.373  -1.100
+  282LEU      N 3929  -2.077   0.212  -1.056
+  282LEU     HN 3930  -2.061   0.116  -1.031
+  282LEU     CA 3931  -1.958   0.292  -1.073
+  282LEU     HA 3932  -1.983   0.394  -1.096
+  282LEU     CB 3933  -1.867   0.287  -0.947
+  282LEU    HB1 3934  -1.774   0.345  -0.965
+  282LEU    HB2 3935  -1.838   0.181  -0.928
+  282LEU     CG 3936  -1.930   0.343  -0.818
+  282LEU     HG 3937  -2.024   0.287  -0.797
+  282LEU    CD1 3938  -1.835   0.319  -0.700
+  282LEU   HD11 3939  -1.739   0.372  -0.715
+  282LEU   HD12 3940  -1.813   0.210  -0.689
+  282LEU   HD13 3941  -1.881   0.354  -0.606
+  282LEU    CD2 3942  -1.962   0.493  -0.830
+  282LEU   HD21 3943  -2.039   0.510  -0.907
+  282LEU   HD22 3944  -1.870   0.549  -0.856
+  282LEU   HD23 3945  -1.999   0.530  -0.732
+  282LEU      C 3946  -1.882   0.234  -1.191
+  282LEU      O 3947  -1.841   0.118  -1.192
+  283ASP      N 3948  -1.862   0.316  -1.296
+  283ASP     HN 3949  -1.889   0.413  -1.291
+  283ASP     CA 3950  -1.801   0.276  -1.421
+  283ASP     HA 3951  -1.816   0.169  -1.436
+  283ASP     CB 3952  -1.869   0.355  -1.536
+  283ASP    HB1 3953  -1.863   0.463  -1.512
+  283ASP    HB2 3954  -1.977   0.326  -1.538
+  283ASP     CG 3955  -1.814   0.336  -1.676
+  283ASP    OD1 3956  -1.707   0.270  -1.696
+  283ASP    OD2 3957  -1.874   0.395  -1.768
+  283ASP      C 3958  -1.651   0.301  -1.410
+  283ASP      O 3959  -1.608   0.414  -1.386
+  284THR      N 3960  -1.567   0.198  -1.424
+  284THR     HN 3961  -1.602   0.105  -1.442
+  284THR     CA 3962  -1.424   0.208  -1.395
+  284THR     HA 3963  -1.408   0.284  -1.321
+  284THR     CB 3964  -1.364   0.078  -1.342
+  284THR     HB 3965  -1.255   0.087  -1.326
+  284THR    OG1 3966  -1.388  -0.031  -1.430
+  284THR    HG1 3967  -1.358  -0.110  -1.383
+  284THR    CG2 3968  -1.430   0.044  -1.208
+  284THR   HG21 3969  -1.541   0.041  -1.216
+  284THR   HG22 3970  -1.402   0.119  -1.131
+  284THR   HG23 3971  -1.396  -0.055  -1.171
+  284THR      C 3972  -1.345   0.251  -1.517
+  284THR      O 3973  -1.222   0.257  -1.515
+  285THR      N 3974  -1.415   0.292  -1.625
+  285THR     HN 3975  -1.515   0.283  -1.625
+  285THR     CA 3976  -1.352   0.351  -1.742
+  285THR     HA 3977  -1.251   0.316  -1.750
+  285THR     CB 3978  -1.424   0.315  -1.873
+  285THR     HB 3979  -1.363   0.352  -1.959
+  285THR    OG1 3980  -1.556   0.371  -1.885
+  285THR    HG1 3981  -1.610   0.327  -1.816
+  285THR    CG2 3982  -1.435   0.162  -1.884
+  285THR   HG21 3983  -1.501   0.121  -1.805
+  285THR   HG22 3984  -1.335   0.115  -1.874
+  285THR   HG23 3985  -1.478   0.134  -1.983
+  285THR      C 3986  -1.348   0.502  -1.727
+  285THR      O 3987  -1.300   0.574  -1.815
+  286LYS      N 3988  -1.396   0.552  -1.612
+  286LYS     HN 3989  -1.428   0.488  -1.541
+  286LYS     CA 3990  -1.410   0.691  -1.580
+  286LYS     HA 3991  -1.352   0.751  -1.648
+  286LYS     CB 3992  -1.560   0.733  -1.583
+  286LYS    HB1 3993  -1.571   0.839  -1.551
+  286LYS    HB2 3994  -1.615   0.669  -1.510
+  286LYS     CG 3995  -1.625   0.715  -1.722
+  286LYS    HG1 3996  -1.603   0.611  -1.757
+  286LYS    HG2 3997  -1.578   0.786  -1.793
+  286LYS     CD 3998  -1.778   0.733  -1.720
+  286LYS    HD1 3999  -1.801   0.832  -1.676
+  286LYS    HD2 4000  -1.822   0.655  -1.652
+  286LYS     CE 4001  -1.844   0.722  -1.859
+  286LYS    HE1 4002  -1.806   0.804  -1.924
+  286LYS    HE2 4003  -1.954   0.732  -1.849
+  286LYS     NZ 4004  -1.814   0.592  -1.923
+  286LYS    HZ1 4005  -1.847   0.514  -1.859
+  286LYS    HZ2 4006  -1.712   0.575  -1.934
+  286LYS    HZ3 4007  -1.864   0.578  -2.013
+  286LYS      C 4008  -1.356   0.711  -1.440
+  286LYS      O 4009  -1.362   0.624  -1.355
+  287LYS      N 4010  -1.299   0.832  -1.414
+  287LYS     HN 4011  -1.289   0.898  -1.487
+  287LYS     CA 4012  -1.253   0.872  -1.283
+  287LYS     HA 4013  -1.184   0.796  -1.248
+  287LYS     CB 4014  -1.179   1.009  -1.293
+  287LYS    HB1 4015  -1.253   1.089  -1.313
+  287LYS    HB2 4016  -1.110   1.002  -1.380
+  287LYS     CG 4017  -1.093   1.046  -1.170
+  287LYS    HG1 4018  -1.015   0.967  -1.159
+  287LYS    HG2 4019  -1.155   1.044  -1.078
+  287LYS     CD 4020  -1.021   1.182  -1.180
+  287LYS    HD1 4021  -0.957   1.182  -1.271
+  287LYS    HD2 4022  -0.954   1.189  -1.092
+  287LYS     CE 4023  -1.117   1.302  -1.184
+  287LYS    HE1 4024  -1.196   1.291  -1.107
+  287LYS    HE2 4025  -1.163   1.311  -1.284
+  287LYS     NZ 4026  -1.044   1.427  -1.154
+  287LYS    HZ1 4027  -0.953   1.427  -1.205
+  287LYS    HZ2 4028  -1.030   1.433  -1.050
+  287LYS    HZ3 4029  -1.100   1.509  -1.186
+  287LYS      C 4030  -1.368   0.878  -1.182
+  287LYS      O 4031  -1.481   0.911  -1.214
+  288LEU      N 4032  -1.339   0.844  -1.055
+  288LEU     HN 4033  -1.247   0.813  -1.029
+  288LEU     CA 4034  -1.436   0.847  -0.949
+  288LEU     HA 4035  -1.517   0.913  -0.975
+  288LEU     CB 4036  -1.494   0.707  -0.913
+  288LEU    HB1 4037  -1.548   0.667  -1.001
+  288LEU    HB2 4038  -1.570   0.720  -0.832
+  288LEU     CG 4039  -1.394   0.599  -0.865
+  288LEU     HG 4040  -1.320   0.644  -0.794
+  288LEU    CD1 4041  -1.469   0.490  -0.787
+  288LEU   HD11 4042  -1.545   0.441  -0.851
+  288LEU   HD12 4043  -1.520   0.534  -0.698
+  288LEU   HD13 4044  -1.398   0.412  -0.751
+  288LEU    CD2 4045  -1.316   0.535  -0.981
+  288LEU   HD21 4046  -1.243   0.606  -1.025
+  288LEU   HD22 4047  -1.385   0.503  -1.061
+  288LEU   HD23 4048  -1.259   0.446  -0.946
+  288LEU      C 4049  -1.370   0.907  -0.827
+  288LEU      O 4050  -1.247   0.914  -0.817
+  289THR      N 4051  -1.452   0.954  -0.733
+  289THR     HN 4052  -1.551   0.954  -0.748
+  289THR     CA 4053  -1.408   1.009  -0.607
+  289THR     HA 4054  -1.301   1.020  -0.605
+  289THR     CB 4055  -1.474   1.143  -0.574
+  289THR     HB 4056  -1.583   1.127  -0.558
+  289THR    OG1 4057  -1.457   1.236  -0.680
+  289THR    HG1 4058  -1.361   1.256  -0.681
+  289THR    CG2 4059  -1.413   1.208  -0.449
+  289THR   HG21 4060  -1.304   1.222  -0.464
+  289THR   HG22 4061  -1.429   1.146  -0.358
+  289THR   HG23 4062  -1.460   1.307  -0.432
+  289THR      C 4063  -1.447   0.908  -0.501
+  289THR      O 4064  -1.555   0.853  -0.503
+  290VAL      N 4065  -1.355   0.883  -0.406
+  290VAL     HN 4066  -1.267   0.931  -0.407
+  290VAL     CA 4067  -1.370   0.783  -0.302
+  290VAL     HA 4068  -1.469   0.740  -0.304
+  290VAL     CB 4069  -1.265   0.673  -0.316
+  290VAL     HB 4070  -1.163   0.717  -0.307
+  290VAL    CG1 4071  -1.284   0.566  -0.207
+  290VAL   HG11 4072  -1.385   0.521  -0.213
+  290VAL   HG12 4073  -1.268   0.607  -0.105
+  290VAL   HG13 4074  -1.210   0.484  -0.222
+  290VAL    CG2 4075  -1.275   0.608  -0.456
+  290VAL   HG21 4076  -1.251   0.681  -0.536
+  290VAL   HG22 4077  -1.376   0.568  -0.474
+  290VAL   HG23 4078  -1.202   0.525  -0.464
+  290VAL      C 4079  -1.353   0.857  -0.171
+  290VAL      O 4080  -1.252   0.926  -0.150
+  291VAL      N 4081  -1.452   0.850  -0.080
+  291VAL     HN 4082  -1.535   0.797  -0.097
+  291VAL     CA 4083  -1.448   0.921   0.046
+  291VAL     HA 4084  -1.352   0.970   0.059
+  291VAL     CB 4085  -1.557   1.027   0.060
+  291VAL     HB 4086  -1.657   0.979   0.062
+  291VAL    CG1 4087  -1.536   1.108   0.190
+  291VAL   HG11 4088  -1.433   1.151   0.194
+  291VAL   HG12 4089  -1.550   1.045   0.280
+  291VAL   HG13 4090  -1.608   1.192   0.196
+  291VAL    CG2 4091  -1.552   1.121  -0.063
+  291VAL   HG21 4092  -1.582   1.066  -0.155
+  291VAL   HG22 4093  -1.450   1.161  -0.077
+  291VAL   HG23 4094  -1.622   1.206  -0.049
+  291VAL      C 4095  -1.464   0.820   0.157
+  291VAL      O 4096  -1.556   0.741   0.161
+  292THR      N 4097  -1.368   0.820   0.252
+  292THR     HN 4098  -1.295   0.888   0.250
+  292THR     CA 4099  -1.365   0.722   0.361
+  292THR     HA 4100  -1.453   0.659   0.358
+  292THR     CB 4101  -1.242   0.634   0.356
+  292THR     HB 4102  -1.150   0.691   0.383
+  292THR    OG1 4103  -1.226   0.583   0.224
+  292THR    HG1 4104  -1.208   0.662   0.170
+  292THR    CG2 4105  -1.257   0.513   0.449
+  292THR   HG21 4106  -1.347   0.453   0.423
+  292THR   HG22 4107  -1.265   0.545   0.555
+  292THR   HG23 4108  -1.168   0.447   0.440
+  292THR      C 4109  -1.369   0.800   0.488
+  292THR      O 4110  -1.290   0.895   0.506
+  293GLN      N 4111  -1.462   0.769   0.579
+  293GLN     HN 4112  -1.520   0.688   0.566
+  293GLN     CA 4113  -1.489   0.848   0.698
+  293GLN     HA 4114  -1.423   0.933   0.703
+  293GLN     CB 4115  -1.638   0.894   0.702
+  293GLN    HB1 4116  -1.651   0.964   0.787
+  293GLN    HB2 4117  -1.702   0.805   0.721
+  293GLN     CG 4118  -1.687   0.961   0.571
+  293GLN    HG1 4119  -1.675   0.891   0.485
+  293GLN    HG2 4120  -1.627   1.051   0.550
+  293GLN     CD 4121  -1.836   0.998   0.576
+  293GLN    OE1 4122  -1.926   0.913   0.581
+  293GLN    NE2 4123  -1.865   1.130   0.574
+  293GLN   HE21 4124  -1.789   1.196   0.567
+  293GLN   HE22 4125  -1.959   1.158   0.593
+  293GLN      C 4126  -1.464   0.758   0.818
+  293GLN      O 4127  -1.510   0.647   0.823
+  294PHE      N 4128  -1.387   0.810   0.918
+  294PHE     HN 4129  -1.347   0.901   0.913
+  294PHE     CA 4130  -1.354   0.732   1.036
+  294PHE     HA 4131  -1.389   0.630   1.028
+  294PHE     CB 4132  -1.202   0.734   1.063
+  294PHE    HB1 4133  -1.177   0.682   1.158
+  294PHE    HB2 4134  -1.166   0.839   1.069
+  294PHE     CG 4135  -1.127   0.669   0.951
+  294PHE    CD1 4136  -1.088   0.739   0.836
+  294PHE    HD1 4137  -1.114   0.844   0.826
+  294PHE    CE1 4138  -1.018   0.675   0.733
+  294PHE    HE1 4139  -0.990   0.730   0.644
+  294PHE     CZ 4140  -0.985   0.540   0.746
+  294PHE     HZ 4141  -0.931   0.488   0.668
+  294PHE    CD2 4142  -1.090   0.534   0.964
+  294PHE    HD2 4143  -1.117   0.479   1.053
+  294PHE    CE2 4144  -1.020   0.470   0.862
+  294PHE    HE2 4145  -0.994   0.366   0.873
+  294PHE      C 4146  -1.421   0.794   1.156
+  294PHE      O 4147  -1.373   0.897   1.209
+  295GLU      N 4148  -1.530   0.737   1.207
+  295GLU     HN 4149  -1.564   0.649   1.172
+  295GLU     CA 4150  -1.601   0.797   1.318
+  295GLU     HA 4151  -1.586   0.904   1.312
+  295GLU     CB 4152  -1.755   0.777   1.315
+  295GLU    HB1 4153  -1.794   0.809   1.215
+  295GLU    HB2 4154  -1.798   0.848   1.389
+  295GLU     CG 4155  -1.807   0.636   1.346
+  295GLU    HG1 4156  -1.736   0.580   1.411
+  295GLU    HG2 4157  -1.819   0.576   1.253
+  295GLU     CD 4158  -1.939   0.641   1.422
+  295GLU    OE1 4159  -2.041   0.700   1.369
+  295GLU    OE2 4160  -1.941   0.594   1.536
+  295GLU      C 4161  -1.542   0.755   1.451
+  295GLU      O 4162  -1.453   0.670   1.463
+  296THR      N 4163  -1.589   0.817   1.560
+  296THR     HN 4164  -1.666   0.880   1.554
+  296THR     CA 4165  -1.525   0.810   1.691
+  296THR     HA 4166  -1.418   0.809   1.674
+  296THR     CB 4167  -1.555   0.932   1.777
+  296THR     HB 4168  -1.514   0.920   1.880
+  296THR    OG1 4169  -1.695   0.958   1.785
+  296THR    HG1 4170  -1.704   1.051   1.806
+  296THR    CG2 4171  -1.486   1.052   1.711
+  296THR   HG21 4172  -1.528   1.072   1.610
+  296THR   HG22 4173  -1.378   1.030   1.697
+  296THR   HG23 4174  -1.497   1.144   1.772
+  296THR      C 4175  -1.554   0.685   1.769
+  296THR      O 4176  -1.489   0.658   1.870
+  297SER      N 4177  -1.651   0.602   1.727
+  297SER     HN 4178  -1.709   0.624   1.648
+  297SER     CA 4179  -1.664   0.466   1.779
+  297SER     HA 4180  -1.669   0.474   1.887
+  297SER     CB 4181  -1.793   0.395   1.731
+  297SER    HB1 4182  -1.880   0.458   1.761
+  297SER    HB2 4183  -1.804   0.296   1.778
+  297SER     OG 4184  -1.798   0.383   1.588
+  297SER    HG1 4185  -1.857   0.454   1.557
+  297SER      C 4186  -1.542   0.380   1.748
+  297SER      O 4187  -1.483   0.318   1.836
+  298GLY      N 4188  -1.497   0.388   1.620
+  298GLY     HN 4189  -1.542   0.452   1.559
+  298GLY     CA 4190  -1.394   0.307   1.558
+  298GLY    HA1 4191  -1.365   0.225   1.622
+  298GLY    HA2 4192  -1.312   0.372   1.531
+  298GLY      C 4193  -1.445   0.247   1.430
+  298GLY      O 4194  -1.373   0.174   1.362
+  299ALA      N 4195  -1.571   0.276   1.393
+  299ALA     HN 4196  -1.631   0.331   1.451
+  299ALA     CA 4197  -1.632   0.233   1.270
+  299ALA     HA 4198  -1.598   0.132   1.248
+  299ALA     CB 4199  -1.786   0.230   1.282
+  299ALA    HB1 4200  -1.826   0.332   1.300
+  299ALA    HB2 4201  -1.816   0.166   1.367
+  299ALA    HB3 4202  -1.833   0.190   1.190
+  299ALA      C 4203  -1.593   0.318   1.151
+  299ALA      O 4204  -1.557   0.437   1.164
+  300ILE      N 4205  -1.599   0.259   1.031
+  300ILE     HN 4206  -1.633   0.164   1.023
+  300ILE     CA 4207  -1.555   0.321   0.908
+  300ILE     HA 4208  -1.528   0.424   0.927
+  300ILE     CB 4209  -1.434   0.250   0.847
+  300ILE     HB 4210  -1.463   0.148   0.814
+  300ILE    CG2 4211  -1.385   0.330   0.723
+  300ILE   HG21 4212  -1.354   0.432   0.753
+  300ILE   HG22 4213  -1.465   0.338   0.646
+  300ILE   HG23 4214  -1.299   0.279   0.676
+  300ILE    CG1 4215  -1.321   0.233   0.952
+  300ILE   HG11 4216  -1.360   0.181   1.042
+  300ILE   HG12 4217  -1.286   0.334   0.984
+  300ILE     CD 4218  -1.202   0.150   0.902
+  300ILE    HD1 4219  -1.152   0.199   0.816
+  300ILE    HD2 4220  -1.235   0.049   0.870
+  300ILE    HD3 4221  -1.126   0.138   0.983
+  300ILE      C 4222  -1.674   0.322   0.813
+  300ILE      O 4223  -1.738   0.223   0.785
+  301ASN      N 4224  -1.707   0.443   0.760
+  301ASN     HN 4225  -1.650   0.522   0.783
+  301ASN     CA 4226  -1.810   0.460   0.660
+  301ASN     HA 4227  -1.863   0.366   0.647
+  301ASN     CB 4228  -1.912   0.572   0.695
+  301ASN    HB1 4229  -1.992   0.579   0.619
+  301ASN    HB2 4230  -1.860   0.669   0.700
+  301ASN     CG 4231  -1.977   0.552   0.832
+  301ASN    OD1 4232  -1.956   0.634   0.922
+  301ASN    ND2 4233  -2.063   0.449   0.844
+  301ASN   HD21 4234  -2.100   0.428   0.937
+  301ASN   HD22 4235  -2.077   0.384   0.771
+  301ASN      C 4236  -1.745   0.493   0.527
+  301ASN      O 4237  -1.630   0.539   0.520
+  302ARG      N 4238  -1.818   0.474   0.418
+  302ARG     HN 4239  -1.911   0.438   0.422
+  302ARG     CA 4240  -1.766   0.493   0.284
+  302ARG     HA 4241  -1.690   0.570   0.286
+  302ARG     CB 4242  -1.702   0.361   0.234
+  302ARG    HB1 4243  -1.768   0.277   0.266
+  302ARG    HB2 4244  -1.605   0.346   0.287
+  302ARG     CG 4245  -1.680   0.343   0.081
+  302ARG    HG1 4246  -1.778   0.350   0.030
+  302ARG    HG2 4247  -1.645   0.239   0.064
+  302ARG     CD 4248  -1.582   0.438   0.013
+  302ARG    HD1 4249  -1.609   0.544   0.031
+  302ARG    HD2 4250  -1.580   0.423  -0.097
+  302ARG     NE 4251  -1.444   0.415   0.069
+  302ARG     HE 4252  -1.406   0.478   0.135
+  302ARG     CZ 4253  -1.361   0.322   0.023
+  302ARG    NH1 4254  -1.389   0.232  -0.066
+  302ARG   HH11 4255  -1.483   0.221  -0.101
+  302ARG   HH12 4256  -1.324   0.162  -0.096
+  302ARG    NH2 4257  -1.238   0.327   0.076
+  302ARG   HH21 4258  -1.217   0.397   0.142
+  302ARG   HH22 4259  -1.168   0.261   0.048
+  302ARG      C 4260  -1.876   0.543   0.192
+  302ARG      O 4261  -1.989   0.500   0.198
+  303TYR      N 4262  -1.840   0.640   0.104
+  303TYR     HN 4263  -1.749   0.679   0.104
+  303TYR     CA 4264  -1.926   0.677  -0.006
+  303TYR     HA 4265  -1.981   0.590  -0.038
+  303TYR     CB 4266  -2.028   0.791   0.027
+  303TYR    HB1 4267  -2.085   0.761   0.118
+  303TYR    HB2 4268  -2.102   0.799  -0.055
+  303TYR     CG 4269  -1.969   0.928   0.051
+  303TYR    CD1 4270  -1.956   1.018  -0.056
+  303TYR    HD1 4271  -1.979   0.986  -0.157
+  303TYR    CE1 4272  -1.915   1.151  -0.034
+  303TYR    HE1 4273  -1.905   1.219  -0.116
+  303TYR     CZ 4274  -1.886   1.193   0.096
+  303TYR     OH 4275  -1.848   1.327   0.119
+  303TYR     HH 4276  -1.815   1.334   0.210
+  303TYR    CD2 4277  -1.939   0.972   0.180
+  303TYR    HD2 4278  -1.950   0.903   0.263
+  303TYR    CE2 4279  -1.897   1.104   0.203
+  303TYR    HE2 4280  -1.873   1.136   0.303
+  303TYR      C 4281  -1.837   0.712  -0.123
+  303TYR      O 4282  -1.714   0.733  -0.108
+  304TYR      N 4283  -1.894   0.716  -0.242
+  304TYR     HN 4284  -1.994   0.698  -0.250
+  304TYR     CA 4285  -1.826   0.738  -0.366
+  304TYR     HA 4286  -1.726   0.774  -0.348
+  304TYR     CB 4287  -1.825   0.613  -0.459
+  304TYR    HB1 4288  -1.759   0.631  -0.547
+  304TYR    HB2 4289  -1.927   0.591  -0.497
+  304TYR     CG 4290  -1.778   0.488  -0.388
+  304TYR    CD1 4291  -1.864   0.415  -0.304
+  304TYR    HD1 4292  -1.965   0.450  -0.287
+  304TYR    CE1 4293  -1.819   0.298  -0.241
+  304TYR    HE1 4294  -1.885   0.244  -0.173
+  304TYR     CZ 4295  -1.691   0.250  -0.264
+  304TYR     OH 4296  -1.638   0.139  -0.192
+  304TYR     HH 4297  -1.602   0.074  -0.254
+  304TYR    CD2 4298  -1.650   0.437  -0.413
+  304TYR    HD2 4299  -1.583   0.488  -0.480
+  304TYR    CE2 4300  -1.606   0.317  -0.352
+  304TYR    HE2 4301  -1.507   0.279  -0.371
+  304TYR      C 4302  -1.906   0.846  -0.436
+  304TYR      O 4303  -2.025   0.862  -0.414
+  305VAL      N 4304  -1.839   0.923  -0.524
+  305VAL     HN 4305  -1.742   0.909  -0.540
+  305VAL     CA 4306  -1.909   1.019  -0.608
+  305VAL     HA 4307  -2.014   0.998  -0.608
+  305VAL     CB 4308  -1.890   1.166  -0.567
+  305VAL     HB 4309  -1.783   1.196  -0.580
+  305VAL    CG1 4310  -1.977   1.258  -0.655
+  305VAL   HG11 4311  -2.085   1.231  -0.645
+  305VAL   HG12 4312  -1.948   1.251  -0.762
+  305VAL   HG13 4313  -1.964   1.363  -0.623
+  305VAL    CG2 4314  -1.926   1.184  -0.419
+  305VAL   HG21 4315  -1.855   1.128  -0.354
+  305VAL   HG22 4316  -2.029   1.148  -0.398
+  305VAL   HG23 4317  -1.920   1.291  -0.390
+  305VAL      C 4318  -1.859   0.997  -0.748
+  305VAL      O 4319  -1.737   0.999  -0.774
+  306GLN      N 4320  -1.948   0.975  -0.845
+  306GLN     HN 4321  -2.046   0.966  -0.823
+  306GLN     CA 4322  -1.909   0.973  -0.984
+  306GLN     HA 4323  -1.817   1.028  -0.996
+  306GLN     CB 4324  -1.886   0.831  -1.040
+  306GLN    HB1 4325  -1.979   0.770  -1.028
+  306GLN    HB2 4326  -1.808   0.783  -0.977
+  306GLN     CG 4327  -1.840   0.830  -1.187
+  306GLN    HG1 4328  -1.753   0.898  -1.200
+  306GLN    HG2 4329  -1.922   0.866  -1.253
+  306GLN     CD 4330  -1.802   0.690  -1.235
+  306GLN    OE1 4331  -1.890   0.609  -1.269
+  306GLN    NE2 4332  -1.671   0.660  -1.239
+  306GLN   HE21 4333  -1.643   0.568  -1.270
+  306GLN   HE22 4334  -1.602   0.728  -1.214
+  306GLN      C 4335  -2.013   1.047  -1.065
+  306GLN      O 4336  -2.132   1.022  -1.058
+  307ASN      N 4337  -1.967   1.148  -1.142
+  307ASN     HN 4338  -1.869   1.165  -1.140
+  307ASN     CA 4339  -2.049   1.230  -1.229
+  307ASN     HA 4340  -1.982   1.301  -1.274
+  307ASN     CB 4341  -2.118   1.150  -1.344
+  307ASN    HB1 4342  -2.176   1.219  -1.409
+  307ASN    HB2 4343  -2.188   1.075  -1.301
+  307ASN     CG 4344  -2.013   1.082  -1.431
+  307ASN    OD1 4345  -1.898   1.124  -1.437
+  307ASN    ND2 4346  -2.055   0.975  -1.501
+  307ASN   HD21 4347  -1.984   0.918  -1.545
+  307ASN   HD22 4348  -2.149   0.944  -1.495
+  307ASN      C 4349  -2.149   1.317  -1.153
+  307ASN      O 4350  -2.254   1.356  -1.205
+  308GLY      N 4351  -2.114   1.350  -1.027
+  308GLY     HN 4352  -2.029   1.313  -0.992
+  308GLY     CA 4353  -2.192   1.436  -0.938
+  308GLY    HA1 4354  -2.246   1.509  -0.996
+  308GLY    HA2 4355  -2.122   1.478  -0.868
+  308GLY      C 4356  -2.293   1.360  -0.857
+  308GLY      O 4357  -2.365   1.417  -0.776
+  309VAL      N 4358  -2.298   1.227  -0.877
+  309VAL     HN 4359  -2.232   1.182  -0.937
+  309VAL     CA 4360  -2.397   1.140  -0.820
+  309VAL     HA 4361  -2.481   1.197  -0.782
+  309VAL     CB 4362  -2.446   1.036  -0.920
+  309VAL     HB 4363  -2.361   0.971  -0.952
+  309VAL    CG1 4364  -2.555   0.948  -0.856
+  309VAL   HG11 4365  -2.639   1.010  -0.819
+  309VAL   HG12 4366  -2.515   0.886  -0.773
+  309VAL   HG13 4367  -2.595   0.878  -0.932
+  309VAL    CG2 4368  -2.502   1.106  -1.046
+  309VAL   HG21 4369  -2.435   1.187  -1.082
+  309VAL   HG22 4370  -2.603   1.147  -1.025
+  309VAL   HG23 4371  -2.512   1.031  -1.127
+  309VAL      C 4372  -2.330   1.070  -0.705
+  309VAL      O 4373  -2.224   1.010  -0.720
+  310THR      N 4374  -2.390   1.080  -0.585
+  310THR     HN 4375  -2.478   1.125  -0.576
+  310THR     CA 4376  -2.333   1.022  -0.464
+  310THR     HA 4377  -2.227   1.010  -0.477
+  310THR     CB 4378  -2.355   1.110  -0.343
+  310THR     HB 4379  -2.464   1.127  -0.326
+  310THR    OG1 4380  -2.293   1.237  -0.364
+  310THR    HG1 4381  -2.316   1.262  -0.454
+  310THR    CG2 4382  -2.292   1.050  -0.216
+  310THR   HG21 4383  -2.186   1.024  -0.235
+  310THR   HG22 4384  -2.346   0.959  -0.183
+  310THR   HG23 4385  -2.296   1.123  -0.133
+  310THR      C 4386  -2.393   0.885  -0.441
+  310THR      O 4387  -2.513   0.865  -0.440
+  311PHE      N 4388  -2.304   0.785  -0.421
+  311PHE     HN 4389  -2.206   0.804  -0.422
+  311PHE     CA 4390  -2.342   0.649  -0.391
+  311PHE     HA 4391  -2.450   0.639  -0.384
+  311PHE     CB 4392  -2.286   0.547  -0.494
+  311PHE    HB1 4393  -2.318   0.444  -0.468
+  311PHE    HB2 4394  -2.175   0.549  -0.495
+  311PHE     CG 4395  -2.336   0.579  -0.632
+  311PHE    CD1 4396  -2.458   0.528  -0.677
+  311PHE    HD1 4397  -2.519   0.468  -0.611
+  311PHE    CE1 4398  -2.502   0.551  -0.809
+  311PHE    HE1 4399  -2.596   0.511  -0.842
+  311PHE     CZ 4400  -2.421   0.624  -0.897
+  311PHE     HZ 4401  -2.453   0.639  -0.999
+  311PHE    CD2 4402  -2.257   0.654  -0.721
+  311PHE    HD2 4403  -2.162   0.693  -0.688
+  311PHE    CE2 4404  -2.299   0.676  -0.853
+  311PHE    HE2 4405  -2.236   0.732  -0.921
+  311PHE      C 4406  -2.283   0.618  -0.257
+  311PHE      O 4407  -2.162   0.633  -0.236
+  312GLN      N 4408  -2.364   0.575  -0.160
+  312GLN     HN 4409  -2.461   0.563  -0.177
+  312GLN     CA 4410  -2.314   0.516  -0.037
+  312GLN     HA 4411  -2.235   0.578   0.002
+  312GLN     CB 4412  -2.429   0.502   0.067
+  312GLN    HB1 4413  -2.499   0.421   0.034
+  312GLN    HB2 4414  -2.487   0.597   0.066
+  312GLN     CG 4415  -2.385   0.475   0.213
+  312GLN    HG1 4416  -2.324   0.382   0.217
+  312GLN    HG2 4417  -2.476   0.459   0.274
+  312GLN     CD 4418  -2.306   0.591   0.274
+  312GLN    OE1 4419  -2.307   0.705   0.228
+  312GLN    NE2 4420  -2.240   0.563   0.389
+  312GLN   HE21 4421  -2.181   0.635   0.424
+  312GLN   HE22 4422  -2.234   0.468   0.420
+  312GLN      C 4423  -2.257   0.379  -0.071
+  312GLN      O 4424  -2.300   0.317  -0.168
+  313GLN      N 4425  -2.159   0.329   0.008
+  313GLN     HN 4426  -2.118   0.385   0.079
+  313GLN     CA 4427  -2.122   0.187   0.013
+  313GLN     HA 4428  -2.056   0.169  -0.070
+  313GLN     CB 4429  -2.045   0.162   0.146
+  313GLN    HB1 4430  -2.115   0.180   0.231
+  313GLN    HB2 4431  -1.965   0.238   0.154
+  313GLN     CG 4432  -1.982   0.022   0.166
+  313GLN    HG1 4433  -2.054  -0.058   0.142
+  313GLN    HG2 4434  -1.952   0.009   0.272
+  313GLN     CD 4435  -1.860   0.003   0.075
+  313GLN    OE1 4436  -1.875  -0.005  -0.046
+  313GLN    NE2 4437  -1.738  -0.002   0.134
+  313GLN   HE21 4438  -1.661  -0.021   0.074
+  313GLN   HE22 4439  -1.730  -0.007   0.233
+  313GLN      C 4440  -2.244   0.094   0.004
+  313GLN      O 4441  -2.340   0.118   0.075
+  314PRO      N 4442  -2.251  -0.009  -0.083
+  314PRO     CD 4443  -2.161  -0.034  -0.194
+  314PRO    HD1 4444  -2.072  -0.091  -0.158
+  314PRO    HD2 4445  -2.128   0.061  -0.243
+  314PRO     CA 4446  -2.364  -0.100  -0.085
+  314PRO     HA 4447  -2.451  -0.040  -0.109
+  314PRO     CB 4448  -2.331  -0.201  -0.195
+  314PRO    HB1 4449  -2.422  -0.241  -0.243
+  314PRO    HB2 4450  -2.270  -0.286  -0.154
+  314PRO     CG 4451  -2.243  -0.120  -0.290
+  314PRO    HG1 4452  -2.179  -0.184  -0.354
+  314PRO    HG2 4453  -2.306  -0.054  -0.354
+  314PRO      C 4454  -2.392  -0.167   0.047
+  314PRO      O 4455  -2.299  -0.198   0.121
+  315ASN      N 4456  -2.520  -0.194   0.078
+  315ASN     HN 4457  -2.594  -0.158   0.024
+  315ASN     CA 4458  -2.554  -0.289   0.181
+  315ASN     HA 4459  -2.500  -0.259   0.270
+  315ASN     CB 4460  -2.706  -0.296   0.211
+  315ASN    HB1 4461  -2.730  -0.388   0.267
+  315ASN    HB2 4462  -2.763  -0.298   0.116
+  315ASN     CG 4463  -2.748  -0.174   0.292
+  315ASN    OD1 4464  -2.734  -0.058   0.252
+  315ASN    ND2 4465  -2.806  -0.199   0.411
+  315ASN   HD21 4466  -2.835  -0.124   0.470
+  315ASN   HD22 4467  -2.832  -0.293   0.436
+  315ASN      C 4468  -2.503  -0.428   0.147
+  315ASN      O 4469  -2.507  -0.471   0.030
+  316ALA      N 4470  -2.455  -0.496   0.250
+  316ALA     HN 4471  -2.450  -0.455   0.341
+  316ALA     CA 4472  -2.411  -0.632   0.246
+  316ALA     HA 4473  -2.435  -0.678   0.151
+  316ALA     CB 4474  -2.260  -0.638   0.274
+  316ALA    HB1 4475  -2.235  -0.588   0.370
+  316ALA    HB2 4476  -2.204  -0.586   0.193
+  316ALA    HB3 4477  -2.223  -0.743   0.279
+  316ALA      C 4478  -2.489  -0.700   0.356
+  316ALA      O 4479  -2.507  -0.647   0.463
+  317GLU      N 4480  -2.540  -0.822   0.326
+  317GLU     HN 4481  -2.529  -0.863   0.237
+  317GLU     CA 4482  -2.610  -0.900   0.425
+  317GLU     HA 4483  -2.613  -0.849   0.521
+  317GLU     CB 4484  -2.755  -0.934   0.382
+  317GLU    HB1 4485  -2.803  -0.988   0.468
+  317GLU    HB2 4486  -2.754  -1.001   0.294
+  317GLU     CG 4487  -2.837  -0.807   0.348
+  317GLU    HG1 4488  -2.807  -0.767   0.249
+  317GLU    HG2 4489  -2.816  -0.729   0.425
+  317GLU     CD 4490  -2.988  -0.831   0.349
+  317GLU    OE1 4491  -3.040  -0.859   0.458
+  317GLU    OE2 4492  -3.053  -0.812   0.241
+  317GLU      C 4493  -2.527  -1.024   0.443
+  317GLU      O 4494  -2.507  -1.103   0.348
+  318LEU      N 4495  -2.470  -1.042   0.562
+  318LEU     HN 4496  -2.495  -0.981   0.638
+  318LEU     CA 4497  -2.371  -1.142   0.588
+  318LEU     HA 4498  -2.380  -1.223   0.517
+  318LEU     CB 4499  -2.230  -1.077   0.578
+  318LEU    HB1 4500  -2.220  -0.999   0.658
+  318LEU    HB2 4501  -2.225  -1.024   0.481
+  318LEU     CG 4502  -2.109  -1.172   0.584
+  318LEU     HG 4503  -2.113  -1.230   0.679
+  318LEU    CD1 4504  -2.108  -1.270   0.467
+  318LEU   HD11 4505  -2.107  -1.215   0.370
+  318LEU   HD12 4506  -2.197  -1.337   0.468
+  318LEU   HD13 4507  -2.017  -1.334   0.472
+  318LEU    CD2 4508  -1.980  -1.090   0.585
+  318LEU   HD21 4509  -1.969  -1.032   0.679
+  318LEU   HD22 4510  -1.978  -1.018   0.500
+  318LEU   HD23 4511  -1.891  -1.156   0.574
+  318LEU      C 4512  -2.400  -1.195   0.727
+  318LEU      O 4513  -2.394  -1.123   0.825
+  319GLY      N 4514  -2.437  -1.325   0.740
+  319GLY     HN 4515  -2.440  -1.384   0.660
+  319GLY     CA 4516  -2.472  -1.382   0.870
+  319GLY    HA1 4517  -2.386  -1.372   0.934
+  319GLY    HA2 4518  -2.497  -1.486   0.852
+  319GLY      C 4519  -2.591  -1.319   0.939
+  319GLY      O 4520  -2.705  -1.327   0.895
+  320SER      N 4521  -2.568  -1.257   1.057
+  320SER     HN 4522  -2.476  -1.258   1.095
+  320SER     CA 4523  -2.669  -1.183   1.130
+  320SER     HA 4524  -2.768  -1.209   1.095
+  320SER     CB 4525  -2.661  -1.212   1.283
+  320SER    HB1 4526  -2.681  -1.320   1.296
+  320SER    HB2 4527  -2.740  -1.156   1.339
+  320SER     OG 4528  -2.532  -1.185   1.339
+  320SER    HG1 4529  -2.509  -1.094   1.316
+  320SER      C 4530  -2.656  -1.033   1.112
+  320SER      O 4531  -2.729  -0.955   1.171
+  321TYR      N 4532  -2.559  -0.992   1.027
+  321TYR     HN 4533  -2.506  -1.058   0.974
+  321TYR     CA 4534  -2.532  -0.855   0.994
+  321TYR     HA 4535  -2.568  -0.791   1.074
+  321TYR     CB 4536  -2.378  -0.831   0.980
+  321TYR    HB1 4537  -2.335  -0.905   0.910
+  321TYR    HB2 4538  -2.329  -0.846   1.079
+  321TYR     CG 4539  -2.343  -0.694   0.929
+  321TYR    CD1 4540  -2.327  -0.670   0.791
+  321TYR    HD1 4541  -2.337  -0.752   0.721
+  321TYR    CE1 4542  -2.303  -0.540   0.744
+  321TYR    HE1 4543  -2.293  -0.522   0.638
+  321TYR     CZ 4544  -2.292  -0.435   0.835
+  321TYR     OH 4545  -2.270  -0.301   0.795
+  321TYR     HH 4546  -2.209  -0.264   0.859
+  321TYR    CD2 4547  -2.328  -0.588   1.019
+  321TYR    HD2 4548  -2.338  -0.605   1.125
+  321TYR    CE2 4549  -2.301  -0.459   0.972
+  321TYR    HE2 4550  -2.289  -0.378   1.042
+  321TYR      C 4551  -2.610  -0.812   0.870
+  321TYR      O 4552  -2.629  -0.889   0.774
+  322SER      N 4553  -2.654  -0.687   0.868
+  322SER     HN 4554  -2.632  -0.627   0.944
+  322SER     CA 4555  -2.707  -0.620   0.751
+  322SER     HA 4556  -2.659  -0.658   0.662
+  322SER     CB 4557  -2.861  -0.629   0.739
+  322SER    HB1 4558  -2.910  -0.580   0.826
+  322SER    HB2 4559  -2.891  -0.736   0.739
+  322SER     OG 4560  -2.907  -0.568   0.618
+  322SER    HG1 4561  -2.932  -0.641   0.559
+  322SER      C 4562  -2.666  -0.476   0.774
+  322SER      O 4563  -2.669  -0.428   0.885
+  323GLY      N 4564  -2.621  -0.408   0.665
+  323GLY     HN 4565  -2.607  -0.456   0.579
+  323GLY     CA 4566  -2.578  -0.269   0.673
+  323GLY    HA1 4567  -2.533  -0.250   0.769
+  323GLY    HA2 4568  -2.663  -0.206   0.651
+  323GLY      C 4569  -2.474  -0.240   0.569
+  323GLY      O 4570  -2.440  -0.326   0.486
+  324ASN      N 4571  -2.423  -0.116   0.567
+  324ASN     HN 4572  -2.457  -0.048   0.632
+  324ASN     CA 4573  -2.320  -0.069   0.475
+  324ASN     HA 4574  -2.280  -0.153   0.419
+  324ASN     CB 4575  -2.383   0.030   0.374
+  324ASN    HB1 4576  -2.454  -0.027   0.311
+  324ASN    HB2 4577  -2.304   0.071   0.308
+  324ASN     CG 4578  -2.458   0.147   0.438
+  324ASN    OD1 4579  -2.446   0.184   0.556
+  324ASN    ND2 4580  -2.547   0.209   0.357
+  324ASN   HD21 4581  -2.554   0.177   0.263
+  324ASN   HD22 4582  -2.605   0.279   0.397
+  324ASN      C 4583  -2.203  -0.005   0.547
+  324ASN      O 4584  -2.129   0.079   0.491
+  325GLU      N 4585  -2.183  -0.039   0.674
+  325GLU     HN 4586  -2.236  -0.116   0.712
+  325GLU     CA 4587  -2.086   0.022   0.762
+  325GLU     HA 4588  -2.027   0.094   0.708
+  325GLU     CB 4589  -2.157   0.091   0.881
+  325GLU    HB1 4590  -2.229   0.019   0.924
+  325GLU    HB2 4591  -2.216   0.176   0.839
+  325GLU     CG 4592  -2.066   0.142   0.996
+  325GLU    HG1 4593  -1.990   0.214   0.959
+  325GLU    HG2 4594  -2.012   0.058   1.042
+  325GLU     CD 4595  -2.150   0.210   1.104
+  325GLU    OE1 4596  -2.157   0.154   1.216
+  325GLU    OE2 4597  -2.214   0.316   1.075
+  325GLU      C 4598  -1.990  -0.084   0.814
+  325GLU      O 4599  -2.032  -0.183   0.871
+  326LEU      N 4600  -1.858  -0.061   0.794
+  326LEU     HN 4601  -1.824   0.022   0.752
+  326LEU     CA 4602  -1.755  -0.149   0.846
+  326LEU     HA 4603  -1.786  -0.252   0.830
+  326LEU     CB 4604  -1.622  -0.125   0.771
+  326LEU    HB1 4605  -1.576  -0.029   0.803
+  326LEU    HB2 4606  -1.648  -0.114   0.663
+  326LEU     CG 4607  -1.517  -0.238   0.777
+  326LEU     HG 4608  -1.567  -0.335   0.753
+  326LEU    CD1 4609  -1.410  -0.215   0.668
+  326LEU   HD11 4610  -1.353  -0.122   0.687
+  326LEU   HD12 4611  -1.457  -0.208   0.567
+  326LEU   HD13 4612  -1.339  -0.300   0.666
+  326LEU    CD2 4613  -1.448  -0.253   0.914
+  326LEU   HD21 4614  -1.520  -0.282   0.992
+  326LEU   HD22 4615  -1.398  -0.158   0.943
+  326LEU   HD23 4616  -1.371  -0.333   0.907
+  326LEU      C 4617  -1.745  -0.123   0.996
+  326LEU      O 4618  -1.704  -0.016   1.042
+  327ASN      N 4619  -1.787  -0.222   1.076
+  327ASN     HN 4620  -1.818  -0.308   1.037
+  327ASN     CA 4621  -1.801  -0.209   1.219
+  327ASN     HA 4622  -1.723  -0.145   1.255
+  327ASN     CB 4623  -1.939  -0.148   1.262
+  327ASN    HB1 4624  -1.943  -0.044   1.222
+  327ASN    HB2 4625  -1.945  -0.142   1.372
+  327ASN     CG 4626  -2.062  -0.224   1.212
+  327ASN    OD1 4627  -2.059  -0.341   1.176
+  327ASN    ND2 4628  -2.177  -0.152   1.214
+  327ASN   HD21 4629  -2.175  -0.055   1.234
+  327ASN   HD22 4630  -2.261  -0.200   1.186
+  327ASN      C 4631  -1.775  -0.346   1.279
+  327ASN      O 4632  -1.757  -0.445   1.207
+  328ASP      N 4633  -1.770  -0.358   1.413
+  328ASP     HN 4634  -1.779  -0.279   1.473
+  328ASP     CA 4635  -1.741  -0.483   1.481
+  328ASP     HA 4636  -1.644  -0.517   1.446
+  328ASP     CB 4637  -1.735  -0.461   1.635
+  328ASP    HB1 4638  -1.719  -0.559   1.686
+  328ASP    HB2 4639  -1.831  -0.418   1.670
+  328ASP     CG 4640  -1.622  -0.368   1.677
+  328ASP    OD1 4641  -1.504  -0.414   1.681
+  328ASP    OD2 4642  -1.653  -0.250   1.706
+  328ASP      C 4643  -1.841  -0.594   1.448
+  328ASP      O 4644  -1.801  -0.711   1.432
+  329ASP      N 4645  -1.972  -0.561   1.434
+  329ASP     HN 4646  -2.002  -0.468   1.449
+  329ASP     CA 4647  -2.076  -0.654   1.393
+  329ASP     HA 4648  -2.073  -0.737   1.462
+  329ASP     CB 4649  -2.220  -0.590   1.397
+  329ASP    HB1 4650  -2.292  -0.662   1.352
+  329ASP    HB2 4651  -2.221  -0.497   1.337
+  329ASP     CG 4652  -2.276  -0.559   1.536
+  329ASP    OD1 4653  -2.211  -0.596   1.638
+  329ASP    OD2 4654  -2.389  -0.504   1.543
+  329ASP      C 4655  -2.050  -0.712   1.255
+  329ASP      O 4656  -2.065  -0.835   1.236
+  330TYR      N 4657  -2.009  -0.632   1.155
+  330TYR     HN 4658  -2.001  -0.532   1.170
+  330TYR     CA 4659  -1.967  -0.678   1.023
+  330TYR     HA 4660  -2.049  -0.736   0.981
+  330TYR     CB 4661  -1.938  -0.558   0.927
+  330TYR    HB1 4662  -1.870  -0.487   0.977
+  330TYR    HB2 4663  -2.032  -0.503   0.904
+  330TYR     CG 4664  -1.875  -0.600   0.796
+  330TYR    CD1 4665  -1.949  -0.670   0.699
+  330TYR    HD1 4666  -2.054  -0.688   0.715
+  330TYR    CE1 4667  -1.887  -0.720   0.584
+  330TYR    HE1 4668  -1.944  -0.776   0.511
+  330TYR     CZ 4669  -1.750  -0.703   0.565
+  330TYR     OH 4670  -1.687  -0.758   0.452
+  330TYR     HH 4671  -1.592  -0.771   0.469
+  330TYR    CD2 4672  -1.738  -0.579   0.773
+  330TYR    HD2 4673  -1.678  -0.527   0.846
+  330TYR    CE2 4674  -1.675  -0.631   0.659
+  330TYR    HE2 4675  -1.568  -0.620   0.644
+  330TYR      C 4676  -1.849  -0.774   1.029
+  330TYR      O 4677  -1.853  -0.883   0.974
+  331CYS      N 4678  -1.742  -0.736   1.102
+  331CYS     HN 4679  -1.742  -0.648   1.148
+  331CYS     CA 4680  -1.619  -0.815   1.108
+  331CYS     HA 4681  -1.591  -0.840   1.007
+  331CYS     CB 4682  -1.506  -0.734   1.175
+  331CYS    HB1 4683  -1.413  -0.795   1.176
+  331CYS    HB2 4684  -1.535  -0.710   1.280
+  331CYS     SG 4685  -1.474  -0.579   1.087
+  331CYS      C 4686  -1.638  -0.945   1.181
+  331CYS      O 4687  -1.584  -1.051   1.141
+  332THR      N 4688  -1.718  -0.946   1.287
+  332THR     HN 4689  -1.761  -0.859   1.315
+  332THR     CA 4690  -1.757  -1.067   1.360
+  332THR     HA 4691  -1.666  -1.118   1.390
+  332THR     CB 4692  -1.841  -1.035   1.484
+  332THR     HB 4693  -1.936  -0.985   1.454
+  332THR    OG1 4694  -1.771  -0.947   1.572
+  332THR    HG1 4695  -1.764  -0.863   1.523
+  332THR    CG2 4696  -1.872  -1.163   1.564
+  332THR   HG21 4697  -1.777  -1.211   1.595
+  332THR   HG22 4698  -1.929  -1.235   1.503
+  332THR   HG23 4699  -1.930  -1.138   1.655
+  332THR      C 4700  -1.837  -1.161   1.272
+  332THR      O 4701  -1.816  -1.284   1.271
+  333ALA      N 4702  -1.931  -1.107   1.194
+  333ALA     HN 4703  -1.946  -1.008   1.193
+  333ALA     CA 4704  -2.007  -1.182   1.095
+  333ALA     HA 4705  -2.053  -1.265   1.145
+  333ALA     CB 4706  -2.116  -1.092   1.033
+  333ALA    HB1 4707  -2.071  -1.005   0.980
+  333ALA    HB2 4708  -2.183  -1.052   1.113
+  333ALA    HB3 4709  -2.177  -1.149   0.960
+  333ALA      C 4710  -1.921  -1.237   0.984
+  333ALA      O 4711  -1.937  -1.357   0.946
+  334GLU      N 4712  -1.826  -1.161   0.931
+  334GLU     HN 4713  -1.816  -1.064   0.959
+  334GLU     CA 4714  -1.736  -1.202   0.826
+  334GLU     HA 4715  -1.795  -1.236   0.743
+  334GLU     CB 4716  -1.650  -1.083   0.780
+  334GLU    HB1 4717  -1.584  -1.048   0.861
+  334GLU    HB2 4718  -1.717  -0.998   0.753
+  334GLU     CG 4719  -1.565  -1.119   0.655
+  334GLU    HG1 4720  -1.633  -1.148   0.573
+  334GLU    HG2 4721  -1.494  -1.201   0.674
+  334GLU     CD 4722  -1.485  -0.999   0.606
+  334GLU    OE1 4723  -1.466  -0.903   0.680
+  334GLU    OE2 4724  -1.446  -1.010   0.484
+  334GLU      C 4725  -1.648  -1.320   0.865
+  334GLU      O 4726  -1.639  -1.419   0.794
+  335GLU      N 4727  -1.589  -1.316   0.987
+  335GLU     HN 4728  -1.594  -1.233   1.042
+  335GLU     CA 4729  -1.513  -1.428   1.043
+  335GLU     HA 4730  -1.435  -1.453   0.972
+  335GLU     CB 4731  -1.448  -1.390   1.178
+  335GLU    HB1 4732  -1.406  -1.482   1.225
+  335GLU    HB2 4733  -1.526  -1.348   1.246
+  335GLU     CG 4734  -1.330  -1.288   1.168
+  335GLU    HG1 4735  -1.367  -1.193   1.126
+  335GLU    HG2 4736  -1.252  -1.327   1.101
+  335GLU     CD 4737  -1.271  -1.260   1.307
+  335GLU    OE1 4738  -1.346  -1.257   1.404
+  335GLU    OE2 4739  -1.144  -1.242   1.319
+  335GLU      C 4740  -1.599  -1.553   1.062
+  335GLU      O 4741  -1.554  -1.668   1.045
+  336ALA      N 4742  -1.725  -1.539   1.103
+  336ALA     HN 4743  -1.762  -1.447   1.119
+  336ALA     CA 4744  -1.818  -1.651   1.110
+  336ALA     HA 4745  -1.771  -1.729   1.167
+  336ALA     CB 4746  -1.946  -1.607   1.184
+  336ALA    HB1 4747  -2.002  -1.532   1.123
+  336ALA    HB2 4748  -1.920  -1.560   1.281
+  336ALA    HB3 4749  -2.012  -1.694   1.202
+  336ALA      C 4750  -1.853  -1.713   0.976
+  336ALA      O 4751  -1.860  -1.838   0.966
+  337GLU      N 4752  -1.876  -1.634   0.872
+  337GLU     HN 4753  -1.869  -1.534   0.883
+  337GLU     CA 4754  -1.927  -1.680   0.744
+  337GLU     HA 4755  -1.989  -1.767   0.761
+  337GLU     CB 4756  -2.013  -1.570   0.678
+  337GLU    HB1 4757  -2.039  -1.598   0.574
+  337GLU    HB2 4758  -1.953  -1.476   0.674
+  337GLU     CG 4759  -2.146  -1.540   0.753
+  337GLU    HG1 4760  -2.194  -1.453   0.705
+  337GLU    HG2 4761  -2.125  -1.513   0.859
+  337GLU     CD 4762  -2.247  -1.655   0.753
+  337GLU    OE1 4763  -2.296  -1.689   0.640
+  337GLU    OE2 4764  -2.281  -1.709   0.860
+  337GLU      C 4765  -1.816  -1.721   0.649
+  337GLU      O 4766  -1.829  -1.825   0.580
+  338PHE      N 4767  -1.706  -1.646   0.642
+  338PHE     HN 4768  -1.696  -1.562   0.699
+  338PHE     CA 4769  -1.595  -1.668   0.549
+  338PHE     HA 4770  -1.625  -1.737   0.471
+  338PHE     CB 4771  -1.544  -1.535   0.486
+  338PHE    HB1 4772  -1.459  -1.557   0.418
+  338PHE    HB2 4773  -1.509  -1.466   0.566
+  338PHE     CG 4774  -1.644  -1.458   0.401
+  338PHE    CD1 4775  -1.766  -1.511   0.356
+  338PHE    HD1 4776  -1.796  -1.610   0.384
+  338PHE    CE1 4777  -1.850  -1.435   0.273
+  338PHE    HE1 4778  -1.945  -1.476   0.241
+  338PHE     CZ 4779  -1.812  -1.306   0.234
+  338PHE     HZ 4780  -1.876  -1.248   0.169
+  338PHE    CD2 4781  -1.608  -1.328   0.362
+  338PHE    HD2 4782  -1.515  -1.285   0.397
+  338PHE    CE2 4783  -1.691  -1.253   0.278
+  338PHE    HE2 4784  -1.661  -1.153   0.251
+  338PHE      C 4785  -1.478  -1.730   0.621
+  338PHE      O 4786  -1.375  -1.764   0.558
+  339GLY      N 4787  -1.487  -1.753   0.752
+  339GLY     HN 4788  -1.566  -1.717   0.803
+  339GLY     CA 4789  -1.380  -1.811   0.831
+  339GLY    HA1 4790  -1.336  -1.892   0.774
+  339GLY    HA2 4791  -1.423  -1.844   0.924
+  339GLY      C 4792  -1.268  -1.718   0.865
+  339GLY      O 4793  -1.260  -1.603   0.822
+  340GLY      N 4794  -1.175  -1.769   0.948
+  340GLY     HN 4795  -1.192  -1.860   0.986
+  340GLY     CA 4796  -1.063  -1.694   1.001
+  340GLY    HA1 4797  -1.044  -1.606   0.941
+  340GLY    HA2 4798  -0.979  -1.761   1.006
+  340GLY      C 4799  -1.088  -1.648   1.142
+  340GLY      O 4800  -1.190  -1.678   1.205
+  341SER      N 4801  -0.989  -1.578   1.197
+  341SER     HN 4802  -0.909  -1.555   1.142
+  341SER     CA 4803  -0.995  -1.529   1.333
+  341SER     HA 4804  -1.088  -1.475   1.345
+  341SER     CB 4805  -0.985  -1.642   1.441
+  341SER    HB1 4806  -1.069  -1.712   1.423
+  341SER    HB2 4807  -0.997  -1.597   1.542
+  341SER     OG 4808  -0.863  -1.717   1.437
+  341SER    HG1 4809  -0.791  -1.652   1.443
+  341SER      C 4810  -0.884  -1.431   1.362
+  341SER      O 4811  -0.873  -1.378   1.472
+  342SER      N 4812  -0.795  -1.403   1.265
+  342SER     HN 4813  -0.802  -1.438   1.171
+  342SER     CA 4814  -0.680  -1.317   1.282
+  342SER     HA 4815  -0.625  -1.357   1.366
+  342SER     CB 4816  -0.586  -1.324   1.160
+  342SER    HB1 4817  -0.539  -1.425   1.161
+  342SER    HB2 4818  -0.505  -1.248   1.165
+  342SER     OG 4819  -0.658  -1.311   1.038
+  342SER    HG1 4820  -0.655  -1.215   1.015
+  342SER      C 4821  -0.714  -1.174   1.322
+  342SER      O 4822  -0.646  -1.117   1.408
+  343PHE      N 4823  -0.821  -1.115   1.265
+  343PHE     HN 4824  -0.875  -1.163   1.196
+  343PHE     CA 4825  -0.869  -0.982   1.300
+  343PHE     HA 4826  -0.786  -0.914   1.289
+  343PHE     CB 4827  -0.984  -0.940   1.203
+  343PHE    HB1 4828  -1.071  -1.007   1.214
+  343PHE    HB2 4829  -0.946  -0.950   1.099
+  343PHE     CG 4830  -1.028  -0.796   1.221
+  343PHE    CD1 4831  -0.956  -0.693   1.159
+  343PHE    HD1 4832  -0.866  -0.718   1.104
+  343PHE    CE1 4833  -0.999  -0.560   1.164
+  343PHE    HE1 4834  -0.943  -0.484   1.113
+  343PHE     CZ 4835  -1.117  -0.529   1.232
+  343PHE     HZ 4836  -1.152  -0.427   1.232
+  343PHE    CD2 4837  -1.148  -0.763   1.288
+  343PHE    HD2 4838  -1.207  -0.842   1.332
+  343PHE    CE2 4839  -1.192  -0.630   1.293
+  343PHE    HE2 4840  -1.285  -0.605   1.341
+  343PHE      C 4841  -0.913  -0.973   1.446
+  343PHE      O 4842  -0.874  -0.883   1.522
+  344SER      N 4843  -0.993  -1.071   1.493
+  344SER     HN 4844  -1.027  -1.142   1.429
+  344SER     CA 4845  -1.036  -1.081   1.632
+  344SER     HA 4846  -1.071  -0.982   1.659
+  344SER     CB 4847  -1.155  -1.176   1.655
+  344SER    HB1 4848  -1.242  -1.137   1.597
+  344SER    HB2 4849  -1.184  -1.177   1.762
+  344SER     OG 4850  -1.129  -1.309   1.611
+  344SER    HG1 4851  -1.137  -1.303   1.513
+  344SER      C 4852  -0.925  -1.112   1.731
+  344SER      O 4853  -0.923  -1.057   1.842
+  345ASP      N 4854  -0.827  -1.198   1.692
+  345ASP     HN 4855  -0.838  -1.245   1.603
+  345ASP     CA 4856  -0.707  -1.233   1.767
+  345ASP     HA 4857  -0.739  -1.275   1.862
+  345ASP     CB 4858  -0.617  -1.337   1.691
+  345ASP    HB1 4859  -0.520  -1.346   1.744
+  345ASP    HB2 4860  -0.598  -1.298   1.589
+  345ASP     CG 4861  -0.671  -1.479   1.680
+  345ASP    OD1 4862  -0.764  -1.519   1.753
+  345ASP    OD2 4863  -0.605  -1.558   1.604
+  345ASP      C 4864  -0.622  -1.110   1.798
+  345ASP      O 4865  -0.565  -1.095   1.907
+  346LYS      N 4866  -0.613  -1.016   1.702
+  346LYS     HN 4867  -0.658  -1.031   1.614
+  346LYS     CA 4868  -0.534  -0.894   1.715
+  346LYS     HA 4869  -0.456  -0.909   1.788
+  346LYS     CB 4870  -0.464  -0.858   1.581
+  346LYS    HB1 4871  -0.444  -0.749   1.574
+  346LYS    HB2 4872  -0.533  -0.883   1.497
+  346LYS     CG 4873  -0.329  -0.928   1.560
+  346LYS    HG1 4874  -0.259  -0.892   1.639
+  346LYS    HG2 4875  -0.288  -0.894   1.462
+  346LYS     CD 4876  -0.333  -1.082   1.561
+  346LYS    HD1 4877  -0.402  -1.115   1.481
+  346LYS    HD2 4878  -0.374  -1.116   1.659
+  346LYS     CE 4879  -0.194  -1.143   1.541
+  346LYS    HE1 4880  -0.127  -1.114   1.625
+  346LYS    HE2 4881  -0.149  -1.108   1.447
+  346LYS     NZ 4882  -0.201  -1.290   1.537
+  346LYS    HZ1 4883  -0.264  -1.323   1.460
+  346LYS    HZ2 4884  -0.240  -1.326   1.625
+  346LYS    HZ3 4885  -0.105  -1.328   1.520
+  346LYS      C 4886  -0.615  -0.778   1.769
+  346LYS      O 4887  -0.568  -0.665   1.780
+  347GLY      N 4888  -0.740  -0.805   1.812
+  347GLY     HN 4889  -0.776  -0.897   1.797
+  347GLY     CA 4890  -0.816  -0.714   1.898
+  347GLY    HA1 4891  -0.749  -0.648   1.949
+  347GLY    HA2 4892  -0.872  -0.776   1.965
+  347GLY      C 4893  -0.915  -0.629   1.824
+  347GLY      O 4894  -0.972  -0.536   1.881
+  348GLY      N 4895  -0.940  -0.661   1.695
+  348GLY     HN 4896  -0.889  -0.738   1.653
+  348GLY     CA 4897  -1.033  -0.595   1.604
+  348GLY    HA1 4898  -1.133  -0.622   1.636
+  348GLY    HA2 4899  -1.009  -0.632   1.505
+  348GLY      C 4900  -1.026  -0.445   1.597
+  348GLY      O 4901  -0.918  -0.383   1.613
+  349LEU      N 4902  -1.139  -0.377   1.576
+  349LEU     HN 4903  -1.227  -0.424   1.566
+  349LEU     CA 4904  -1.144  -0.232   1.558
+  349LEU     HA 4905  -1.073  -0.207   1.481
+  349LEU     CB 4906  -1.284  -0.184   1.514
+  349LEU    HB1 4907  -1.289  -0.072   1.516
+  349LEU    HB2 4908  -1.360  -0.222   1.585
+  349LEU     CG 4909  -1.325  -0.226   1.371
+  349LEU     HG 4910  -1.319  -0.337   1.363
+  349LEU    CD1 4911  -1.470  -0.185   1.346
+  349LEU   HD11 4912  -1.480  -0.074   1.348
+  349LEU   HD12 4913  -1.536  -0.228   1.424
+  349LEU   HD13 4914  -1.503  -0.222   1.246
+  349LEU    CD2 4915  -1.235  -0.163   1.264
+  349LEU   HD21 4916  -1.129  -0.196   1.274
+  349LEU   HD22 4917  -1.239  -0.052   1.269
+  349LEU   HD23 4918  -1.270  -0.194   1.163
+  349LEU      C 4919  -1.103  -0.157   1.683
+  349LEU      O 4920  -1.052  -0.044   1.677
+  350THR      N 4921  -1.122  -0.216   1.801
+  350THR     HN 4922  -1.160  -0.308   1.799
+  350THR     CA 4923  -1.076  -0.159   1.927
+  350THR     HA 4924  -1.116  -0.059   1.933
+  350THR     CB 4925  -1.128  -0.238   2.046
+  350THR     HB 4926  -1.111  -0.347   2.027
+  350THR    OG1 4927  -1.267  -0.211   2.061
+  350THR    HG1 4928  -1.311  -0.247   1.982
+  350THR    CG2 4929  -1.063  -0.200   2.180
+  350THR   HG21 4930  -1.072  -0.091   2.198
+  350THR   HG22 4931  -0.956  -0.227   2.183
+  350THR   HG23 4932  -1.113  -0.255   2.262
+  350THR      C 4933  -0.927  -0.142   1.938
+  350THR      O 4934  -0.878  -0.036   1.981
+  351GLN      N 4935  -0.849  -0.243   1.898
+  351GLN     HN 4936  -0.889  -0.329   1.863
+  351GLN     CA 4937  -0.705  -0.232   1.887
+  351GLN     HA 4938  -0.668  -0.190   1.979
+  351GLN     CB 4939  -0.639  -0.370   1.862
+  351GLN    HB1 4940  -0.682  -0.415   1.770
+  351GLN    HB2 4941  -0.667  -0.437   1.946
+  351GLN     CG 4942  -0.485  -0.367   1.850
+  351GLN    HG1 4943  -0.456  -0.311   1.758
+  351GLN    HG2 4944  -0.446  -0.470   1.839
+  351GLN     CD 4945  -0.417  -0.303   1.972
+  351GLN    OE1 4946  -0.469  -0.286   2.080
+  351GLN    NE2 4947  -0.287  -0.268   1.951
+  351GLN   HE21 4948  -0.245  -0.291   1.863
+  351GLN   HE22 4949  -0.233  -0.241   2.030
+  351GLN      C 4950  -0.663  -0.138   1.776
+  351GLN      O 4951  -0.574  -0.052   1.794
+  352PHE      N 4952  -0.730  -0.147   1.661
+  352PHE     HN 4953  -0.801  -0.218   1.652
+  352PHE     CA 4954  -0.706  -0.071   1.541
+  352PHE     HA 4955  -0.603  -0.088   1.513
+  352PHE     CB 4956  -0.802  -0.121   1.430
+  352PHE    HB1 4957  -0.906  -0.095   1.455
+  352PHE    HB2 4958  -0.794  -0.231   1.416
+  352PHE     CG 4959  -0.766  -0.056   1.301
+  352PHE    CD1 4960  -0.639  -0.082   1.246
+  352PHE    HD1 4961  -0.573  -0.153   1.293
+  352PHE    CE1 4962  -0.596  -0.013   1.133
+  352PHE    HE1 4963  -0.498  -0.032   1.093
+  352PHE     CZ 4964  -0.680   0.080   1.072
+  352PHE     HZ 4965  -0.647   0.131   0.984
+  352PHE    CD2 4966  -0.851   0.037   1.238
+  352PHE    HD2 4967  -0.948   0.057   1.280
+  352PHE    CE2 4968  -0.808   0.105   1.124
+  352PHE    HE2 4969  -0.873   0.177   1.076
+  352PHE      C 4970  -0.722   0.079   1.564
+  352PHE      O 4971  -0.646   0.163   1.512
+  353LYS      N 4972  -0.818   0.118   1.648
+  353LYS     HN 4973  -0.877   0.047   1.687
+  353LYS     CA 4974  -0.853   0.255   1.681
+  353LYS     HA 4975  -0.881   0.303   1.589
+  353LYS     CB 4976  -0.974   0.252   1.777
+  353LYS    HB1 4977  -0.949   0.190   1.865
+  353LYS    HB2 4978  -1.057   0.202   1.722
+  353LYS     CG 4979  -1.023   0.390   1.824
+  353LYS    HG1 4980  -1.042   0.454   1.735
+  353LYS    HG2 4981  -0.946   0.439   1.887
+  353LYS     CD 4982  -1.152   0.375   1.906
+  353LYS    HD1 4983  -1.127   0.315   1.997
+  353LYS    HD2 4984  -1.225   0.317   1.845
+  353LYS     CE 4985  -1.214   0.508   1.946
+  353LYS    HE1 4986  -1.250   0.562   1.856
+  353LYS    HE2 4987  -1.140   0.572   1.998
+  353LYS     NZ 4988  -1.329   0.484   2.036
+  353LYS    HZ1 4989  -1.298   0.443   2.127
+  353LYS    HZ2 4990  -1.394   0.418   1.988
+  353LYS    HZ3 4991  -1.378   0.574   2.052
+  353LYS      C 4992  -0.738   0.335   1.741
+  353LYS      O 4993  -0.729   0.458   1.726
+  354LYS      N 4994  -0.646   0.267   1.811
+  354LYS     HN 4995  -0.655   0.168   1.818
+  354LYS     CA 4996  -0.521   0.323   1.860
+  354LYS     HA 4997  -0.546   0.408   1.921
+  354LYS     CB 4998  -0.444   0.219   1.944
+  354LYS    HB1 4999  -0.351   0.266   1.984
+  354LYS    HB2 5000  -0.414   0.135   1.878
+  354LYS     CG 5001  -0.525   0.162   2.061
+  354LYS    HG1 5002  -0.620   0.117   2.022
+  354LYS    HG2 5003  -0.553   0.243   2.131
+  354LYS     CD 5004  -0.448   0.051   2.134
+  354LYS    HD1 5005  -0.354   0.094   2.175
+  354LYS    HD2 5006  -0.420  -0.025   2.058
+  354LYS     CE 5007  -0.529  -0.015   2.246
+  354LYS    HE1 5008  -0.624  -0.055   2.205
+  354LYS    HE2 5009  -0.551   0.059   2.326
+  354LYS     NZ 5010  -0.453  -0.128   2.305
+  354LYS    HZ1 5011  -0.355  -0.097   2.329
+  354LYS    HZ2 5012  -0.445  -0.203   2.232
+  354LYS    HZ3 5013  -0.499  -0.168   2.389
+  354LYS      C 5014  -0.431   0.373   1.748
+  354LYS      O 5015  -0.373   0.483   1.759
+  355ALA      N 5016  -0.419   0.299   1.637
+  355ALA     HN 5017  -0.472   0.214   1.625
+  355ALA     CA 5018  -0.344   0.337   1.518
+  355ALA     HA 5019  -0.242   0.359   1.548
+  355ALA     CB 5020  -0.343   0.223   1.415
+  355ALA    HB1 5021  -0.444   0.204   1.373
+  355ALA    HB2 5022  -0.307   0.129   1.462
+  355ALA    HB3 5023  -0.275   0.247   1.331
+  355ALA      C 5024  -0.399   0.464   1.455
+  355ALA      O 5025  -0.325   0.558   1.425
+  356THR      N 5026  -0.532   0.474   1.442
+  356THR     HN 5027  -0.591   0.396   1.466
+  356THR     CA 5028  -0.598   0.590   1.383
+  356THR     HA 5029  -0.539   0.620   1.297
+  356THR     CB 5030  -0.740   0.561   1.335
+  356THR     HB 5031  -0.789   0.654   1.297
+  356THR    OG1 5032  -0.821   0.504   1.437
+  356THR    HG1 5033  -0.818   0.563   1.513
+  356THR    CG2 5034  -0.734   0.461   1.219
+  356THR   HG21 5035  -0.690   0.364   1.252
+  356THR   HG22 5036  -0.672   0.500   1.136
+  356THR   HG23 5037  -0.836   0.440   1.180
+  356THR      C 5038  -0.602   0.709   1.476
+  356THR      O 5039  -0.626   0.823   1.433
+  357SER      N 5040  -0.582   0.687   1.607
+  357SER     HN 5041  -0.570   0.593   1.638
+  357SER     CA 5042  -0.569   0.793   1.708
+  357SER     HA 5043  -0.638   0.872   1.685
+  357SER     CB 5044  -0.593   0.744   1.853
+  357SER    HB1 5045  -0.582   0.829   1.924
+  357SER    HB2 5046  -0.519   0.665   1.880
+  357SER     OG 5047  -0.725   0.691   1.868
+  357SER    HG1 5048  -0.729   0.610   1.814
+  357SER      C 5049  -0.430   0.852   1.709
+  357SER      O 5050  -0.409   0.966   1.755
+  358GLY      N 5051  -0.330   0.776   1.661
+  358GLY     HN 5052  -0.350   0.684   1.628
+  358GLY     CA 5053  -0.194   0.822   1.638
+  358GLY    HA1 5054  -0.130   0.736   1.643
+  358GLY    HA2 5055  -0.169   0.899   1.710
+  358GLY      C 5056  -0.176   0.884   1.502
+  358GLY      O 5057  -0.272   0.931   1.439
+  359GLY      N 5058  -0.051   0.888   1.455
+  359GLY     HN 5059   0.025   0.854   1.509
+  359GLY     CA 5060  -0.018   0.928   1.319
+  359GLY    HA1 5061   0.078   0.978   1.322
+  359GLY    HA2 5062  -0.096   0.989   1.277
+  359GLY      C 5063  -0.000   0.806   1.234
+  359GLY      O 5064   0.037   0.700   1.279
+  360MET      N 5065  -0.029   0.824   1.104
+  360MET     HN 5066  -0.065   0.910   1.069
+  360MET     CA 5067  -0.005   0.723   1.004
+  360MET     HA 5068   0.078   0.661   1.035
+  360MET     CB 5069  -0.131   0.637   0.976
+  360MET    HB1 5070  -0.100   0.554   0.908
+  360MET    HB2 5071  -0.208   0.699   0.924
+  360MET     CG 5072  -0.198   0.575   1.101
+  360MET    HG1 5073  -0.233   0.658   1.166
+  360MET    HG2 5074  -0.121   0.520   1.158
+  360MET     SD 5075  -0.340   0.465   1.066
+  360MET     CE 5076  -0.248   0.319   1.010
+  360MET    HE1 5077  -0.182   0.279   1.090
+  360MET    HE2 5078  -0.184   0.342   0.923
+  360MET    HE3 5079  -0.317   0.237   0.980
+  360MET      C 5080   0.037   0.797   0.879
+  360MET      O 5081  -0.017   0.904   0.846
+  361VAL      N 5082   0.136   0.742   0.807
+  361VAL     HN 5083   0.174   0.654   0.836
+  361VAL     CA 5084   0.196   0.800   0.689
+  361VAL     HA 5085   0.188   0.908   0.694
+  361VAL     CB 5086   0.343   0.762   0.678
+  361VAL     HB 5087   0.354   0.651   0.686
+  361VAL    CG1 5088   0.406   0.808   0.544
+  361VAL   HG11 5089   0.388   0.916   0.527
+  361VAL   HG12 5090   0.364   0.750   0.459
+  361VAL   HG13 5091   0.516   0.789   0.546
+  361VAL    CG2 5092   0.418   0.827   0.797
+  361VAL   HG21 5093   0.382   0.788   0.894
+  361VAL   HG22 5094   0.403   0.937   0.798
+  361VAL   HG23 5095   0.527   0.806   0.791
+  361VAL      C 5096   0.119   0.753   0.567
+  361VAL      O 5097   0.093   0.634   0.550
+  362LEU      N 5098   0.076   0.847   0.480
+  362LEU     HN 5099   0.094   0.943   0.500
+  362LEU     CA 5100   0.013   0.816   0.353
+  362LEU     HA 5101  -0.067   0.746   0.372
+  362LEU     CB 5102  -0.045   0.944   0.287
+  362LEU    HB1 5103   0.038   1.017   0.275
+  362LEU    HB2 5104  -0.119   0.989   0.357
+  362LEU     CG 5105  -0.113   0.927   0.149
+  362LEU     HG 5106  -0.039   0.884   0.077
+  362LEU    CD1 5107  -0.233   0.832   0.154
+  362LEU   HD11 5108  -0.310   0.869   0.225
+  362LEU   HD12 5109  -0.203   0.730   0.185
+  362LEU   HD13 5110  -0.279   0.824   0.053
+  362LEU    CD2 5111  -0.158   1.062   0.093
+  362LEU   HD21 5112  -0.071   1.129   0.079
+  362LEU   HD22 5113  -0.231   1.110   0.162
+  362LEU   HD23 5114  -0.207   1.047  -0.006
+  362LEU      C 5115   0.108   0.749   0.255
+  362LEU      O 5116   0.218   0.798   0.229
+  363VAL      N 5117   0.063   0.637   0.196
+  363VAL     HN 5118  -0.026   0.598   0.220
+  363VAL     CA 5119   0.136   0.558   0.100
+  363VAL     HA 5120   0.229   0.608   0.076
+  363VAL     CB 5121   0.166   0.417   0.148
+  363VAL     HB 5122   0.074   0.354   0.145
+  363VAL    CG1 5123   0.274   0.353   0.058
+  363VAL   HG11 5124   0.361   0.421   0.046
+  363VAL   HG12 5125   0.233   0.328  -0.042
+  363VAL   HG13 5126   0.310   0.259   0.104
+  363VAL    CG2 5127   0.212   0.418   0.295
+  363VAL   HG21 5128   0.128   0.446   0.362
+  363VAL   HG22 5129   0.296   0.488   0.312
+  363VAL   HG23 5130   0.245   0.316   0.324
+  363VAL      C 5131   0.052   0.552  -0.025
+  363VAL      O 5132  -0.072   0.545  -0.020
+  364MET      N 5133   0.115   0.556  -0.143
+  364MET     HN 5134   0.215   0.564  -0.145
+  364MET     CA 5135   0.048   0.536  -0.270
+  364MET     HA 5136  -0.042   0.478  -0.255
+  364MET     CB 5137   0.015   0.669  -0.343
+  364MET    HB1 5138  -0.020   0.646  -0.447
+  364MET    HB2 5139   0.109   0.728  -0.351
+  364MET     CG 5140  -0.095   0.751  -0.274
+  364MET    HG1 5141  -0.073   0.758  -0.165
+  364MET    HG2 5142  -0.190   0.693  -0.283
+  364MET     SD 5143  -0.119   0.919  -0.338
+  364MET     CE 5144   0.027   0.991  -0.257
+  364MET    HE1 5145   0.120   0.942  -0.292
+  364MET    HE2 5146   0.022   0.977  -0.147
+  364MET    HE3 5147   0.036   1.099  -0.278
+  364MET      C 5148   0.141   0.451  -0.355
+  364MET      O 5149   0.261   0.475  -0.361
+  365SER      N 5150   0.087   0.346  -0.419
+  365SER     HN 5151  -0.011   0.324  -0.412
+  365SER     CA 5152   0.170   0.248  -0.486
+  365SER     HA 5153   0.260   0.296  -0.520
+  365SER     CB 5154   0.210   0.128  -0.394
+  365SER    HB1 5155   0.263   0.169  -0.305
+  365SER    HB2 5156   0.281   0.060  -0.446
+  365SER     OG 5157   0.097   0.053  -0.349
+  365SER    HG1 5158   0.131  -0.019  -0.292
+  365SER      C 5159   0.102   0.195  -0.609
+  365SER      O 5160  -0.016   0.221  -0.637
+  366LEU      N 5161   0.179   0.122  -0.690
+  366LEU     HN 5162   0.275   0.108  -0.668
+  366LEU     CA 5163   0.128   0.044  -0.800
+  366LEU     HA 5164   0.026   0.015  -0.781
+  366LEU     CB 5165   0.142   0.121  -0.934
+  366LEU    HB1 5166   0.248   0.153  -0.947
+  366LEU    HB2 5167   0.080   0.213  -0.926
+  366LEU     CG 5168   0.099   0.044  -1.061
+  366LEU     HG 5169   0.167  -0.044  -1.074
+  366LEU    CD1 5170  -0.045  -0.009  -1.053
+  366LEU   HD11 5171  -0.116   0.074  -1.036
+  366LEU   HD12 5172  -0.056  -0.082  -0.970
+  366LEU   HD13 5173  -0.072  -0.061  -1.147
+  366LEU    CD2 5174   0.114   0.133  -1.185
+  366LEU   HD21 5175   0.219   0.170  -1.194
+  366LEU   HD22 5176   0.047   0.221  -1.178
+  366LEU   HD23 5177   0.088   0.077  -1.277
+  366LEU      C 5178   0.215  -0.079  -0.801
+  366LEU      O 5179   0.336  -0.069  -0.791
+  367TRP      N 5180   0.153  -0.199  -0.809
+  367TRP     HN 5181   0.054  -0.208  -0.812
+  367TRP     CA 5182   0.227  -0.322  -0.796
+  367TRP     HA 5183   0.321  -0.313  -0.850
+  367TRP     CB 5184   0.257  -0.356  -0.646
+  367TRP    HB1 5185   0.318  -0.273  -0.604
+  367TRP    HB2 5186   0.321  -0.447  -0.641
+  367TRP     CG 5187   0.139  -0.376  -0.555
+  367TRP    CD1 5188   0.055  -0.279  -0.506
+  367TRP    HD1 5189   0.059  -0.174  -0.533
+  367TRP    NE1 5190  -0.033  -0.334  -0.415
+  367TRP    HE1 5191  -0.090  -0.288  -0.350
+  367TRP    CE2 5192  -0.008  -0.468  -0.404
+  367TRP    CD2 5193   0.100  -0.499  -0.489
+  367TRP    CE3 5194   0.150  -0.629  -0.491
+  367TRP    HE3 5195   0.235  -0.656  -0.551
+  367TRP    CZ3 5196   0.090  -0.725  -0.409
+  367TRP    HZ3 5197   0.128  -0.827  -0.407
+  367TRP    CZ2 5198  -0.068  -0.563  -0.322
+  367TRP    HZ2 5199  -0.147  -0.536  -0.254
+  367TRP    CH2 5200  -0.017  -0.692  -0.326
+  367TRP    HH2 5201  -0.059  -0.769  -0.261
+  367TRP      C 5202   0.151  -0.434  -0.862
+  367TRP      O 5203   0.030  -0.423  -0.889
+  368ASP      N 5204   0.220  -0.544  -0.891
+  368ASP     HN 5205   0.320  -0.551  -0.884
+  368ASP     CA 5206   0.164  -0.672  -0.927
+  368ASP     HA 5207   0.057  -0.668  -0.912
+  368ASP     CB 5208   0.190  -0.710  -1.075
+  368ASP    HB1 5209   0.148  -0.631  -1.140
+  368ASP    HB2 5210   0.138  -0.805  -1.099
+  368ASP     CG 5211   0.337  -0.726  -1.112
+  368ASP    OD1 5212   0.425  -0.680  -1.040
+  368ASP    OD2 5213   0.356  -0.783  -1.226
+  368ASP      C 5214   0.219  -0.772  -0.825
+  368ASP      O 5215   0.317  -0.751  -0.757
+  369ASP      N 5216   0.144  -0.885  -0.810
+  369ASP     HN 5217   0.068  -0.902  -0.871
+  369ASP     CA 5218   0.164  -0.977  -0.701
+  369ASP     HA 5219   0.225  -0.930  -0.624
+  369ASP     CB 5220   0.027  -1.011  -0.639
+  369ASP    HB1 5221  -0.038  -1.052  -0.719
+  369ASP    HB2 5222  -0.020  -0.918  -0.601
+  369ASP     CG 5223   0.023  -1.112  -0.526
+  369ASP    OD1 5224   0.133  -1.168  -0.488
+  369ASP    OD2 5225  -0.086  -1.148  -0.484
+  369ASP      C 5226   0.242  -1.099  -0.747
+  369ASP      O 5227   0.198  -1.177  -0.838
+  370TYR      N 5228   0.355  -1.126  -0.685
+  370TYR     HN 5229   0.378  -1.067  -0.606
+  370TYR     CA 5230   0.446  -1.235  -0.715
+  370TYR     HA 5231   0.429  -1.268  -0.817
+  370TYR     CB 5232   0.593  -1.188  -0.698
+  370TYR    HB1 5233   0.662  -1.272  -0.675
+  370TYR    HB2 5234   0.600  -1.116  -0.614
+  370TYR     CG 5235   0.645  -1.121  -0.823
+  370TYR    CD1 5236   0.619  -0.986  -0.852
+  370TYR    HD1 5237   0.553  -0.929  -0.788
+  370TYR    CE1 5238   0.675  -0.924  -0.965
+  370TYR    HE1 5239   0.652  -0.821  -0.987
+  370TYR     CZ 5240   0.760  -0.997  -1.049
+  370TYR     OH 5241   0.821  -0.934  -1.161
+  370TYR     HH 5242   0.760  -0.867  -1.197
+  370TYR    CD2 5243   0.728  -1.194  -0.911
+  370TYR    HD2 5244   0.748  -1.298  -0.892
+  370TYR    CE2 5245   0.785  -1.132  -1.023
+  370TYR    HE2 5246   0.848  -1.189  -1.090
+  370TYR      C 5247   0.422  -1.357  -0.629
+  370TYR      O 5248   0.497  -1.456  -0.637
+  371TYR      N 5249   0.318  -1.357  -0.544
+  371TYR     HN 5250   0.259  -1.274  -0.535
+  371TYR     CA 5251   0.293  -1.462  -0.447
+  371TYR     HA 5252   0.363  -1.543  -0.462
+  371TYR     CB 5253   0.308  -1.407  -0.303
+  371TYR    HB1 5254   0.271  -1.480  -0.227
+  371TYR    HB2 5255   0.251  -1.312  -0.291
+  371TYR     CG 5256   0.454  -1.381  -0.275
+  371TYR    CD1 5257   0.513  -1.260  -0.313
+  371TYR    HD1 5258   0.453  -1.186  -0.363
+  371TYR    CE1 5259   0.649  -1.236  -0.290
+  371TYR    HE1 5260   0.693  -1.142  -0.320
+  371TYR     CZ 5261   0.727  -1.334  -0.229
+  371TYR     OH 5262   0.864  -1.309  -0.208
+  371TYR     HH 5263   0.901  -1.383  -0.161
+  371TYR    CD2 5264   0.533  -1.479  -0.213
+  371TYR    HD2 5265   0.487  -1.572  -0.185
+  371TYR    CE2 5266   0.669  -1.456  -0.190
+  371TYR    HE2 5267   0.729  -1.531  -0.142
+  371TYR      C 5268   0.157  -1.525  -0.460
+  371TYR      O 5269   0.145  -1.648  -0.442
+  372ALA      N 5270   0.052  -1.448  -0.489
+  372ALA     HN 5271   0.062  -1.346  -0.488
+  372ALA     CA 5272  -0.081  -1.502  -0.507
+  372ALA     HA 5273  -0.077  -1.610  -0.515
+  372ALA     CB 5274  -0.168  -1.462  -0.386
+  372ALA    HB1 5275  -0.171  -1.352  -0.377
+  372ALA    HB2 5276  -0.122  -1.502  -0.294
+  372ALA    HB3 5277  -0.271  -1.502  -0.396
+  372ALA      C 5278  -0.146  -1.454  -0.635
+  372ALA      O 5279  -0.258  -1.498  -0.668
+  373ASN      N 5280  -0.082  -1.364  -0.711
+  373ASN     HN 5281   0.001  -1.322  -0.673
+  373ASN     CA 5282  -0.120  -1.321  -0.845
+  373ASN     HA 5283  -0.040  -1.257  -0.880
+  373ASN     CB 5284  -0.134  -1.439  -0.945
+  373ASN    HB1 5285  -0.159  -1.401  -1.046
+  373ASN    HB2 5286  -0.216  -1.507  -0.915
+  373ASN     CG 5287  -0.007  -1.523  -0.956
+  373ASN    OD1 5288  -0.012  -1.647  -0.973
+  373ASN    ND2 5289   0.112  -1.461  -0.942
+  373ASN   HD21 5290   0.115  -1.362  -0.923
+  373ASN   HD22 5291   0.195  -1.515  -0.944
+  373ASN      C 5292  -0.240  -1.227  -0.844
+  373ASN      O 5293  -0.303  -1.204  -0.948
+  374MET      N 5294  -0.273  -1.170  -0.727
+  374MET     HN 5295  -0.215  -1.188  -0.646
+  374MET     CA 5296  -0.376  -1.070  -0.704
+  374MET     HA 5297  -0.360  -1.033  -0.604
+  374MET     CB 5298  -0.366  -0.949  -0.802
+  374MET    HB1 5299  -0.433  -0.965  -0.889
+  374MET    HB2 5300  -0.262  -0.944  -0.841
+  374MET     CG 5301  -0.400  -0.814  -0.735
+  374MET    HG1 5302  -0.500  -0.824  -0.688
+  374MET    HG2 5303  -0.409  -0.737  -0.814
+  374MET     SD 5304  -0.279  -0.761  -0.610
+  374MET     CE 5305  -0.152  -0.706  -0.728
+  374MET    HE1 5306  -0.191  -0.628  -0.796
+  374MET    HE2 5307  -0.115  -0.790  -0.790
+  374MET    HE3 5308  -0.064  -0.662  -0.674
+  374MET      C 5309  -0.515  -1.132  -0.705
+  374MET      O 5310  -0.618  -1.066  -0.703
+  375LEU      N 5311  -0.521  -1.267  -0.697
+  375LEU     HN 5312  -0.436  -1.319  -0.695
+  375LEU     CA 5313  -0.644  -1.342  -0.714
+  375LEU     HA 5314  -0.697  -1.303  -0.800
+  375LEU     CB 5315  -0.611  -1.492  -0.734
+  375LEU    HB1 5316  -0.704  -1.553  -0.741
+  375LEU    HB2 5317  -0.553  -1.526  -0.645
+  375LEU     CG 5318  -0.524  -1.524  -0.858
+  375LEU     HG 5319  -0.432  -1.460  -0.854
+  375LEU    CD1 5320  -0.478  -1.671  -0.856
+  375LEU   HD11 5321  -0.566  -1.738  -0.864
+  375LEU   HD12 5322  -0.423  -1.693  -0.762
+  375LEU   HD13 5323  -0.411  -1.690  -0.942
+  375LEU    CD2 5324  -0.595  -1.493  -0.991
+  375LEU   HD21 5325  -0.622  -1.385  -0.996
+  375LEU   HD22 5326  -0.687  -1.554  -1.001
+  375LEU   HD23 5327  -0.527  -1.516  -1.076
+  375LEU      C 5328  -0.735  -1.327  -0.594
+  375LEU      O 5329  -0.857  -1.349  -0.600
+  376TRP      N 5330  -0.679  -1.283  -0.480
+  376TRP     HN 5331  -0.582  -1.259  -0.481
+  376TRP     CA 5332  -0.749  -1.254  -0.357
+  376TRP     HA 5333  -0.818  -1.334  -0.338
+  376TRP     CB 5334  -0.650  -1.245  -0.238
+  376TRP    HB1 5335  -0.607  -1.346  -0.223
+  376TRP    HB2 5336  -0.705  -1.219  -0.145
+  376TRP     CG 5337  -0.537  -1.148  -0.257
+  376TRP    CD1 5338  -0.413  -1.177  -0.308
+  376TRP    HD1 5339  -0.379  -1.277  -0.334
+  376TRP    NE1 5340  -0.340  -1.062  -0.323
+  376TRP    HE1 5341  -0.249  -1.055  -0.361
+  376TRP    CE2 5342  -0.416  -0.956  -0.280
+  376TRP    CD2 5343  -0.540  -1.006  -0.236
+  376TRP    CE3 5344  -0.637  -0.918  -0.186
+  376TRP    HE3 5345  -0.732  -0.953  -0.147
+  376TRP    CZ3 5346  -0.609  -0.781  -0.186
+  376TRP    HZ3 5347  -0.683  -0.711  -0.149
+  376TRP    CZ2 5348  -0.388  -0.820  -0.279
+  376TRP    HZ2 5349  -0.294  -0.781  -0.315
+  376TRP    CH2 5350  -0.488  -0.734  -0.235
+  376TRP    HH2 5351  -0.472  -0.627  -0.240
+  376TRP      C 5352  -0.832  -1.126  -0.369
+  376TRP      O 5353  -0.929  -1.110  -0.295
+  377LEU      N 5354  -0.799  -1.038  -0.466
+  377LEU     HN 5355  -0.722  -1.057  -0.527
+  377LEU     CA 5356  -0.867  -0.913  -0.489
+  377LEU     HA 5357  -0.915  -0.880  -0.398
+  377LEU     CB 5358  -0.766  -0.806  -0.537
+  377LEU    HB1 5359  -0.713  -0.843  -0.628
+  377LEU    HB2 5360  -0.689  -0.793  -0.458
+  377LEU     CG 5361  -0.824  -0.666  -0.572
+  377LEU     HG 5362  -0.895  -0.677  -0.657
+  377LEU    CD1 5363  -0.901  -0.604  -0.454
+  377LEU   HD11 5364  -0.834  -0.592  -0.366
+  377LEU   HD12 5365  -0.987  -0.667  -0.425
+  377LEU   HD13 5366  -0.939  -0.503  -0.482
+  377LEU    CD2 5367  -0.712  -0.571  -0.618
+  377LEU   HD21 5368  -0.658  -0.613  -0.706
+  377LEU   HD22 5369  -0.639  -0.554  -0.536
+  377LEU   HD23 5370  -0.755  -0.473  -0.647
+  377LEU      C 5371  -0.974  -0.931  -0.596
+  377LEU      O 5372  -1.088  -0.889  -0.579
+  378ASP      N 5373  -0.937  -0.992  -0.711
+  378ASP     HN 5374  -0.845  -1.029  -0.723
+  378ASP     CA 5375  -1.015  -0.979  -0.833
+  378ASP     HA 5376  -1.106  -0.925  -0.812
+  378ASP     CB 5377  -0.931  -0.895  -0.934
+  378ASP    HB1 5378  -0.900  -0.802  -0.882
+  378ASP    HB2 5379  -0.996  -0.866  -1.019
+  378ASP     CG 5380  -0.805  -0.958  -0.992
+  378ASP    OD1 5381  -0.788  -1.084  -0.977
+  378ASP    OD2 5382  -0.730  -0.885  -1.058
+  378ASP      C 5383  -1.061  -1.112  -0.890
+  378ASP      O 5384  -1.125  -1.116  -0.999
+  379SER      N 5385  -1.041  -1.225  -0.822
+  379SER     HN 5386  -0.995  -1.222  -0.733
+  379SER     CA 5387  -1.065  -1.355  -0.881
+  379SER     HA 5388  -1.140  -1.347  -0.959
+  379SER     CB 5389  -0.936  -1.416  -0.942
+  379SER    HB1 5390  -0.865  -1.444  -0.861
+  379SER    HB2 5391  -0.885  -1.338  -1.003
+  379SER     OG 5392  -0.963  -1.530  -1.025
+  379SER    HG1 5393  -1.006  -1.496  -1.106
+  379SER      C 5394  -1.125  -1.446  -0.774
+  379SER      O 5395  -1.164  -1.408  -0.668
+  380THR      N 5396  -1.137  -1.577  -0.811
+  380THR     HN 5397  -1.099  -1.602  -0.899
+  380THR     CA 5398  -1.172  -1.681  -0.715
+  380THR     HA 5399  -1.237  -1.639  -0.640
+  380THR     CB 5400  -1.242  -1.800  -0.779
+  380THR     HB 5401  -1.172  -1.856  -0.845
+  380THR    OG1 5402  -1.349  -1.755  -0.861
+  380THR    HG1 5403  -1.318  -1.672  -0.900
+  380THR    CG2 5404  -1.299  -1.894  -0.672
+  380THR   HG21 5405  -1.365  -1.839  -0.602
+  380THR   HG22 5406  -1.217  -1.940  -0.612
+  380THR   HG23 5407  -1.357  -1.976  -0.718
+  380THR      C 5408  -1.046  -1.728  -0.647
+  380THR      O 5409  -0.950  -1.772  -0.715
+  381TYR      N 5410  -1.039  -1.720  -0.515
+  381TYR     HN 5411  -1.119  -1.688  -0.462
+  381TYR     CA 5412  -0.921  -1.751  -0.439
+  381TYR     HA 5413  -0.859  -1.817  -0.497
+  381TYR     CB 5414  -0.839  -1.623  -0.409
+  381TYR    HB1 5415  -0.896  -1.554  -0.344
+  381TYR    HB2 5416  -0.820  -1.572  -0.505
+  381TYR     CG 5417  -0.705  -1.653  -0.346
+  381TYR    CD1 5418  -0.599  -1.696  -0.427
+  381TYR    HD1 5419  -0.614  -1.709  -0.533
+  381TYR    CE1 5420  -0.472  -1.720  -0.372
+  381TYR    HE1 5421  -0.390  -1.749  -0.437
+  381TYR     CZ 5422  -0.451  -1.704  -0.235
+  381TYR     OH 5423  -0.324  -1.731  -0.180
+  381TYR     HH 5424  -0.264  -1.745  -0.253
+  381TYR    CD2 5425  -0.683  -1.636  -0.208
+  381TYR    HD2 5426  -0.763  -1.602  -0.145
+  381TYR    CE2 5427  -0.557  -1.664  -0.153
+  381TYR    HE2 5428  -0.543  -1.653  -0.047
+  381TYR      C 5429  -0.965  -1.816  -0.307
+  381TYR      O 5430  -1.054  -1.768  -0.243
+  382PRO      N 5431  -0.900  -1.926  -0.265
+  382PRO     CD 5432  -0.922  -1.969  -0.126
+  382PRO    HD1 5433  -1.025  -2.009  -0.119
+  382PRO    HD2 5434  -0.908  -1.884  -0.055
+  382PRO     CA 5435  -0.825  -2.025  -0.340
+  382PRO     HA 5436  -0.730  -1.978  -0.364
+  382PRO     CB 5437  -0.808  -2.143  -0.243
+  382PRO    HB1 5438  -0.713  -2.197  -0.259
+  382PRO    HB2 5439  -0.892  -2.215  -0.255
+  382PRO     CG 5440  -0.818  -2.079  -0.105
+  382PRO    HG1 5441  -0.850  -2.150  -0.026
+  382PRO    HG2 5442  -0.722  -2.032  -0.076
+  382PRO      C 5443  -0.881  -2.068  -0.474
+  382PRO      O 5444  -1.003  -2.063  -0.495
+  383THR      N 5445  -0.796  -2.108  -0.568
+  383THR     HN 5446  -0.698  -2.120  -0.551
+  383THR     CA 5447  -0.832  -2.134  -0.707
+  383THR     HA 5448  -0.899  -2.055  -0.740
+  383THR     CB 5449  -0.710  -2.134  -0.797
+  383THR     HB 5450  -0.735  -2.167  -0.901
+  383THR    OG1 5451  -0.608  -2.217  -0.741
+  383THR    HG1 5452  -0.540  -2.231  -0.808
+  383THR    CG2 5453  -0.654  -1.992  -0.802
+  383THR   HG21 5454  -0.619  -1.959  -0.701
+  383THR   HG22 5455  -0.731  -1.920  -0.836
+  383THR   HG23 5456  -0.567  -1.985  -0.870
+  383THR      C 5457  -0.907  -2.264  -0.726
+  383THR      O 5458  -0.971  -2.286  -0.829
+  384ASN      N 5459  -0.904  -2.352  -0.624
+  384ASN     HN 5460  -0.849  -2.333  -0.543
+  384ASN     CA 5461  -0.975  -2.478  -0.624
+  384ASN     HA 5462  -0.993  -2.509  -0.726
+  384ASN     CB 5463  -0.892  -2.588  -0.552
+  384ASN    HB1 5464  -0.794  -2.597  -0.604
+  384ASN    HB2 5465  -0.944  -2.686  -0.561
+  384ASN     CG 5466  -0.865  -2.558  -0.405
+  384ASN    OD1 5467  -0.793  -2.458  -0.374
+  384ASN    ND2 5468  -0.916  -2.637  -0.313
+  384ASN   HD21 5469  -0.904  -2.613  -0.216
+  384ASN   HD22 5470  -0.975  -2.714  -0.339
+  384ASN      C 5471  -1.111  -2.463  -0.559
+  384ASN      O 5472  -1.189  -2.560  -0.558
+  385GLU      N 5473  -1.147  -2.344  -0.508
+  385GLU     HN 5474  -1.087  -2.264  -0.514
+  385GLU     CA 5475  -1.278  -2.318  -0.453
+  385GLU     HA 5476  -1.312  -2.409  -0.405
+  385GLU     CB 5477  -1.280  -2.207  -0.345
+  385GLU    HB1 5478  -1.384  -2.184  -0.315
+  385GLU    HB2 5479  -1.237  -2.114  -0.389
+  385GLU     CG 5480  -1.202  -2.244  -0.216
+  385GLU    HG1 5481  -1.195  -2.154  -0.152
+  385GLU    HG2 5482  -1.100  -2.277  -0.241
+  385GLU     CD 5483  -1.268  -2.352  -0.130
+  385GLU    OE1 5484  -1.383  -2.395  -0.166
+  385GLU    OE2 5485  -1.210  -2.387  -0.025
+  385GLU      C 5486  -1.380  -2.289  -0.559
+  385GLU      O 5487  -1.349  -2.254  -0.677
+  386THR      N 5488  -1.507  -2.302  -0.525
+  386THR     HN 5489  -1.526  -2.324  -0.429
+  386THR     CA 5490  -1.620  -2.286  -0.615
+  386THR     HA 5491  -1.584  -2.274  -0.716
+  386THR     CB 5492  -1.718  -2.403  -0.612
+  386THR     HB 5493  -1.794  -2.391  -0.692
+  386THR    OG1 5494  -1.787  -2.414  -0.487
+  386THR    HG1 5495  -1.718  -2.406  -0.419
+  386THR    CG2 5496  -1.642  -2.533  -0.640
+  386THR   HG21 5497  -1.569  -2.556  -0.560
+  386THR   HG22 5498  -1.586  -2.524  -0.736
+  386THR   HG23 5499  -1.712  -2.619  -0.649
+  386THR      C 5500  -1.692  -2.157  -0.576
+  386THR      O 5501  -1.666  -2.094  -0.480
+  387SER      N 5502  -1.796  -2.121  -0.659
+  387SER     HN 5503  -1.816  -2.168  -0.742
+  387SER     CA 5504  -1.879  -2.007  -0.627
+  387SER     HA 5505  -1.817  -1.927  -0.588
+  387SER     CB 5506  -1.952  -1.957  -0.754
+  387SER    HB1 5507  -1.873  -1.925  -0.827
+  387SER    HB2 5508  -2.014  -1.867  -0.732
+  387SER     OG 5509  -2.031  -2.060  -0.816
+  387SER    HG1 5510  -2.089  -2.099  -0.750
+  387SER      C 5511  -1.985  -2.035  -0.522
+  387SER      O 5512  -2.057  -1.948  -0.479
+  388SER      N 5513  -1.998  -2.165  -0.481
+  388SER     HN 5514  -1.939  -2.236  -0.517
+  388SER     CA 5515  -2.087  -2.201  -0.371
+  388SER     HA 5516  -2.172  -2.135  -0.373
+  388SER     CB 5517  -2.144  -2.346  -0.384
+  388SER    HB1 5518  -2.191  -2.357  -0.484
+  388SER    HB2 5519  -2.224  -2.358  -0.307
+  388SER     OG 5520  -2.048  -2.450  -0.364
+  388SER    HG1 5521  -1.974  -2.439  -0.426
+  388SER      C 5522  -2.021  -2.183  -0.235
+  388SER      O 5523  -2.086  -2.177  -0.134
+  389THR      N 5524  -1.886  -2.171  -0.236
+  389THR     HN 5525  -1.834  -2.173  -0.320
+  389THR     CA 5526  -1.806  -2.150  -0.116
+  389THR     HA 5527  -1.845  -2.216  -0.040
+  389THR     CB 5528  -1.659  -2.187  -0.136
+  389THR     HB 5529  -1.612  -2.119  -0.209
+  389THR    OG1 5530  -1.643  -2.320  -0.187
+  389THR    HG1 5531  -1.549  -2.344  -0.172
+  389THR    CG2 5532  -1.584  -2.181  -0.002
+  389THR   HG21 5533  -1.633  -2.245   0.075
+  389THR   HG22 5534  -1.580  -2.077   0.037
+  389THR   HG23 5535  -1.479  -2.216  -0.013
+  389THR      C 5536  -1.815  -2.003  -0.071
+  389THR      O 5537  -1.782  -1.916  -0.153
+  390PRO      N 5538  -1.859  -1.967   0.050
+  390PRO     CD 5539  -1.912  -2.059   0.151
+  390PRO    HD1 5540  -1.826  -2.103   0.206
+  390PRO    HD2 5541  -1.975  -2.138   0.106
+  390PRO     CA 5542  -1.873  -1.827   0.093
+  390PRO     HA 5543  -1.947  -1.782   0.030
+  390PRO     CB 5544  -1.920  -1.837   0.239
+  390PRO    HB1 5545  -1.982  -1.750   0.269
+  390PRO    HB2 5546  -1.833  -1.844   0.308
+  390PRO     CG 5547  -1.996  -1.970   0.243
+  390PRO    HG1 5548  -2.004  -2.011   0.346
+  390PRO    HG2 5549  -2.097  -1.958   0.199
+  390PRO      C 5550  -1.748  -1.742   0.081
+  390PRO      O 5551  -1.645  -1.774   0.140
+  391GLY      N 5552  -1.753  -1.631   0.004
+  391GLY     HN 5553  -1.837  -1.609  -0.045
+  391GLY     CA 5554  -1.645  -1.533  -0.003
+  391GLY    HA1 5555  -1.612  -1.511   0.097
+  391GLY    HA2 5556  -1.683  -1.446  -0.053
+  391GLY      C 5557  -1.523  -1.579  -0.080
+  391GLY      O 5558  -1.420  -1.512  -0.080
+  392ALA      N 5559  -1.533  -1.695  -0.149
+  392ALA     HN 5560  -1.614  -1.752  -0.139
+  392ALA     CA 5561  -1.428  -1.747  -0.236
+  392ALA     HA 5562  -1.336  -1.748  -0.180
+  392ALA     CB 5563  -1.460  -1.891  -0.280
+  392ALA    HB1 5564  -1.556  -1.896  -0.336
+  392ALA    HB2 5565  -1.468  -1.957  -0.191
+  392ALA    HB3 5566  -1.380  -1.930  -0.345
+  392ALA      C 5567  -1.406  -1.662  -0.358
+  392ALA      O 5568  -1.292  -1.641  -0.403
+  393VAL      N 5569  -1.514  -1.609  -0.416
+  393VAL     HN 5570  -1.604  -1.625  -0.374
+  393VAL     CA 5571  -1.511  -1.528  -0.536
+  393VAL     HA 5572  -1.423  -1.552  -0.593
+  393VAL     CB 5573  -1.634  -1.551  -0.623
+  393VAL     HB 5574  -1.726  -1.518  -0.571
+  393VAL    CG1 5575  -1.618  -1.474  -0.756
+  393VAL   HG11 5576  -1.526  -1.507  -0.809
+  393VAL   HG12 5577  -1.611  -1.364  -0.739
+  393VAL   HG13 5578  -1.705  -1.493  -0.822
+  393VAL    CG2 5579  -1.651  -1.702  -0.651
+  393VAL   HG21 5580  -1.671  -1.758  -0.558
+  393VAL   HG22 5581  -1.558  -1.743  -0.698
+  393VAL   HG23 5582  -1.735  -1.719  -0.721
+  393VAL      C 5583  -1.506  -1.382  -0.494
+  393VAL      O 5584  -1.591  -1.334  -0.425
+  394ARG      N 5585  -1.399  -1.310  -0.540
+  394ARG     HN 5586  -1.326  -1.351  -0.592
+  394ARG     CA 5587  -1.381  -1.170  -0.505
+  394ARG     HA 5588  -1.461  -1.135  -0.441
+  394ARG     CB 5589  -1.245  -1.150  -0.433
+  394ARG    HB1 5590  -1.239  -1.043  -0.400
+  394ARG    HB2 5591  -1.161  -1.166  -0.504
+  394ARG     CG 5592  -1.223  -1.239  -0.309
+  394ARG    HG1 5593  -1.321  -1.270  -0.267
+  394ARG    HG2 5594  -1.173  -1.177  -0.231
+  394ARG     CD 5595  -1.135  -1.362  -0.336
+  394ARG    HD1 5596  -1.033  -1.333  -0.370
+  394ARG    HD2 5597  -1.181  -1.423  -0.418
+  394ARG     NE 5598  -1.129  -1.449  -0.216
+  394ARG     HE 5599  -1.177  -1.534  -0.214
+  394ARG     CZ 5600  -1.047  -1.425  -0.106
+  394ARG    NH1 5601  -0.975  -1.322  -0.094
+  394ARG   HH11 5602  -0.984  -1.242  -0.155
+  394ARG   HH12 5603  -0.932  -1.301  -0.003
+  394ARG    NH2 5604  -1.044  -1.520  -0.015
+  394ARG   HH21 5605  -1.088  -1.606  -0.029
+  394ARG   HH22 5606  -0.977  -1.507   0.061
+  394ARG      C 5607  -1.385  -1.081  -0.630
+  394ARG      O 5608  -1.378  -0.961  -0.625
+  395GLY      N 5609  -1.401  -1.144  -0.749
+  395GLY     HN 5610  -1.407  -1.242  -0.756
+  395GLY     CA 5611  -1.411  -1.067  -0.872
+  395GLY    HA1 5612  -1.318  -1.016  -0.889
+  395GLY    HA2 5613  -1.495  -0.999  -0.865
+  395GLY      C 5614  -1.437  -1.156  -0.989
+  395GLY      O 5615  -1.471  -1.276  -0.973
+  396SER      N 5616  -1.426  -1.103  -1.110
+  396SER     HN 5617  -1.397  -1.007  -1.120
+  396SER     CA 5618  -1.461  -1.173  -1.233
+  396SER     HA 5619  -1.515  -1.264  -1.208
+  396SER     CB 5620  -1.553  -1.087  -1.324
+  396SER    HB1 5621  -1.643  -1.060  -1.263
+  396SER    HB2 5622  -1.587  -1.145  -1.412
+  396SER     OG 5623  -1.492  -0.965  -1.367
+  396SER    HG1 5624  -1.412  -0.989  -1.416
+  396SER      C 5625  -1.340  -1.215  -1.312
+  396SER      O 5626  -1.356  -1.277  -1.420
+  397CYS      N 5627  -1.218  -1.186  -1.268
+  397CYS     HN 5628  -1.204  -1.140  -1.179
+  397CYS     CA 5629  -1.096  -1.230  -1.333
+  397CYS     HA 5630  -1.105  -1.201  -1.437
+  397CYS     CB 5631  -0.968  -1.163  -1.277
+  397CYS    HB1 5632  -0.878  -1.201  -1.329
+  397CYS    HB2 5633  -0.956  -1.189  -1.169
+  397CYS     SG 5634  -0.972  -0.982  -1.294
+  397CYS      C 5635  -1.076  -1.380  -1.331
+  397CYS      O 5636  -1.115  -1.451  -1.238
+  398SER      N 5637  -1.012  -1.433  -1.436
+  398SER     HN 5638  -0.979  -1.372  -1.507
+  398SER     CA 5639  -0.975  -1.574  -1.445
+  398SER     HA 5640  -1.064  -1.633  -1.433
+  398SER     CB 5641  -0.908  -1.608  -1.582
+  398SER    HB1 5642  -0.811  -1.554  -1.589
+  398SER    HB2 5643  -0.976  -1.567  -1.661
+  398SER     OG 5644  -0.890  -1.749  -1.602
+  398SER    HG1 5645  -0.810  -1.765  -1.655
+  398SER      C 5646  -0.875  -1.613  -1.337
+  398SER      O 5647  -0.788  -1.538  -1.301
+  399THR      N 5648  -0.883  -1.740  -1.291
+  399THR     HN 5649  -0.955  -1.802  -1.321
+  399THR     CA 5650  -0.791  -1.796  -1.192
+  399THR     HA 5651  -0.783  -1.725  -1.110
+  399THR     CB 5652  -0.839  -1.929  -1.137
+  399THR     HB 5653  -0.760  -1.979  -1.075
+  399THR    OG1 5654  -0.882  -2.017  -1.241
+  399THR    HG1 5655  -0.910  -2.097  -1.194
+  399THR    CG2 5656  -0.959  -1.903  -1.045
+  399THR   HG21 5657  -1.042  -1.855  -1.101
+  399THR   HG22 5658  -0.929  -1.833  -0.964
+  399THR   HG23 5659  -0.996  -1.996  -0.998
+  399THR      C 5660  -0.650  -1.817  -1.244
+  399THR      O 5661  -0.558  -1.849  -1.172
+  400SER      N 5662  -0.635  -1.801  -1.378
+  400SER     HN 5663  -0.715  -1.780  -1.431
+  400SER     CA 5664  -0.508  -1.812  -1.448
+  400SER     HA 5665  -0.437  -1.866  -1.387
+  400SER     CB 5666  -0.531  -1.886  -1.583
+  400SER    HB1 5667  -0.585  -1.981  -1.562
+  400SER    HB2 5668  -0.432  -1.912  -1.627
+  400SER     OG 5669  -0.607  -1.808  -1.678
+  400SER    HG1 5670  -0.541  -1.745  -1.711
+  400SER      C 5671  -0.450  -1.676  -1.479
+  400SER      O 5672  -0.355  -1.665  -1.557
+  401SER      N 5673  -0.509  -1.567  -1.428
+  401SER     HN 5674  -0.582  -1.576  -1.360
+  401SER     CA 5675  -0.464  -1.431  -1.456
+  401SER     HA 5676  -0.414  -1.431  -1.552
+  401SER     CB 5677  -0.580  -1.328  -1.467
+  401SER    HB1 5678  -0.655  -1.365  -1.539
+  401SER    HB2 5679  -0.541  -1.231  -1.504
+  401SER     OG 5680  -0.646  -1.302  -1.343
+  401SER    HG1 5681  -0.679  -1.385  -1.303
+  401SER      C 5682  -0.361  -1.384  -1.355
+  401SER      O 5683  -0.338  -1.446  -1.253
+  402GLY      N 5684  -0.294  -1.271  -1.388
+  402GLY     HN 5685  -0.308  -1.226  -1.475
+  402GLY     CA 5686  -0.213  -1.198  -1.291
+  402GLY    HA1 5687  -0.264  -1.196  -1.195
+  402GLY    HA2 5688  -0.197  -1.100  -1.331
+  402GLY      C 5689  -0.076  -1.254  -1.267
+  402GLY      O 5690  -0.012  -1.225  -1.168
+  403VAL      N 5691  -0.027  -1.337  -1.361
+  403VAL     HN 5692  -0.085  -1.365  -1.436
+  403VAL     CA 5693   0.110  -1.385  -1.361
+  403VAL     HA 5694   0.131  -1.424  -1.263
+  403VAL     CB 5695   0.129  -1.500  -1.460
+  403VAL     HB 5696   0.096  -1.467  -1.562
+  403VAL    CG1 5697   0.278  -1.542  -1.469
+  403VAL   HG11 5698   0.316  -1.569  -1.368
+  403VAL   HG12 5699   0.341  -1.462  -1.512
+  403VAL   HG13 5700   0.287  -1.631  -1.535
+  403VAL    CG2 5701   0.041  -1.619  -1.417
+  403VAL   HG21 5702  -0.067  -1.592  -1.417
+  403VAL   HG22 5703   0.068  -1.651  -1.314
+  403VAL   HG23 5704   0.056  -1.704  -1.486
+  403VAL      C 5705   0.205  -1.270  -1.395
+  403VAL      O 5706   0.192  -1.220  -1.509
+  404PRO      N 5707   0.296  -1.223  -1.309
+  404PRO     CD 5708   0.319  -1.280  -1.175
+  404PRO    HD1 5709   0.373  -1.376  -1.183
+  404PRO    HD2 5710   0.223  -1.294  -1.120
+  404PRO     CA 5711   0.377  -1.103  -1.328
+  404PRO     HA 5712   0.311  -1.018  -1.314
+  404PRO     CB 5713   0.480  -1.108  -1.216
+  404PRO    HB1 5714   0.513  -1.005  -1.188
+  404PRO    HB2 5715   0.569  -1.169  -1.242
+  404PRO     CG 5716   0.403  -1.176  -1.102
+  404PRO    HG1 5717   0.470  -1.220  -1.026
+  404PRO    HG2 5718   0.337  -1.100  -1.054
+  404PRO      C 5719   0.438  -1.083  -1.465
+  404PRO      O 5720   0.410  -0.985  -1.533
+  405ALA      N 5721   0.514  -1.183  -1.513
+  405ALA     HN 5722   0.533  -1.261  -1.453
+  405ALA     CA 5723   0.583  -1.176  -1.640
+  405ALA     HA 5724   0.649  -1.090  -1.634
+  405ALA     CB 5725   0.663  -1.306  -1.664
+  405ALA    HB1 5726   0.596  -1.394  -1.664
+  405ALA    HB2 5727   0.738  -1.319  -1.582
+  405ALA    HB3 5728   0.716  -1.302  -1.760
+  405ALA      C 5729   0.489  -1.154  -1.757
+  405ALA      O 5730   0.520  -1.079  -1.852
+  406GLN      N 5731   0.373  -1.222  -1.756
+  406GLN     HN 5732   0.350  -1.276  -1.675
+  406GLN     CA 5733   0.269  -1.206  -1.854
+  406GLN     HA 5734   0.315  -1.214  -1.951
+  406GLN     CB 5735   0.163  -1.318  -1.842
+  406GLN    HB1 5736   0.115  -1.314  -1.742
+  406GLN    HB2 5737   0.218  -1.415  -1.848
+  406GLN     CG 5738   0.054  -1.312  -1.952
+  406GLN    HG1 5739   0.104  -1.303  -2.051
+  406GLN    HG2 5740  -0.012  -1.224  -1.936
+  406GLN     CD 5741  -0.033  -1.438  -1.951
+  406GLN    OE1 5742  -0.049  -1.509  -1.853
+  406GLN    NE2 5743  -0.095  -1.469  -2.069
+  406GLN   HE21 5744  -0.075  -1.412  -2.151
+  406GLN   HE22 5745  -0.143  -1.554  -2.072
+  406GLN      C 5746   0.201  -1.069  -1.851
+  406GLN      O 5747   0.184  -1.007  -1.957
+  407VAL      N 5748   0.163  -1.017  -1.733
+  407VAL     HN 5749   0.184  -1.064  -1.646
+  407VAL     CA 5750   0.095  -0.888  -1.721
+  407VAL     HA 5751   0.021  -0.886  -1.799
+  407VAL     CB 5752   0.018  -0.867  -1.591
+  407VAL     HB 5753  -0.031  -0.766  -1.594
+  407VAL    CG1 5754  -0.092  -0.974  -1.580
+  407VAL   HG11 5755  -0.047  -1.074  -1.563
+  407VAL   HG12 5756  -0.154  -0.978  -1.671
+  407VAL   HG13 5757  -0.157  -0.951  -1.493
+  407VAL    CG2 5758   0.109  -0.868  -1.467
+  407VAL   HG21 5759   0.190  -0.793  -1.472
+  407VAL   HG22 5760   0.155  -0.968  -1.453
+  407VAL   HG23 5761   0.050  -0.846  -1.375
+  407VAL      C 5762   0.186  -0.771  -1.754
+  407VAL      O 5763   0.146  -0.677  -1.823
+  408GLU      N 5764   0.314  -0.776  -1.713
+  408GLU     HN 5765   0.345  -0.850  -1.651
+  408GLU     CA 5766   0.415  -0.679  -1.750
+  408GLU     HA 5767   0.383  -0.581  -1.716
+  408GLU     CB 5768   0.548  -0.716  -1.683
+  408GLU    HB1 5769   0.633  -0.660  -1.728
+  408GLU    HB2 5770   0.563  -0.825  -1.704
+  408GLU     CG 5771   0.556  -0.693  -1.530
+  408GLU    HG1 5772   0.462  -0.724  -1.479
+  408GLU    HG2 5773   0.572  -0.586  -1.507
+  408GLU     CD 5774   0.671  -0.775  -1.469
+  408GLU    OE1 5775   0.738  -0.844  -1.552
+  408GLU    OE2 5776   0.704  -0.766  -1.350
+  408GLU      C 5777   0.438  -0.671  -1.900
+  408GLU      O 5778   0.454  -0.564  -1.960
+  409SER      N 5779   0.443  -0.788  -1.967
+  409SER     HN 5780   0.432  -0.873  -1.914
+  409SER     CA 5781   0.460  -0.798  -2.110
+  409SER     HA 5782   0.540  -0.731  -2.138
+  409SER     CB 5783   0.499  -0.942  -2.151
+  409SER    HB1 5784   0.414  -1.012  -2.129
+  409SER    HB2 5785   0.584  -0.974  -2.086
+  409SER     OG 5786   0.539  -0.952  -2.287
+  409SER    HG1 5787   0.460  -0.938  -2.342
+  409SER      C 5788   0.340  -0.754  -2.192
+  409SER      O 5789   0.353  -0.696  -2.299
+  410GLN      N 5790   0.218  -0.785  -2.143
+  410GLN     HN 5791   0.208  -0.832  -2.056
+  410GLN     CA 5792   0.096  -0.760  -2.219
+  410GLN     HA 5793   0.118  -0.763  -2.325
+  410GLN     CB 5794  -0.008  -0.870  -2.188
+  410GLN    HB1 5795  -0.108  -0.839  -2.227
+  410GLN    HB2 5796  -0.016  -0.879  -2.077
+  410GLN     CG 5797   0.027  -1.008  -2.251
+  410GLN    HG1 5798   0.124  -1.043  -2.211
+  410GLN    HG2 5799   0.035  -0.996  -2.361
+  410GLN     CD 5800  -0.077  -1.115  -2.223
+  410GLN    OE1 5801  -0.078  -1.225  -2.284
+  410GLN    NE2 5802  -0.173  -1.092  -2.132
+  410GLN   HE21 5803  -0.230  -1.163  -2.099
+  410GLN   HE22 5804  -0.173  -0.998  -2.088
+  410GLN      C 5805   0.033  -0.625  -2.193
+  410GLN      O 5806  -0.043  -0.574  -2.276
+  411SER      N 5807   0.066  -0.561  -2.080
+  411SER     HN 5808   0.125  -0.605  -2.010
+  411SER     CA 5809   0.011  -0.432  -2.044
+  411SER     HA 5810  -0.018  -0.380  -2.134
+  411SER     CB 5811  -0.116  -0.445  -1.955
+  411SER    HB1 5812  -0.153  -0.346  -1.923
+  411SER    HB2 5813  -0.090  -0.503  -1.863
+  411SER     OG 5814  -0.221  -0.513  -2.025
+  411SER    HG1 5815  -0.252  -0.456  -2.096
+  411SER      C 5816   0.114  -0.342  -1.977
+  411SER      O 5817   0.089  -0.296  -1.866
+  412PRO      N 5818   0.227  -0.307  -2.039
+  412PRO     CD 5819   0.263  -0.342  -2.177
+  412PRO    HD1 5820   0.179  -0.321  -2.247
+  412PRO    HD2 5821   0.292  -0.449  -2.181
+  412PRO     CA 5822   0.331  -0.227  -1.974
+  412PRO     HA 5823   0.352  -0.266  -1.875
+  412PRO     CB 5824   0.450  -0.237  -2.071
+  412PRO    HB1 5825   0.508  -0.329  -2.045
+  412PRO    HB2 5826   0.519  -0.150  -2.066
+  412PRO     CG 5827   0.386  -0.256  -2.209
+  412PRO    HG1 5828   0.353  -0.157  -2.249
+  412PRO    HG2 5829   0.452  -0.306  -2.283
+  412PRO      C 5830   0.289  -0.082  -1.958
+  412PRO      O 5831   0.346  -0.012  -1.875
+  413ASN      N 5832   0.193  -0.036  -2.039
+  413ASN     HN 5833   0.151  -0.099  -2.104
+  413ASN     CA 5834   0.148   0.102  -2.043
+  413ASN     HA 5835   0.227   0.166  -2.004
+  413ASN     CB 5836   0.112   0.144  -2.188
+  413ASN    HB1 5837   0.083   0.251  -2.192
+  413ASN    HB2 5838   0.027   0.083  -2.227
+  413ASN     CG 5839   0.230   0.122  -2.283
+  413ASN    OD1 5840   0.224   0.042  -2.376
+  413ASN    ND2 5841   0.343   0.192  -2.258
+  413ASN   HD21 5842   0.422   0.176  -2.316
+  413ASN   HD22 5843   0.354   0.244  -2.172
+  413ASN      C 5844   0.028   0.122  -1.952
+  413ASN      O 5845  -0.038   0.225  -1.956
+  414ALA      N 5846  -0.002   0.021  -1.867
+  414ALA     HN 5847   0.054  -0.062  -1.867
+  414ALA     CA 5848  -0.092   0.031  -1.755
+  414ALA     HA 5849  -0.188   0.062  -1.793
+  414ALA     CB 5850  -0.104  -0.105  -1.685
+  414ALA    HB1 5851  -0.005  -0.142  -1.651
+  414ALA    HB2 5852  -0.147  -0.181  -1.755
+  414ALA    HB3 5853  -0.171  -0.099  -1.597
+  414ALA      C 5854  -0.045   0.136  -1.654
+  414ALA      O 5855   0.073   0.159  -1.635
+  415LYS      N 5856  -0.140   0.203  -1.587
+  415LYS     HN 5857  -0.237   0.182  -1.596
+  415LYS     CA 5858  -0.102   0.305  -1.492
+  415LYS     HA 5859  -0.021   0.267  -1.431
+  415LYS     CB 5860  -0.060   0.439  -1.558
+  415LYS    HB1 5861   0.026   0.419  -1.626
+  415LYS    HB2 5862  -0.022   0.507  -1.479
+  415LYS     CG 5863  -0.169   0.513  -1.637
+  415LYS    HG1 5864  -0.260   0.525  -1.575
+  415LYS    HG2 5865  -0.196   0.453  -1.727
+  415LYS     CD 5866  -0.119   0.652  -1.679
+  415LYS    HD1 5867  -0.032   0.639  -1.747
+  415LYS    HD2 5868  -0.080   0.703  -1.587
+  415LYS     CE 5869  -0.227   0.738  -1.744
+  415LYS    HE1 5870  -0.316   0.744  -1.678
+  415LYS    HE2 5871  -0.258   0.693  -1.842
+  415LYS     NZ 5872  -0.177   0.874  -1.768
+  415LYS    HZ1 5873  -0.090   0.871  -1.825
+  415LYS    HZ2 5874  -0.152   0.918  -1.676
+  415LYS    HZ3 5875  -0.249   0.932  -1.815
+  415LYS      C 5876  -0.217   0.330  -1.398
+  415LYS      O 5877  -0.333   0.299  -1.426
+  416VAL      N 5878  -0.186   0.393  -1.284
+  416VAL     HN 5879  -0.090   0.417  -1.265
+  416VAL     CA 5880  -0.284   0.442  -1.190
+  416VAL     HA 5881  -0.384   0.429  -1.231
+  416VAL     CB 5882  -0.278   0.371  -1.055
+  416VAL     HB 5883  -0.283   0.261  -1.076
+  416VAL    CG1 5884  -0.146   0.398  -0.981
+  416VAL   HG11 5885  -0.138   0.504  -0.950
+  416VAL   HG12 5886  -0.059   0.372  -1.045
+  416VAL   HG13 5887  -0.141   0.335  -0.889
+  416VAL    CG2 5888  -0.401   0.408  -0.969
+  416VAL   HG21 5889  -0.496   0.389  -1.023
+  416VAL   HG22 5890  -0.398   0.515  -0.938
+  416VAL   HG23 5891  -0.402   0.347  -0.876
+  416VAL      C 5892  -0.260   0.591  -1.179
+  416VAL      O 5893  -0.148   0.640  -1.191
+  417THR      N 5894  -0.368   0.669  -1.163
+  417THR     HN 5895  -0.459   0.629  -1.155
+  417THR     CA 5896  -0.354   0.812  -1.137
+  417THR     HA 5897  -0.252   0.835  -1.110
+  417THR     CB 5898  -0.393   0.901  -1.255
+  417THR     HB 5899  -0.500   0.883  -1.282
+  417THR    OG1 5900  -0.312   0.871  -1.368
+  417THR    HG1 5901  -0.315   0.775  -1.373
+  417THR    CG2 5902  -0.372   1.049  -1.223
+  417THR   HG21 5903  -0.267   1.068  -1.190
+  417THR   HG22 5904  -0.440   1.084  -1.143
+  417THR   HG23 5905  -0.390   1.111  -1.313
+  417THR      C 5906  -0.439   0.845  -1.018
+  417THR      O 5907  -0.559   0.820  -1.018
+  418PHE      N 5908  -0.377   0.903  -0.915
+  418PHE     HN 5909  -0.280   0.926  -0.921
+  418PHE     CA 5910  -0.444   0.952  -0.796
+  418PHE     HA 5911  -0.547   0.917  -0.794
+  418PHE     CB 5912  -0.372   0.912  -0.664
+  418PHE    HB1 5913  -0.426   0.951  -0.576
+  418PHE    HB2 5914  -0.269   0.954  -0.663
+  418PHE     CG 5915  -0.362   0.763  -0.651
+  418PHE    CD1 5916  -0.474   0.688  -0.611
+  418PHE    HD1 5917  -0.568   0.738  -0.594
+  418PHE    CE1 5918  -0.466   0.550  -0.594
+  418PHE    HE1 5919  -0.553   0.493  -0.563
+  418PHE     CZ 5920  -0.344   0.484  -0.615
+  418PHE     HZ 5921  -0.336   0.378  -0.600
+  418PHE    CD2 5922  -0.240   0.696  -0.670
+  418PHE    HD2 5923  -0.152   0.752  -0.698
+  418PHE    CE2 5924  -0.231   0.557  -0.653
+  418PHE    HE2 5925  -0.137   0.506  -0.667
+  418PHE      C 5926  -0.445   1.102  -0.807
+  418PHE      O 5927  -0.353   1.163  -0.865
+  419SER      N 5928  -0.548   1.169  -0.757
+  419SER     HN 5929  -0.626   1.122  -0.712
+  419SER     CA 5930  -0.551   1.314  -0.761
+  419SER     HA 5931  -0.453   1.348  -0.729
+  419SER     CB 5932  -0.583   1.373  -0.902
+  419SER    HB1 5933  -0.500   1.345  -0.970
+  419SER    HB2 5934  -0.587   1.484  -0.899
+  419SER     OG 5935  -0.704   1.321  -0.957
+  419SER    HG1 5936  -0.696   1.225  -0.950
+  419SER      C 5937  -0.648   1.365  -0.659
+  419SER      O 5938  -0.725   1.291  -0.601
+  420ASN      N 5939  -0.643   1.497  -0.630
+  420ASN     HN 5940  -0.570   1.551  -0.672
+  420ASN     CA 5941  -0.746   1.567  -0.553
+  420ASN     HA 5942  -0.712   1.669  -0.546
+  420ASN     CB 5943  -0.882   1.563  -0.629
+  420ASN    HB1 5944  -0.928   1.463  -0.617
+  420ASN    HB2 5945  -0.863   1.578  -0.737
+  420ASN     CG 5946  -0.982   1.670  -0.585
+  420ASN    OD1 5947  -0.951   1.773  -0.525
+  420ASN    ND2 5948  -1.111   1.646  -0.619
+  420ASN   HD21 5949  -1.133   1.559  -0.665
+  420ASN   HD22 5950  -1.184   1.696  -0.571
+  420ASN      C 5951  -0.759   1.517  -0.410
+  420ASN      O 5952  -0.868   1.496  -0.359
+  421ILE      N 5953  -0.645   1.498  -0.341
+  421ILE     HN 5954  -0.556   1.510  -0.384
+  421ILE     CA 5955  -0.644   1.460  -0.201
+  421ILE     HA 5956  -0.711   1.375  -0.190
+  421ILE     CB 5957  -0.506   1.412  -0.154
+  421ILE     HB 5958  -0.431   1.490  -0.179
+  421ILE    CG2 5959  -0.506   1.391  -0.000
+  421ILE   HG21 5960  -0.590   1.325   0.029
+  421ILE   HG22 5961  -0.516   1.487   0.055
+  421ILE   HG23 5962  -0.411   1.344   0.033
+  421ILE    CG1 5963  -0.468   1.281  -0.229
+  421ILE   HG11 5964  -0.492   1.291  -0.337
+  421ILE   HG12 5965  -0.532   1.199  -0.189
+  421ILE     CD 5966  -0.320   1.244  -0.215
+  421ILE    HD1 5967  -0.291   1.234  -0.109
+  421ILE    HD2 5968  -0.255   1.321  -0.262
+  421ILE    HD3 5969  -0.301   1.146  -0.265
+  421ILE      C 5970  -0.699   1.570  -0.112
+  421ILE      O 5971  -0.655   1.686  -0.118
+  422LYS      N 5972  -0.797   1.537  -0.028
+  422LYS     HN 5973  -0.832   1.442  -0.026
+  422LYS     CA 5974  -0.858   1.631   0.062
+  422LYS     HA 5975  -0.789   1.711   0.082
+  422LYS     CB 5976  -0.994   1.686   0.012
+  422LYS    HB1 5977  -1.023   1.770   0.079
+  422LYS    HB2 5978  -1.072   1.607   0.020
+  422LYS     CG 5979  -0.995   1.732  -0.135
+  422LYS    HG1 5980  -0.981   1.643  -0.199
+  422LYS    HG2 5981  -0.908   1.799  -0.155
+  422LYS     CD 5982  -1.125   1.802  -0.179
+  422LYS    HD1 5983  -1.209   1.729  -0.167
+  422LYS    HD2 5984  -1.116   1.825  -0.287
+  422LYS     CE 5985  -1.158   1.930  -0.100
+  422LYS    HE1 5986  -1.075   2.003  -0.108
+  422LYS    HE2 5987  -1.175   1.906   0.007
+  422LYS     NZ 5988  -1.281   1.992  -0.151
+  422LYS    HZ1 5989  -1.360   1.925  -0.139
+  422LYS    HZ2 5990  -1.271   2.015  -0.252
+  422LYS    HZ3 5991  -1.307   2.079  -0.099
+  422LYS      C 5992  -0.881   1.556   0.191
+  422LYS      O 5993  -0.921   1.442   0.194
+  423PHE      N 5994  -0.849   1.624   0.304
+  423PHE     HN 5995  -0.812   1.716   0.300
+  423PHE     CA 5996  -0.854   1.562   0.433
+  423PHE     HA 5997  -0.926   1.480   0.433
+  423PHE     CB 5998  -0.713   1.506   0.467
+  423PHE    HB1 5999  -0.637   1.584   0.444
+  423PHE    HB2 6000  -0.692   1.418   0.403
+  423PHE     CG 6001  -0.697   1.465   0.611
+  423PHE    CD1 6002  -0.751   1.343   0.657
+  423PHE    HD1 6003  -0.805   1.279   0.588
+  423PHE    CE1 6004  -0.735   1.304   0.790
+  423PHE    HE1 6005  -0.776   1.211   0.824
+  423PHE     CZ 6006  -0.664   1.387   0.879
+  423PHE     HZ 6007  -0.651   1.355   0.981
+  423PHE    CD2 6008  -0.626   1.546   0.701
+  423PHE    HD2 6009  -0.583   1.639   0.665
+  423PHE    CE2 6010  -0.609   1.508   0.834
+  423PHE    HE2 6011  -0.552   1.569   0.902
+  423PHE      C 6012  -0.906   1.663   0.532
+  423PHE      O 6013  -0.858   1.778   0.537
+  424GLY      N 6014  -1.006   1.629   0.613
+  424GLY     HN 6015  -1.046   1.536   0.611
+  424GLY     CA 6016  -1.059   1.722   0.711
+  424GLY    HA1 6017  -1.123   1.792   0.660
+  424GLY    HA2 6018  -0.978   1.768   0.765
+  424GLY      C 6019  -1.144   1.643   0.808
+  424GLY      O 6020  -1.153   1.524   0.795
+  425PRO      N 6021  -1.207   1.711   0.905
+  425PRO     CD 6022  -1.178   1.849   0.941
+  425PRO    HD1 6023  -1.219   1.917   0.863
+  425PRO    HD2 6024  -1.069   1.865   0.954
+  425PRO     CA 6025  -1.322   1.658   0.979
+  425PRO     HA 6026  -1.283   1.581   1.044
+  425PRO     CB 6027  -1.376   1.780   1.054
+  425PRO    HB1 6028  -1.423   1.751   1.151
+  425PRO    HB2 6029  -1.450   1.835   0.992
+  425PRO     CG 6030  -1.252   1.868   1.074
+  425PRO    HG1 6031  -1.277   1.974   1.095
+  425PRO    HG2 6032  -1.191   1.826   1.157
+  425PRO      C 6033  -1.429   1.592   0.895
+  425PRO      O 6034  -1.442   1.624   0.776
+  426ILE      N 6035  -1.509   1.502   0.953
+  426ILE     HN 6036  -1.495   1.480   1.049
+  426ILE     CA 6037  -1.620   1.437   0.884
+  426ILE     HA 6038  -1.578   1.389   0.796
+  426ILE     CB 6039  -1.684   1.327   0.968
+  426ILE     HB 6040  -1.715   1.371   1.065
+  426ILE    CG2 6041  -1.810   1.270   0.901
+  426ILE   HG21 6042  -1.784   1.229   0.801
+  426ILE   HG22 6043  -1.890   1.346   0.888
+  426ILE   HG23 6044  -1.854   1.187   0.961
+  426ILE    CG1 6045  -1.579   1.217   0.995
+  426ILE   HG11 6046  -1.483   1.261   1.030
+  426ILE   HG12 6047  -1.557   1.166   0.899
+  426ILE     CD 6048  -1.622   1.114   1.099
+  426ILE    HD1 6049  -1.713   1.059   1.066
+  426ILE    HD2 6050  -1.642   1.162   1.197
+  426ILE    HD3 6051  -1.541   1.040   1.113
+  426ILE      C 6052  -1.724   1.535   0.832
+  426ILE      O 6053  -1.781   1.614   0.909
+  427GLY      N 6054  -1.751   1.532   0.700
+  427GLY     HN 6055  -1.702   1.466   0.641
+  427GLY     CA 6056  -1.845   1.621   0.633
+  427GLY    HA1 6057  -1.927   1.643   0.700
+  427GLY    HA2 6058  -1.876   1.572   0.542
+  427GLY      C 6059  -1.784   1.752   0.593
+  427GLY      O 6060  -1.855   1.854   0.580
+  428SER      N 6061  -1.651   1.758   0.572
+  428SER     HN 6062  -1.597   1.674   0.581
+  428SER     CA 6063  -1.585   1.882   0.533
+  428SER     HA 6064  -1.659   1.960   0.523
+  428SER     CB 6065  -1.482   1.933   0.638
+  428SER    HB1 6066  -1.533   1.942   0.737
+  428SER    HB2 6067  -1.447   2.034   0.609
+  428SER     OG 6068  -1.369   1.848   0.651
+  428SER    HG1 6069  -1.401   1.763   0.688
+  428SER      C 6070  -1.516   1.875   0.400
+  428SER      O 6071  -1.481   1.980   0.343
+  429THR      N 6072  -1.497   1.756   0.340
+  429THR     HN 6073  -1.529   1.670   0.384
+  429THR     CA 6074  -1.413   1.743   0.221
+  429THR     HA 6075  -1.339   1.821   0.223
+  429THR     CB 6076  -1.336   1.612   0.214
+  429THR     HB 6077  -1.277   1.606   0.120
+  429THR    OG1 6078  -1.422   1.498   0.219
+  429THR    HG1 6079  -1.467   1.498   0.306
+  429THR    CG2 6080  -1.237   1.603   0.331
+  429THR   HG21 6081  -1.291   1.602   0.429
+  429THR   HG22 6082  -1.167   1.688   0.331
+  429THR   HG23 6083  -1.179   1.508   0.325
+  429THR      C 6084  -1.490   1.763   0.093
+  429THR      O 6085  -1.432   1.776  -0.016
+  430GLY      N 6086  -1.624   1.776   0.102
+  430GLY     HN 6087  -1.668   1.761   0.192
+  430GLY     CA 6088  -1.710   1.815  -0.009
+  430GLY    HA1 6089  -1.812   1.795   0.020
+  430GLY    HA2 6090  -1.680   1.762  -0.098
+  430GLY      C 6091  -1.702   1.962  -0.036
+  430GLY      O 6092  -1.715   2.007  -0.151
+  431ASN      N 6093  -1.680   2.041   0.069
+  431ASN     HN 6094  -1.665   1.999   0.158
+  431ASN     CA 6095  -1.676   2.186   0.067
+  431ASN     HA 6096  -1.771   2.214   0.023
+  431ASN     CB 6097  -1.668   2.244   0.211
+  431ASN    HB1 6098  -1.670   2.355   0.207
+  431ASN    HB2 6099  -1.573   2.212   0.259
+  431ASN     CG 6100  -1.789   2.200   0.292
+  431ASN    OD1 6101  -1.902   2.193   0.245
+  431ASN    ND2 6102  -1.766   2.165   0.421
+  431ASN   HD21 6103  -1.844   2.125   0.471
+  431ASN   HD22 6104  -1.675   2.171   0.458
+  431ASN      C 6105  -1.564   2.241  -0.024
+  431ASN      O 6106  -1.460   2.174  -0.038
+  432PRO      N 6107  -1.582   2.355  -0.091
+  432PRO     CD 6108  -1.700   2.442  -0.076
+  432PRO    HD1 6109  -1.696   2.491   0.024
+  432PRO    HD2 6110  -1.795   2.386  -0.088
+  432PRO     CA 6111  -1.486   2.414  -0.184
+  432PRO     HA 6112  -1.497   2.356  -0.275
+  432PRO     CB 6113  -1.535   2.559  -0.203
+  432PRO    HB1 6114  -1.505   2.601  -0.301
+  432PRO    HB2 6115  -1.495   2.623  -0.121
+  432PRO     CG 6116  -1.686   2.547  -0.186
+  432PRO    HG1 6117  -1.734   2.643  -0.158
+  432PRO    HG2 6118  -1.732   2.508  -0.280
+  432PRO      C 6119  -1.338   2.407  -0.151
+  432PRO      O 6120  -1.297   2.436  -0.039
+  433SER      N 6121  -1.255   2.369  -0.249
+  433SER     HN 6122  -1.291   2.343  -0.338
+  433SER     CA 6123  -1.111   2.379  -0.239
+  433SER     HA 6124  -1.081   2.332  -0.146
+  433SER     CB 6125  -1.039   2.306  -0.354
+  433SER    HB1 6126  -0.929   2.313  -0.340
+  433SER    HB2 6127  -1.064   2.355  -0.451
+  433SER     OG 6128  -1.078   2.168  -0.360
+  433SER    HG1 6129  -1.018   2.131  -0.426
+  433SER      C 6130  -1.060   2.522  -0.235
+  433SER      O 6131  -1.117   2.610  -0.303
+  434GLY      N 6132  -0.952   2.549  -0.161
+  434GLY     HN 6133  -0.903   2.476  -0.112
+  434GLY     CA 6134  -0.886   2.679  -0.153
+  434GLY    HA1 6135  -0.918   2.727  -0.061
+  434GLY    HA2 6136  -0.910   2.737  -0.241
+  434GLY      C 6137  -0.733   2.661  -0.149
+  434GLY    OT1 6138  -0.679   2.585  -0.234
+  434GLY    OT2 6139  -0.666   2.723  -0.062
+    1BGLC    C1 6140  -0.706  -1.426   0.189
+    1BGLC    H1 6141  -0.691  -1.434   0.299
+    1BGLC    O1 6142  -0.753  -1.549   0.139
+    1BGLC   HO1 6143  -0.691  -1.613   0.175
+    1BGLC    C5 6144  -0.763  -1.201   0.224
+    1BGLC    H5 6145  -0.746  -1.222   0.333
+    1BGLC    O5 6146  -0.799  -1.324   0.157
+    1BGLC    C2 6147  -0.576  -1.389   0.119
+    1BGLC    H2 6148  -0.600  -1.378   0.011
+    1BGLC    O2 6149  -0.473  -1.490   0.129
+    1BGLC   HO2 6150  -0.395  -1.450   0.090
+    1BGLC    C3 6151  -0.524  -1.255   0.167
+    1BGLC    H3 6152  -0.490  -1.267   0.273
+    1BGLC    O3 6153  -0.411  -1.215   0.089
+    1BGLC   HO3 6154  -0.374  -1.134   0.128
+    1BGLC    C4 6155  -0.632  -1.148   0.166
+    1BGLC    H4 6156  -0.653  -1.116   0.062
+    1BGLC    O4 6157  -0.590  -1.038   0.247
+    1BGLC    C6 6158  -0.880  -1.105   0.218
+    1BGLC   H61 6159  -0.855  -1.011   0.274
+    1BGLC   H62 6160  -0.967  -1.150   0.271
+    1BGLC    O6 6161  -0.922  -1.072   0.085
+    1BGLC   HO6 6162  -0.990  -1.003   0.096
+    2BGLC    C1 6163  -0.523  -0.933   0.181
+    2BGLC    H1 6164  -0.555  -0.926   0.075
+    2BGLC    C5 6165  -0.309  -0.850   0.119
+    2BGLC    H5 6166  -0.350  -0.843   0.016
+    2BGLC    O5 6167  -0.381  -0.953   0.190
+    2BGLC    C2 6168  -0.556  -0.803   0.252
+    2BGLC    H2 6169  -0.521  -0.812   0.357
+    2BGLC    O2 6170  -0.698  -0.783   0.254
+    2BGLC   HO2 6171  -0.727  -0.789   0.347
+    2BGLC    C3 6172  -0.481  -0.687   0.188
+    2BGLC    H3 6173  -0.516  -0.678   0.082
+    2BGLC    O3 6174  -0.512  -0.566   0.255
+    2BGLC   HO3 6175  -0.484  -0.482   0.213
+    2BGLC    C4 6176  -0.332  -0.715   0.188
+    2BGLC    H4 6177  -0.295  -0.721   0.293
+    2BGLC    O4 6178  -0.257  -0.617   0.115
+    2BGLC    C6 6179  -0.164  -0.891   0.108
+    2BGLC   H61 6180  -0.116  -0.886   0.208
+    2BGLC   H62 6181  -0.109  -0.821   0.041
+    2BGLC    O6 6182  -0.149  -1.025   0.058
+    2BGLC   HO6 6183  -0.169  -1.026  -0.036
+    3BGLC    C1 6184  -0.204  -0.507   0.187
+    3BGLC    H1 6185  -0.270  -0.482   0.273
+    3BGLC    C5 6186  -0.098  -0.309   0.089
+    3BGLC    H5 6187  -0.089  -0.248   0.182
+    3BGLC    O5 6188  -0.212  -0.395   0.097
+    3BGLC    C2 6189  -0.066  -0.548   0.243
+    3BGLC    H2 6190  -0.044  -0.647   0.196
+    3BGLC    O2 6191  -0.069  -0.573   0.384
+    3BGLC   HO2 6192  -0.078  -0.488   0.432
+    3BGLC    C3 6193   0.052  -0.461   0.204
+    3BGLC    H3 6194   0.064  -0.380   0.281
+    3BGLC    O3 6195   0.174  -0.537   0.204
+    3BGLC   HO3 6196   0.233  -0.503   0.275
+    3BGLC    C4 6197   0.026  -0.394   0.072
+    3BGLC    H4 6198   0.003  -0.473  -0.004
+    3BGLC    O4 6199   0.134  -0.311   0.027
+    3BGLC    C6 6200  -0.125  -0.213  -0.026
+    3BGLC   H61 6201  -0.036  -0.151  -0.047
+    3BGLC   H62 6202  -0.207  -0.145   0.005
+    3BGLC    O6 6203  -0.165  -0.282  -0.145
+    3BGLC   HO6 6204  -0.243  -0.332  -0.116
+    4BGLC    C1 6205   0.197  -0.364  -0.087
+    4BGLC    H1 6206   0.121  -0.390  -0.165
+    4BGLC    C5 6207   0.327  -0.548  -0.162
+    4BGLC    H5 6208   0.244  -0.573  -0.232
+    4BGLC    O5 6209   0.277  -0.476  -0.050
+    4BGLC    C2 6210   0.295  -0.262  -0.140
+    4BGLC    H2 6211   0.368  -0.243  -0.058
+    4BGLC    O2 6212   0.232  -0.136  -0.172
+    4BGLC   HO2 6213   0.211  -0.093  -0.087
+    4BGLC    C3 6214   0.368  -0.321  -0.259
+    4BGLC    H3 6215   0.291  -0.336  -0.339
+    4BGLC    O3 6216   0.469  -0.234  -0.310
+    4BGLC   HO3 6217   0.485  -0.262  -0.401
+    4BGLC    C4 6218   0.428  -0.457  -0.230
+    4BGLC    H4 6219   0.514  -0.444  -0.160
+    4BGLC    O4 6220   0.472  -0.513  -0.355
+    4BGLC    C6 6221   0.385  -0.675  -0.105
+    4BGLC   H61 6222   0.461  -0.651  -0.027
+    4BGLC   H62 6223   0.435  -0.734  -0.185
+    4BGLC    O6 6224   0.284  -0.758  -0.046
+    4BGLC   HO6 6225   0.243  -0.707   0.026
+    5BGLC    C1 6226   0.604  -0.561  -0.357
+    5BGLC    H1 6227   0.613  -0.648  -0.289
+    5BGLC    C5 6228   0.831  -0.509  -0.321
+    5BGLC    H5 6229   0.835  -0.609  -0.272
+    5BGLC    O5 6230   0.697  -0.459  -0.319
+    5BGLC    C2 6231   0.632  -0.605  -0.501
+    5BGLC    H2 6232   0.607  -0.518  -0.567
+    5BGLC    O2 6233   0.549  -0.715  -0.541
+    5BGLC   HO2 6234   0.486  -0.690  -0.611
+    5BGLC    C3 6235   0.779  -0.638  -0.521
+    5BGLC    H3 6236   0.801  -0.731  -0.463
+    5BGLC    O3 6237   0.809  -0.668  -0.658
+    5BGLC   HO3 6238   0.749  -0.736  -0.689
+    5BGLC    C4 6239   0.866  -0.527  -0.468
+    5BGLC    H4 6240   0.842  -0.434  -0.524
+    5BGLC    O4 6241   1.006  -0.558  -0.479
+    5BGLC    C6 6242   0.925  -0.419  -0.242
+    5BGLC   H61 6243   0.919  -0.315  -0.283
+    5BGLC   H62 6244   1.029  -0.455  -0.255
+    5BGLC    O6 6245   0.895  -0.417  -0.102
+    5BGLC   HO6 6246   0.904  -0.507  -0.064
+    6BGLC    C1 6247   1.080  -0.454  -0.537
+    6BGLC    H1 6248   1.051  -0.357  -0.489
+    6BGLC    C5 6249   1.116  -0.331  -0.735
+    6BGLC    H5 6250   1.080  -0.243  -0.677
+    6BGLC    O5 6251   1.058  -0.449  -0.678
+    6BGLC    C2 6252   1.228  -0.479  -0.519
+    6BGLC    H2 6253   1.253  -0.571  -0.577
+    6BGLC    O2 6254   1.265  -0.501  -0.382
+    6BGLC   HO2 6255   1.326  -0.575  -0.380
+    6BGLC    C3 6256   1.307  -0.363  -0.578
+    6BGLC    H3 6257   1.279  -0.272  -0.521
+    6BGLC    O3 6258   1.449  -0.381  -0.566
+    6BGLC   HO3 6259   1.489  -0.298  -0.598
+    6BGLC    C4 6260   1.267  -0.341  -0.722
+    6BGLC    H4 6261   1.301  -0.427  -0.784
+    6BGLC    O4 6262   1.320  -0.218  -0.770
+    6BGLC    C6 6263   1.064  -0.313  -0.877
+    6BGLC   H61 6264   1.076  -0.206  -0.908
+    6BGLC   H62 6265   0.955  -0.336  -0.879
+    6BGLC    O6 6266   1.132  -0.394  -0.974
+    6BGLC   HO6 6267   1.212  -0.350  -1.004
+    7BGLC    C1 6268   1.439  -0.224  -0.842
+    7BGLC    H1 6269   1.446  -0.318  -0.902
+    7BGLC    C5 6270   1.676  -0.215  -0.824
+    7BGLC    H5 6271   1.678  -0.305  -0.891
+    7BGLC    O5 6272   1.551  -0.210  -0.753
+    7BGLC    C2 6273   1.433  -0.103  -0.933
+    7BGLC    H2 6274   1.407  -0.015  -0.869
+    7BGLC    O2 6275   1.329  -0.120  -1.031
+    7BGLC   HO2 6276   1.264  -0.048  -1.026
+    7BGLC    C3 6277   1.566  -0.073  -1.000
+    7BGLC    H3 6278   1.577  -0.147  -1.084
+    7BGLC    O3 6279   1.564   0.058  -1.055
+    7BGLC   HO3 6280   1.629   0.064  -1.126
+    7BGLC    C4 6281   1.685  -0.090  -0.910
+    7BGLC    H4 6282   1.692  -0.002  -0.841
+    7BGLC    O4 6283   1.804  -0.102  -0.990
+    7BGLC    C6 6284   1.789  -0.225  -0.724
+    7BGLC   H61 6285   1.780  -0.140  -0.652
+    7BGLC   H62 6286   1.887  -0.214  -0.777
+    7BGLC    O6 6287   1.791  -0.347  -0.649
+    7BGLC   HO6 6288   1.811  -0.421  -0.708
+    8BGLC    C1 6289   1.890   0.009  -0.988
+    8BGLC    H1 6290   1.909   0.041  -0.882
+    8BGLC    C5 6291   1.921   0.232  -1.061
+    8BGLC    H5 6292   1.942   0.255  -0.954
+    8BGLC    O5 6293   1.838   0.116  -1.067
+    8BGLC    C2 6294   2.020  -0.035  -1.053
+    8BGLC    H2 6295   1.995  -0.071  -1.155
+    8BGLC    O2 6296   2.079  -0.145  -0.981
+    8BGLC   HO2 6297   2.138  -0.193  -1.042
+    8BGLC    C3 6298   2.118   0.080  -1.066
+    8BGLC    H3 6299   2.150   0.110  -0.964
+    8BGLC    O3 6300   2.235   0.042  -1.139
+    8BGLC   HO3 6301   2.299   0.114  -1.132
+    8BGLC    C4 6302   2.053   0.201  -1.131
+    8BGLC    H4 6303   2.031   0.176  -1.238
+    8BGLC    O4 6304   2.138   0.315  -1.127
+    8BGLC   HO4 6305   2.114   0.375  -1.199
+    8BGLC    C6 6306   1.847   0.351  -1.118
+    8BGLC   H61 6307   1.901   0.444  -1.090
+    8BGLC   H62 6308   1.745   0.357  -1.073
+    8BGLC    O6 6309   1.838   0.347  -1.261
+    8BGLC   HO6 6310   1.773   0.279  -1.289
+    1TIP3   OH2 6311  -3.158  -3.372  -3.629
+    1TIP3    H1 6312  -3.161  -3.275  -3.620
+    1TIP3    H2 6313  -3.237  -3.387  -3.684
+    2TIP3   OH2 6314  -3.276  -3.423  -3.320
+    2TIP3    H1 6315  -3.276  -3.477  -3.240
+    2TIP3    H2 6316  -3.303  -3.487  -3.387
+    3TIP3   OH2 6317  -4.028  -3.463  -3.156
+    3TIP3    H1 6318  -4.033  -3.537  -3.092
+    3TIP3    H2 6319  -3.959  -3.408  -3.116
+    4TIP3   OH2 6320  -2.928  -3.166  -3.453
+    4TIP3    H1 6321  -2.954  -3.233  -3.387
+    4TIP3    H2 6322  -2.839  -3.141  -3.424
+    5TIP3   OH2 6323  -3.959  -3.001  -3.307
+    5TIP3    H1 6324  -3.988  -3.091  -3.332
+    5TIP3    H2 6325  -3.867  -3.017  -3.283
+    6TIP3   OH2 6326  -4.213  -3.615  -3.872
+    6TIP3    H1 6327  -4.231  -3.533  -3.823
+    6TIP3    H2 6328  -4.303  -3.641  -3.897
+    7TIP3   OH2 6329  -4.206  -3.429  -3.604
+    7TIP3    H1 6330  -4.188  -3.489  -3.530
+    7TIP3    H2 6331  -4.121  -3.384  -3.615
+    8TIP3   OH2 6332  -3.198  -2.738  -3.375
+    8TIP3    H1 6333  -3.220  -2.687  -3.419
+    8TIP3    H2 6334  -3.287  -2.757  -3.329
+    9TIP3   OH2 6335  -3.425  -3.171  -3.266
+    9TIP3    H1 6336  -3.392  -3.244  -3.319
+    9TIP3    H2 6337  -3.345  -3.155  -3.211
+   10TIP3   OH2 6338  -2.572  -4.016  -3.207
+   10TIP3    H1 6339  -2.537  -3.974  -3.127
+   10TIP3    H2 6340  -2.505  -3.987  -3.272
+   11TIP3   OH2 6341  -3.098  -3.740  -3.212
+   11TIP3    H1 6342  -3.078  -3.835  -3.209
+   11TIP3    H2 6343  -3.106  -3.725  -3.307
+   12TIP3   OH2 6344  -3.803  -3.941  -3.502
+   12TIP3    H1 6345  -3.784  -3.857  -3.547
+   12TIP3    H2 6346  -3.833  -3.995  -3.577
+   13TIP3   OH2 6347  -3.013  -3.923  -3.671
+   13TIP3    H1 6348  -2.953  -3.966  -3.607
+   13TIP3    H2 6349  -2.949  -3.878  -3.728
+   14TIP3   OH2 6350  -4.139  -3.663  -3.451
+   14TIP3    H1 6351  -4.080  -3.705  -3.386
+   14TIP3    H2 6352  -4.120  -3.717  -3.530
+   15TIP3   OH2 6353  -3.592  -3.526  -3.509
+   15TIP3    H1 6354  -3.521  -3.580  -3.469
+   15TIP3    H2 6355  -3.643  -3.593  -3.557
+   16TIP3   OH2 6356  -2.477  -3.848  -2.944
+   16TIP3    H1 6357  -2.554  -3.797  -2.974
+   16TIP3    H2 6358  -2.512  -3.888  -2.863
+   17TIP3   OH2 6359  -3.917  -4.052  -3.082
+   17TIP3    H1 6360  -3.957  -4.008  -3.159
+   17TIP3    H2 6361  -3.987  -4.035  -3.015
+   18TIP3   OH2 6362  -3.187  -3.111  -3.745
+   18TIP3    H1 6363  -3.198  -3.122  -3.840
+   18TIP3    H2 6364  -3.220  -3.022  -3.729
+   19TIP3   OH2 6365  -3.626  -3.270  -3.078
+   19TIP3    H1 6366  -3.698  -3.210  -3.050
+   19TIP3    H2 6367  -3.563  -3.208  -3.118
+   20TIP3   OH2 6368  -2.825  -4.012  -3.467
+   20TIP3    H1 6369  -2.871  -4.061  -3.398
+   20TIP3    H2 6370  -2.771  -3.950  -3.415
+   21TIP3   OH2 6371  -3.958  -3.851  -3.295
+   21TIP3    H1 6372  -3.894  -3.793  -3.250
+   21TIP3    H2 6373  -3.902  -3.888  -3.366
+   22TIP3   OH2 6374  -3.828  -3.084  -3.005
+   22TIP3    H1 6375  -3.829  -2.990  -3.034
+   22TIP3    H2 6376  -3.916  -3.089  -2.963
+   23TIP3   OH2 6377  -4.183  -3.120  -3.917
+   23TIP3    H1 6378  -4.261  -3.100  -3.973
+   23TIP3    H2 6379  -4.196  -3.058  -3.842
+   24TIP3   OH2 6380  -2.843  -2.960  -3.213
+   24TIP3    H1 6381  -2.938  -2.970  -3.236
+   24TIP3    H2 6382  -2.821  -2.885  -3.271
+   25TIP3   OH2 6383  -2.808  -4.110  -3.066
+   25TIP3    H1 6384  -2.888  -4.077  -3.110
+   25TIP3    H2 6385  -2.742  -4.097  -3.136
+   26TIP3   OH2 6386  -3.497   4.382  -3.359
+   26TIP3    H1 6387  -3.500   4.286  -3.355
+   26TIP3    H2 6388  -3.587   4.411  -3.334
+   27TIP3   OH2 6389  -3.010  -2.683  -3.610
+   27TIP3    H1 6390  -3.068  -2.749  -3.642
+   27TIP3    H2 6391  -2.942  -2.674  -3.682
+   28TIP3   OH2 6392  -2.838  -3.072  -3.688
+   28TIP3    H1 6393  -2.922  -3.051  -3.699
+   28TIP3    H2 6394  -2.835  -3.152  -3.647
+   29TIP3   OH2 6395  -2.722  -3.105  -2.871
+   29TIP3    H1 6396  -2.732  -3.169  -2.943
+   29TIP3    H2 6397  -2.710  -3.021  -2.921
+   30TIP3   OH2 6398  -3.292  -3.418  -3.906
+   30TIP3    H1 6399  -3.359  -3.356  -3.941
+   30TIP3    H2 6400  -3.219  -3.409  -3.969
+   31TIP3   OH2 6401  -3.275  -3.594  -4.204
+   31TIP3    H1 6402  -3.207  -3.562  -4.143
+   31TIP3    H2 6403  -3.221  -3.655  -4.259
+   32TIP3   OH2 6404  -2.546  -3.488  -3.077
+   32TIP3    H1 6405  -2.618  -3.423  -3.068
+   32TIP3    H2 6406  -2.498  -3.454  -3.155
+   33TIP3   OH2 6407  -2.955  -3.462  -3.797
+   33TIP3    H1 6408  -3.019  -3.431  -3.730
+   33TIP3    H2 6409  -2.883  -3.497  -3.741
+   34TIP3   OH2 6410  -2.961  -3.562  -2.911
+   34TIP3    H1 6411  -2.954  -3.482  -2.856
+   34TIP3    H2 6412  -3.024  -3.530  -2.977
+   35TIP3   OH2 6413  -3.780  -3.335  -3.618
+   35TIP3    H1 6414  -3.815  -3.380  -3.697
+   35TIP3    H2 6415  -3.718  -3.402  -3.583
+   36TIP3   OH2 6416  -3.644  -2.997  -3.345
+   36TIP3    H1 6417  -3.658  -3.042  -3.428
+   36TIP3    H2 6418  -3.566  -3.045  -3.308
+   37TIP3   OH2 6419  -3.728  -3.453  -3.269
+   37TIP3    H1 6420  -3.668  -3.453  -3.346
+   37TIP3    H2 6421  -3.686  -3.389  -3.208
+   38TIP3   OH2 6422  -3.129  -2.922  -3.197
+   38TIP3    H1 6423  -3.123  -2.847  -3.134
+   38TIP3    H2 6424  -3.152  -3.001  -3.151
+   39TIP3   OH2 6425  -3.642  -3.025  -2.784
+   39TIP3    H1 6426  -3.693  -2.958  -2.734
+   39TIP3    H2 6427  -3.707  -3.050  -2.853
+   40TIP3   OH2 6428  -3.040  -3.466  -4.062
+   40TIP3    H1 6429  -2.998  -3.453  -3.974
+   40TIP3    H2 6430  -2.972  -3.425  -4.120
+   41TIP3   OH2 6431  -3.956  -3.390  -2.868
+   41TIP3    H1 6432  -3.947  -3.329  -2.792
+   41TIP3    H2 6433  -4.053  -3.393  -2.878
+   42TIP3   OH2 6434  -3.290  -2.776  -3.693
+   42TIP3    H1 6435  -3.285  -2.806  -3.602
+   42TIP3    H2 6436  -3.377  -2.734  -3.699
+   43TIP3   OH2 6437  -3.835  -2.810  -2.700
+   43TIP3    H1 6438  -3.844  -2.804  -2.797
+   43TIP3    H2 6439  -3.927  -2.826  -2.671
+   44TIP3   OH2 6440  -2.717  -4.336  -4.128
+   44TIP3    H1 6441  -2.763  -4.332  -4.043
+   44TIP3    H2 6442  -2.651  -4.266  -4.114
+   45TIP3   OH2 6443  -3.893  -3.464  -3.866
+   45TIP3    H1 6444  -3.919  -3.387  -3.919
+   45TIP3    H2 6445  -3.963  -3.527  -3.887
+   46TIP3   OH2 6446  -2.534  -2.901  -4.310
+   46TIP3    H1 6447  -2.508  -2.811  -4.287
+   46TIP3    H2 6448  -2.489  -2.953  -4.241
+   47TIP3   OH2 6449  -4.266  -3.181  -3.010
+   47TIP3    H1 6450  -4.288  -3.214  -3.099
+   47TIP3    H2 6451  -4.307  -3.249  -2.954
+   48TIP3   OH2 6452  -4.281  -2.902  -3.313
+   48TIP3    H1 6453  -4.196  -2.942  -3.293
+   48TIP3    H2 6454  -4.301  -2.852  -3.233
+   49TIP3   OH2 6455  -2.443  -2.842  -2.720
+   49TIP3    H1 6456  -2.454  -2.938  -2.737
+   49TIP3    H2 6457  -2.533  -2.818  -2.691
+   50TIP3   OH2 6458  -3.378  -2.919  -2.841
+   50TIP3    H1 6459  -3.369  -2.837  -2.786
+   50TIP3    H2 6460  -3.468  -2.949  -2.816
+   51TIP3   OH2 6461  -3.973  -2.628  -3.679
+   51TIP3    H1 6462  -3.954  -2.667  -3.591
+   51TIP3    H2 6463  -4.053  -2.678  -3.702
+   52TIP3   OH2 6464  -2.963  -2.857  -3.893
+   52TIP3    H1 6465  -2.950  -2.933  -3.951
+   52TIP3    H2 6466  -2.890  -2.871  -3.832
+   53TIP3   OH2 6467  -3.216  -2.477  -3.767
+   53TIP3    H1 6468  -3.255  -2.547  -3.812
+   53TIP3    H2 6469  -3.127  -2.517  -3.743
+   54TIP3   OH2 6470  -2.763  -3.709  -2.680
+   54TIP3    H1 6471  -2.814  -3.669  -2.752
+   54TIP3    H2 6472  -2.756  -3.801  -2.709
+   55TIP3   OH2 6473  -4.070  -3.041  -2.864
+   55TIP3    H1 6474  -4.042  -3.097  -2.789
+   55TIP3    H2 6475  -4.147  -3.091  -2.902
+   56TIP3   OH2 6476  -3.752  -4.222  -3.273
+   56TIP3    H1 6477  -3.838  -4.230  -3.317
+   56TIP3    H2 6478  -3.764  -4.135  -3.230
+   57TIP3   OH2 6479  -3.291  -4.261  -2.917
+   57TIP3    H1 6480  -3.270  -4.310  -2.836
+   57TIP3    H2 6481  -3.386  -4.278  -2.925
+   58TIP3   OH2 6482  -2.995  -3.863  -2.876
+   58TIP3    H1 6483  -3.051  -3.875  -2.797
+   58TIP3    H2 6484  -2.999  -3.767  -2.892
+   59TIP3   OH2 6485  -2.829  -3.383  -4.248
+   59TIP3    H1 6486  -2.846  -3.411  -4.338
+   59TIP3    H2 6487  -2.779  -3.301  -4.262
+   60TIP3   OH2 6488  -3.329  -3.997  -4.213
+   60TIP3    H1 6489  -3.384  -3.996  -4.133
+   60TIP3    H2 6490  -3.378  -4.062  -4.266
+   61TIP3   OH2 6491  -3.762  -3.715  -3.148
+   61TIP3    H1 6492  -3.820  -3.703  -3.072
+   61TIP3    H2 6493  -3.755  -3.624  -3.184
+   62TIP3   OH2 6494  -3.769  -3.709  -3.659
+   62TIP3    H1 6495  -3.865  -3.716  -3.677
+   62TIP3    H2 6496  -3.733  -3.727  -3.748
+   63TIP3   OH2 6497  -3.207  -3.657  -3.787
+   63TIP3    H1 6498  -3.245  -3.573  -3.819
+   63TIP3    H2 6499  -3.135  -3.670  -3.850
+   64TIP3   OH2 6500  -3.287  -3.632  -2.650
+   64TIP3    H1 6501  -3.338  -3.706  -2.611
+   64TIP3    H2 6502  -3.200  -3.642  -2.606
+   65TIP3   OH2 6503  -3.120  -3.712  -3.505
+   65TIP3    H1 6504  -3.149  -3.655  -3.579
+   65TIP3    H2 6505  -3.100  -3.793  -3.555
+   66TIP3   OH2 6506  -4.026  -3.697  -2.965
+   66TIP3    H1 6507  -3.995  -3.662  -2.881
+   66TIP3    H2 6508  -4.052  -3.788  -2.941
+   67TIP3   OH2 6509  -3.653  -3.961  -4.315
+   67TIP3    H1 6510  -3.685  -3.987  -4.227
+   67TIP3    H2 6511  -3.727  -3.908  -4.348
+   68TIP3   OH2 6512  -4.321  -3.942  -3.601
+   68TIP3    H1 6513  -4.303  -3.970  -3.510
+   68TIP3    H2 6514  -4.287  -4.015  -3.653
+   69TIP3   OH2 6515  -4.206  -3.894  -4.021
+   69TIP3    H1 6516  -4.147  -3.868  -4.093
+   69TIP3    H2 6517  -4.289  -3.851  -4.045
+   70TIP3   OH2 6518  -3.215  -3.544  -3.060
+   70TIP3    H1 6519  -3.168  -3.616  -3.109
+   70TIP3    H2 6520  -3.243  -3.589  -2.980
+   71TIP3   OH2 6521  -3.490  -3.941  -3.560
+   71TIP3    H1 6522  -3.583  -3.961  -3.539
+   71TIP3    H2 6523  -3.445  -3.973  -3.480
+   72TIP3   OH2 6524  -4.040  -3.822  -3.695
+   72TIP3    H1 6525  -4.115  -3.808  -3.755
+   72TIP3    H2 6526  -4.003  -3.906  -3.730
+   73TIP3   OH2 6527  -3.674  -3.786  -3.921
+   73TIP3    H1 6528  -3.577  -3.784  -3.917
+   73TIP3    H2 6529  -3.695  -3.727  -3.996
+   74TIP3   OH2 6530  -3.056  -4.032  -3.256
+   74TIP3    H1 6531  -3.119  -4.035  -3.181
+   74TIP3    H2 6532  -3.114  -4.063  -3.327
+   75TIP3   OH2 6533  -3.814  -3.672  -4.160
+   75TIP3    H1 6534  -3.875  -3.722  -4.216
+   75TIP3    H2 6535  -3.738  -3.657  -4.219
+   76TIP3   OH2 6536  -2.751  -2.457  -2.590
+   76TIP3    H1 6537  -2.725  -2.411  -2.672
+   76TIP3    H2 6538  -2.685  -2.424  -2.528
+   77TIP3   OH2 6539  -3.953  -3.197  -2.647
+   77TIP3    H1 6540  -3.890  -3.192  -2.572
+   77TIP3    H2 6541  -4.037  -3.184  -2.598
+   78TIP3   OH2 6542  -3.388  -3.693  -3.375
+   78TIP3    H1 6543  -3.317  -3.738  -3.422
+   78TIP3    H2 6544  -3.405  -3.756  -3.301
+   79TIP3   OH2 6545  -3.877  -4.060  -3.754
+   79TIP3    H1 6546  -3.921  -4.146  -3.742
+   79TIP3    H2 6547  -3.791  -4.085  -3.790
+   80TIP3   OH2 6548  -3.493  -3.849  -3.149
+   80TIP3    H1 6549  -3.568  -3.788  -3.149
+   80TIP3    H2 6550  -3.442  -3.823  -3.069
+   81TIP3   OH2 6551  -3.477  -3.208  -3.961
+   81TIP3    H1 6552  -3.553  -3.260  -3.994
+   81TIP3    H2 6553  -3.495  -3.205  -3.864
+   82TIP3   OH2 6554  -2.754  -3.294  -3.087
+   82TIP3    H1 6555  -2.706  -3.239  -3.152
+   82TIP3    H2 6556  -2.841  -3.305  -3.130
+   83TIP3   OH2 6557  -3.061  -3.931  -4.189
+   83TIP3    H1 6558  -3.159  -3.936  -4.186
+   83TIP3    H2 6559  -3.039  -3.859  -4.127
+   84TIP3   OH2 6560  -3.316  -3.210  -2.829
+   84TIP3    H1 6561  -3.341  -3.240  -2.741
+   84TIP3    H2 6562  -3.344  -3.116  -2.828
+   85TIP3   OH2 6563  -3.000  -3.750  -3.990
+   85TIP3    H1 6564  -2.915  -3.765  -3.943
+   85TIP3    H2 6565  -2.986  -3.662  -4.028
+   86TIP3   OH2 6566  -3.978  -3.280  -3.391
+   86TIP3    H1 6567  -3.908  -3.286  -3.459
+   86TIP3    H2 6568  -3.962  -3.360  -3.338
+   87TIP3   OH2 6569  -3.234  -3.072  -4.064
+   87TIP3    H1 6570  -3.266  -2.987  -4.030
+   87TIP3    H2 6571  -3.309  -3.130  -4.041
+   88TIP3   OH2 6572  -4.239  -3.426  -2.823
+   88TIP3    H1 6573  -4.231  -3.492  -2.752
+   88TIP3    H2 6574  -4.286  -3.476  -2.893
+   89TIP3   OH2 6575  -3.541  -3.494  -2.653
+   89TIP3    H1 6576  -3.574  -3.518  -2.741
+   89TIP3    H2 6577  -3.447  -3.520  -2.661
+   90TIP3   OH2 6578  -3.088  -2.950  -2.881
+   90TIP3    H1 6579  -3.185  -2.940  -2.886
+   90TIP3    H2 6580  -3.070  -2.924  -2.790
+   91TIP3   OH2 6581  -2.530  -3.736  -4.001
+   91TIP3    H1 6582  -2.594  -3.756  -4.071
+   91TIP3    H2 6583  -2.518  -3.641  -4.018
+   92TIP3   OH2 6584  -2.489  -3.141  -2.724
+   92TIP3    H1 6585  -2.583  -3.118  -2.743
+   92TIP3    H2 6586  -2.457  -3.158  -2.814
+   93TIP3   OH2 6587  -2.725  -2.870  -4.054
+   93TIP3    H1 6588  -2.810  -2.845  -4.091
+   93TIP3    H2 6589  -2.663  -2.813  -4.100
+   94TIP3   OH2 6590  -2.993  -3.359  -3.249
+   94TIP3    H1 6591  -3.086  -3.372  -3.275
+   94TIP3    H2 6592  -2.950  -3.432  -3.299
+   95TIP3   OH2 6593  -3.726  -2.942  -3.663
+   95TIP3    H1 6594  -3.688  -2.854  -3.656
+   95TIP3    H2 6595  -3.821  -2.922  -3.672
+   96TIP3   OH2 6596  -4.149  -3.463  -4.168
+   96TIP3    H1 6597  -4.078  -3.400  -4.143
+   96TIP3    H2 6598  -4.222  -3.401  -4.183
+   97TIP3   OH2 6599  -3.544  -3.170  -3.690
+   97TIP3    H1 6600  -3.581  -3.082  -3.676
+   97TIP3    H2 6601  -3.613  -3.226  -3.648
+   98TIP3   OH2 6602  -3.528  -2.754  -3.056
+   98TIP3    H1 6603  -3.480  -2.673  -3.078
+   98TIP3    H2 6604  -3.466  -2.798  -2.995
+   99TIP3   OH2 6605  -3.671  -2.617  -3.737
+   99TIP3    H1 6606  -3.765  -2.636  -3.724
+   99TIP3    H2 6607  -3.652  -2.562  -3.660
+  100TIP3   OH2 6608  -3.187  -3.174  -3.099
+  100TIP3    H1 6609  -3.213  -3.200  -3.009
+  100TIP3    H2 6610  -3.112  -3.233  -3.116
+  101TIP3   OH2 6611  -3.007  -3.064  -4.235
+  101TIP3    H1 6612  -2.998  -3.160  -4.247
+  101TIP3    H2 6613  -3.055  -3.060  -4.151
+  102TIP3   OH2 6614  -2.892  -2.715  -2.858
+  102TIP3    H1 6615  -2.967  -2.761  -2.901
+  102TIP3    H2 6616  -2.882  -2.636  -2.914
+  103TIP3   OH2 6617  -2.485  -2.602  -4.152
+  103TIP3    H1 6618  -2.410  -2.539  -4.148
+  103TIP3    H2 6619  -2.561  -2.540  -4.140
+  104TIP3   OH2 6620  -4.106  -3.957  -2.889
+  104TIP3    H1 6621  -4.196  -3.924  -2.906
+  104TIP3    H2 6622  -4.124  -4.045  -2.849
+  105TIP3   OH2 6623  -2.881  -3.184  -3.972
+  105TIP3    H1 6624  -2.887  -3.253  -3.905
+  105TIP3    H2 6625  -2.785  -3.166  -3.972
+  106TIP3   OH2 6626  -4.128  -2.800  -3.046
+  106TIP3    H1 6627  -4.108  -2.894  -3.033
+  106TIP3    H2 6628  -4.097  -2.764  -2.962
+  107TIP3   OH2 6629  -3.518  -2.935  -4.319
+  107TIP3    H1 6630  -3.479  -3.017  -4.354
+  107TIP3    H2 6631  -3.578  -2.971  -4.251
+  108TIP3   OH2 6632  -3.665  -2.984  -4.076
+  108TIP3    H1 6633  -3.616  -3.042  -4.015
+  108TIP3    H2 6634  -3.643  -2.895  -4.043
+  109TIP3   OH2 6635  -3.985  -3.247  -4.041
+  109TIP3    H1 6636  -4.058  -3.208  -3.988
+  109TIP3    H2 6637  -3.939  -3.166  -4.065
+  110TIP3   OH2 6638  -3.216  -4.007  -3.026
+  110TIP3    H1 6639  -3.152  -3.980  -2.959
+  110TIP3    H2 6640  -3.250  -4.092  -2.992
+  111TIP3   OH2 6641  -3.137  -4.049  -3.922
+  111TIP3    H1 6642  -3.118  -3.990  -3.995
+  111TIP3    H2 6643  -3.100  -4.001  -3.846
+  112TIP3   OH2 6644  -3.369  -2.821  -4.015
+  112TIP3    H1 6645  -3.455  -2.776  -4.010
+  112TIP3    H2 6646  -3.322  -2.768  -4.081
+  113TIP3   OH2 6647  -3.406  -3.851  -3.813
+  113TIP3    H1 6648  -3.330  -3.790  -3.801
+  113TIP3    H2 6649  -3.433  -3.867  -3.720
+  114TIP3   OH2 6650  -3.370  -3.762  -2.899
+  114TIP3    H1 6651  -3.361  -3.710  -2.817
+  114TIP3    H2 6652  -3.312  -3.837  -2.883
+  115TIP3   OH2 6653  -3.328  -4.171  -3.714
+  115TIP3    H1 6654  -3.361  -4.097  -3.661
+  115TIP3    H2 6655  -3.274  -4.126  -3.782
+  116TIP3   OH2 6656  -3.638  -2.705  -4.020
+  116TIP3    H1 6657  -3.653  -2.623  -4.069
+  116TIP3    H2 6658  -3.667  -2.680  -3.930
+  117TIP3   OH2 6659  -3.775  -4.044  -4.072
+  117TIP3    H1 6660  -3.777  -3.965  -4.015
+  117TIP3    H2 6661  -3.690  -4.083  -4.043
+  118TIP3   OH2 6662  -2.732  -3.962  -2.818
+  118TIP3    H1 6663  -2.828  -3.953  -2.828
+  118TIP3    H2 6664  -2.710  -3.989  -2.908
+  119TIP3   OH2 6665  -2.890  -3.574  -3.409
+  119TIP3    H1 6666  -2.971  -3.620  -3.435
+  119TIP3    H2 6667  -2.840  -3.644  -3.362
+  120TIP3   OH2 6668  -3.931  -2.950  -4.155
+  120TIP3    H1 6669  -3.845  -2.934  -4.113
+  120TIP3    H2 6670  -3.903  -3.000  -4.234
+  121TIP3   OH2 6671  -4.098  -3.730  -4.268
+  121TIP3    H1 6672  -4.103  -3.640  -4.229
+  121TIP3    H2 6673  -4.191  -3.750  -4.288
+  122TIP3   OH2 6674  -2.791  -2.682  -3.269
+  122TIP3    H1 6675  -2.798  -2.601  -3.322
+  122TIP3    H2 6676  -2.698  -2.679  -3.242
+  123TIP3   OH2 6677  -4.080  -4.236  -3.352
+  123TIP3    H1 6678  -4.062  -4.250  -3.447
+  123TIP3    H2 6679  -4.098  -4.326  -3.324
+  124TIP3   OH2 6680  -4.133  -2.875  -3.744
+  124TIP3    H1 6681  -4.227  -2.850  -3.736
+  124TIP3    H2 6682  -4.109  -2.841  -3.831
+  125TIP3   OH2 6683  -4.214  -2.605  -2.623
+  125TIP3    H1 6684  -4.151  -2.604  -2.549
+  125TIP3    H2 6685  -4.216  -2.701  -2.638
+  126TIP3   OH2 6686  -3.728  -2.692  -2.451
+  126TIP3    H1 6687  -3.658  -2.755  -2.429
+  126TIP3    H2 6688  -3.750  -2.719  -2.541
+  127TIP3   OH2 6689  -3.307  -2.754  -4.318
+  127TIP3    H1 6690  -3.388  -2.809  -4.322
+  127TIP3    H2 6691  -3.242  -2.820  -4.348
+  128TIP3   OH2 6692  -3.080  -2.864  -2.592
+  128TIP3    H1 6693  -3.117  -2.946  -2.554
+  128TIP3    H2 6694  -3.010  -2.842  -2.527
+  129TIP3   OH2 6695  -2.791  -2.246   3.901
+  129TIP3    H1 6696  -2.858  -2.280   3.961
+  129TIP3    H2 6697  -2.712  -2.250   3.957
+  130TIP3   OH2 6698  -4.200  -3.201  -2.560
+  130TIP3    H1 6699  -4.190  -3.288  -2.601
+  130TIP3    H2 6700  -4.286  -3.172  -2.593
+  131TIP3   OH2 6701  -3.772  -3.177  -4.311
+  131TIP3    H1 6702  -3.763  -3.245  -4.243
+  131TIP3    H2 6703  -3.702  -3.200  -4.373
+  132TIP3   OH2 6704  -3.540  -3.216  -2.582
+  132TIP3    H1 6705  -3.569  -3.183  -2.669
+  132TIP3    H2 6706  -3.531  -3.312  -2.597
+  133TIP3   OH2 6707  -3.259  -3.076  -4.351
+  133TIP3    H1 6708  -3.229  -3.058  -4.260
+  133TIP3    H2 6709  -3.192  -3.140  -4.380
+  134TIP3   OH2 6710  -3.002  -3.254  -2.845
+  134TIP3    H1 6711  -2.923  -3.201  -2.863
+  134TIP3    H2 6712  -3.070  -3.185  -2.845
+  135TIP3   OH2 6713  -4.135  -3.533  -2.583
+  135TIP3    H1 6714  -4.053  -3.584  -2.597
+  135TIP3    H2 6715  -4.121  -3.498  -2.494
+  136TIP3   OH2 6716  -3.674  -3.383  -4.090
+  136TIP3    H1 6717  -3.735  -3.429  -4.030
+  136TIP3    H2 6718  -3.639  -3.457  -4.143
+  137TIP3   OH2 6719  -3.751  -3.609  -2.857
+  137TIP3    H1 6720  -3.804  -3.529  -2.838
+  137TIP3    H2 6721  -3.684  -3.573  -2.917
+  138TIP3   OH2 6722  -3.554  -3.572  -4.277
+  138TIP3    H1 6723  -3.547  -3.601  -4.369
+  138TIP3    H2 6724  -3.459  -3.576  -4.251
+  139TIP3   OH2 6725  -3.220  -3.338  -2.502
+  139TIP3    H1 6726  -3.129  -3.355  -2.530
+  139TIP3    H2 6727  -3.243  -3.421  -2.458
+  140TIP3   OH2 6728  -3.694  -3.881  -2.745
+  140TIP3    H1 6729  -3.682  -3.944  -2.818
+  140TIP3    H2 6730  -3.711  -3.799  -2.793
+  141TIP3   OH2 6731  -3.651  -4.038  -3.003
+  141TIP3    H1 6732  -3.599  -3.982  -3.064
+  141TIP3    H2 6733  -3.743  -4.026  -3.036
+  142TIP3   OH2 6734  -3.503  -3.489  -2.957
+  142TIP3    H1 6735  -3.418  -3.497  -3.003
+  142TIP3    H2 6736  -3.532  -3.400  -2.987
+  143TIP3   OH2 6737  -3.045  -3.694  -2.480
+  143TIP3    H1 6738  -3.024  -3.786  -2.462
+  143TIP3    H2 6739  -2.957  -3.654  -2.482
+  144TIP3   OH2 6740  -2.947  -3.415  -2.631
+  144TIP3    H1 6741  -2.981  -3.353  -2.698
+  144TIP3    H2 6742  -2.857  -3.430  -2.666
+  145TIP3   OH2 6743  -3.882  -3.691  -2.566
+  145TIP3    H1 6744  -3.928  -3.777  -2.565
+  145TIP3    H2 6745  -3.797  -3.715  -2.607
+  146TIP3   OH2 6746  -3.605  -4.277  -2.879
+  146TIP3    H1 6747  -3.592  -4.187  -2.915
+  146TIP3    H2 6748  -3.697  -4.291  -2.906
+  147TIP3   OH2 6749  -3.457  -3.844  -2.586
+  147TIP3    H1 6750  -3.487  -3.871  -2.497
+  147TIP3    H2 6751  -3.538  -3.864  -2.636
+  148TIP3   OH2 6752  -3.198  -3.945  -2.687
+  148TIP3    H1 6753  -3.286  -3.931  -2.649
+  148TIP3    H2 6754  -3.160  -4.010  -2.625
+  149TIP3   OH2 6755  -3.029  -4.136  -2.520
+  149TIP3    H1 6756  -3.038  -4.224  -2.480
+  149TIP3    H2 6757  -3.039  -4.077  -2.443
+  150TIP3   OH2 6758  -4.004  -3.951  -2.577
+  150TIP3    H1 6759  -4.023  -4.018  -2.645
+  150TIP3    H2 6760  -4.039  -3.993  -2.497
+  151TIP3   OH2 6761  -3.495  -4.147  -2.474
+  151TIP3    H1 6762  -3.517  -4.229  -2.522
+  151TIP3    H2 6763  -3.580  -4.100  -2.471
+  152TIP3   OH2 6764  -3.572  -2.404  -4.156
+  152TIP3    H1 6765  -3.493  -2.456  -4.176
+  152TIP3    H2 6766  -3.615  -2.392  -4.242
+  153TIP3   OH2 6767  -4.189  -3.010  -4.239
+  153TIP3    H1 6768  -4.105  -2.996  -4.191
+  153TIP3    H2 6769  -4.177  -3.099  -4.275
+  154TIP3   OH2 6770  -4.271  -2.690  -3.524
+  154TIP3    H1 6771  -4.276  -2.780  -3.486
+  154TIP3    H2 6772  -4.244  -2.640  -3.445
+  155TIP3   OH2 6773  -2.516  -2.567  -3.219
+  155TIP3    H1 6774  -2.499  -2.575  -3.124
+  155TIP3    H2 6775  -2.428  -2.544  -3.252
+  156TIP3   OH2 6776  -2.526  -2.628  -2.933
+  156TIP3    H1 6777  -2.578  -2.704  -2.966
+  156TIP3    H2 6778  -2.471  -2.673  -2.867
+  157TIP3   OH2 6779  -2.726  -3.085  -2.503
+  157TIP3    H1 6780  -2.814  -3.077  -2.462
+  157TIP3    H2 6781  -2.681  -3.005  -2.472
+  158TIP3   OH2 6782  -2.578  -3.217  -3.939
+  158TIP3    H1 6783  -2.495  -3.169  -3.922
+  158TIP3    H2 6784  -2.586  -3.268  -3.856
+  159TIP3   OH2 6785  -2.543  -3.399  -3.728
+  159TIP3    H1 6786  -2.606  -3.459  -3.684
+  159TIP3    H2 6787  -2.471  -3.388  -3.662
+  160TIP3   OH2 6788  -2.571  -3.150  -3.239
+  160TIP3    H1 6789  -2.503  -3.197  -3.289
+  160TIP3    H2 6790  -2.553  -3.057  -3.263
+  161TIP3   OH2 6791  -2.693  -2.853  -3.008
+  161TIP3    H1 6792  -2.767  -2.816  -2.956
+  161TIP3    H2 6793  -2.741  -2.892  -3.084
+  162TIP3   OH2 6794  -2.516  -3.435  -4.107
+  162TIP3    H1 6795  -2.569  -3.397  -4.178
+  162TIP3    H2 6796  -2.530  -3.366  -4.039
+  163TIP3   OH2 6797  -2.695  -3.696  -4.221
+  163TIP3    H1 6798  -2.656  -3.621  -4.270
+  163TIP3    H2 6799  -2.647  -3.770  -4.259
+  164TIP3   OH2 6800  -2.746  -3.585  -3.648
+  164TIP3    H1 6801  -2.754  -3.679  -3.668
+  164TIP3    H2 6802  -2.783  -3.579  -3.558
+  165TIP3   OH2 6803  -4.257  -3.336  -3.254
+  165TIP3    H1 6804  -4.222  -3.313  -3.341
+  165TIP3    H2 6805  -4.177  -3.377  -3.213
+  166TIP3   OH2 6806  -2.686  -3.393  -2.736
+  166TIP3    H1 6807  -2.613  -3.455  -2.718
+  166TIP3    H2 6808  -2.640  -3.310  -2.754
+  167TIP3   OH2 6809  -2.531  -3.583  -2.615
+  167TIP3    H1 6810  -2.610  -3.637  -2.637
+  167TIP3    H2 6811  -2.461  -3.651  -2.616
+  168TIP3   OH2 6812  -2.767  -4.028  -4.341
+  168TIP3    H1 6813  -2.708  -4.042  -4.266
+  168TIP3    H2 6814  -2.855  -4.045  -4.306
+  169TIP3   OH2 6815  -2.769  -3.826  -3.835
+  169TIP3    H1 6816  -2.749  -3.922  -3.827
+  169TIP3    H2 6817  -2.685  -3.793  -3.872
+  170TIP3   OH2 6818  -2.737  -3.772  -3.292
+  170TIP3    H1 6819  -2.640  -3.767  -3.293
+  170TIP3    H2 6820  -2.752  -3.776  -3.196
+  171TIP3   OH2 6821  -2.723  -3.706  -3.007
+  171TIP3    H1 6822  -2.807  -3.664  -2.980
+  171TIP3    H2 6823  -2.668  -3.629  -3.028
+  172TIP3   OH2 6824  -4.282  -3.838  -2.627
+  172TIP3    H1 6825  -4.199  -3.880  -2.654
+  172TIP3    H2 6826  -4.346  -3.911  -2.626
+  173TIP3   OH2 6827  -2.508  -4.278  -2.429
+  173TIP3    H1 6828  -2.453  -4.354  -2.450
+  173TIP3    H2 6829  -2.503  -4.218  -2.507
+  174TIP3   OH2 6830  -2.734  -4.097  -3.822
+  174TIP3    H1 6831  -2.707  -4.147  -3.744
+  174TIP3    H2 6832  -2.795  -4.160  -3.865
+  175TIP3   OH2 6833  -4.194  -3.988  -3.337
+  175TIP3    H1 6834  -4.162  -4.080  -3.330
+  175TIP3    H2 6835  -4.114  -3.937  -3.314
+  176TIP3   OH2 6836  -4.334  -3.727  -3.245
+  176TIP3    H1 6837  -4.294  -3.777  -3.318
+  176TIP3    H2 6838  -4.316  -3.636  -3.272
+  177TIP3   OH2 6839  -2.527  -4.111  -2.645
+  177TIP3    H1 6840  -2.612  -4.065  -2.636
+  177TIP3    H2 6841  -2.537  -4.147  -2.735
+  178TIP3   OH2 6842  -2.515  -4.072  -4.175
+  178TIP3    H1 6843  -2.488  -4.146  -4.231
+  178TIP3    H2 6844  -2.434  -4.019  -4.171
+  179TIP3   OH2 6845  -4.315  -4.105  -3.887
+  179TIP3    H1 6846  -4.398  -4.074  -3.926
+  179TIP3    H2 6847  -4.253  -4.038  -3.924
+  180TIP3   OH2 6848  -2.772  -2.560  -3.678
+  180TIP3    H1 6849  -2.696  -2.565  -3.612
+  180TIP3    H2 6850  -2.843  -2.523  -3.618
+  181TIP3   OH2 6851  -4.292  -4.164  -3.053
+  181TIP3    H1 6852  -4.351  -4.224  -3.002
+  181TIP3    H2 6853  -4.329  -4.166  -3.142
+  182TIP3   OH2 6854  -4.117  -2.863  -2.589
+  182TIP3    H1 6855  -4.171  -2.924  -2.640
+  182TIP3    H2 6856  -4.132  -2.896  -2.498
+  183TIP3   OH2 6857  -3.803  -2.798  -2.998
+  183TIP3    H1 6858  -3.834  -2.714  -3.035
+  183TIP3    H2 6859  -3.707  -2.789  -3.016
+  184TIP3   OH2 6860  -3.350  -2.670  -2.700
+  184TIP3    H1 6861  -3.339  -2.685  -2.604
+  184TIP3    H2 6862  -3.269  -2.621  -2.723
+  185TIP3   OH2 6863  -3.118  -2.523  -2.776
+  185TIP3    H1 6864  -3.050  -2.593  -2.788
+  185TIP3    H2 6865  -3.091  -2.486  -2.690
+  186TIP3   OH2 6866  -2.665  -4.275  -2.854
+  186TIP3    H1 6867  -2.716  -4.215  -2.911
+  186TIP3    H2 6868  -2.641  -4.343  -2.919
+  187TIP3   OH2 6869  -4.070  -2.492  -2.975
+  187TIP3    H1 6870  -4.139  -2.442  -3.022
+  187TIP3    H2 6871  -4.100  -2.483  -2.884
+  188TIP3   OH2 6872  -3.820  -2.526  -3.111
+  188TIP3    H1 6873  -3.905  -2.506  -3.068
+  188TIP3    H2 6874  -3.816  -2.459  -3.181
+  189TIP3   OH2 6875  -3.353  -2.400  -3.183
+  189TIP3    H1 6876  -3.395  -2.350  -3.166
+  189TIP3    H2 6877  -3.303  -2.439  -3.109
+  190TIP3   OH2 6878  -3.109  -2.650  -3.052
+  190TIP3    H1 6879  -3.181  -2.629  -3.114
+  190TIP3    H2 6880  -3.047  -2.578  -3.066
+  191TIP3   OH2 6881  -2.859  -2.480  -3.046
+  191TIP3    H1 6882  -2.858  -2.385  -3.068
+  191TIP3    H2 6883  -2.826  -2.519  -3.129
+  192TIP3   OH2 6884  -4.125  -2.616  -3.276
+  192TIP3    H1 6885  -4.135  -2.661  -3.190
+  192TIP3    H2 6886  -4.049  -2.664  -3.313
+  193TIP3   OH2 6887  -3.907  -2.746  -3.431
+  193TIP3    H1 6888  -3.926  -2.836  -3.398
+  193TIP3    H2 6889  -3.819  -2.728  -3.390
+  194TIP3   OH2 6890  -3.643  -2.718  -3.340
+  194TIP3    H1 6891  -3.616  -2.810  -3.352
+  194TIP3    H2 6892  -3.623  -2.702  -3.247
+  195TIP3   OH2 6893  -3.301  -4.112  -3.412
+  195TIP3    H1 6894  -3.362  -4.183  -3.383
+  195TIP3    H2 6895  -3.239  -4.162  -3.468
+  196TIP3   OH2 6896  -2.771  -4.329  -3.365
+  196TIP3    H1 6897  -2.712  -4.290  -3.430
+  196TIP3    H2 6898  -2.859  -4.305  -3.398
+  197TIP3   OH2 6899  -2.578  -4.223  -3.584
+  197TIP3    H1 6900  -2.522  -4.247  -3.658
+  197TIP3    H2 6901  -2.557  -4.129  -3.570
+  198TIP3   OH2 6902  -4.076  -4.279  -3.668
+  198TIP3    H1 6903  -4.158  -4.313  -3.705
+  198TIP3    H2 6904  -4.025  -4.359  -3.651
+  199TIP3   OH2 6905  -4.198  -4.290  -4.075
+  199TIP3    H1 6906  -4.164  -4.223  -4.138
+  199TIP3    H2 6907  -4.251  -4.234  -4.015
+  200TIP3   OH2 6908  -3.613  -4.222  -3.650
+  200TIP3    H1 6909  -3.520  -4.233  -3.671
+  200TIP3    H2 6910  -3.633  -4.296  -3.592
+  201TIP3   OH2 6911  -3.061  -4.264  -3.516
+  201TIP3    H1 6912  -3.026  -4.262  -3.606
+  201TIP3    H2 6913  -3.072  -4.359  -3.499
+  202TIP3   OH2 6914  -2.953  -4.271  -3.915
+  202TIP3    H1 6915  -3.027  -4.215  -3.944
+  202TIP3    H2 6916  -2.990  -4.360  -3.920
+  203TIP3   OH2 6917  -4.179  -2.688  -3.987
+  203TIP3    H1 6918  -4.260  -2.707  -4.034
+  203TIP3    H2 6919  -4.186  -2.593  -3.971
+  204TIP3   OH2 6920  -4.012  -4.111  -4.224
+  204TIP3    H1 6921  -3.957  -4.160  -4.287
+  204TIP3    H2 6922  -3.944  -4.063  -4.174
+  205TIP3   OH2 6923  -3.494  -4.057  -3.985
+  205TIP3    H1 6924  -3.482  -4.142  -3.938
+  205TIP3    H2 6925  -3.470  -3.991  -3.917
+  206TIP3   OH2 6926  -3.298  -2.530  -4.133
+  206TIP3    H1 6927  -3.205  -2.507  -4.147
+  206TIP3    H2 6928  -3.311  -2.596  -4.203
+  207TIP3   OH2 6929  -2.617  -2.611  -3.899
+  207TIP3    H1 6930  -2.654  -2.692  -3.937
+  207TIP3    H2 6931  -2.651  -2.541  -3.960
+  208TIP3   OH2 6932  -4.111  -4.176  -2.733
+  208TIP3    H1 6933  -4.159  -4.245  -2.683
+  208TIP3    H2 6934  -4.027  -4.224  -2.747
+  209TIP3   OH2 6935  -3.809  -4.278  -2.473
+  209TIP3    H1 6936  -3.722  -4.303  -2.512
+  209TIP3    H2 6937  -3.827  -4.355  -2.418
+  210TIP3   OH2 6938  -3.961  -2.583  -4.238
+  210TIP3    H1 6939  -4.021  -2.564  -4.165
+  210TIP3    H2 6940  -3.928  -2.671  -4.218
+  211TIP3   OH2 6941  -2.692  -2.734  -2.643
+  211TIP3    H1 6942  -2.768  -2.753  -2.701
+  211TIP3    H2 6943  -2.711  -2.641  -2.620
+  212TIP3   OH2 6944  -1.273  -3.367  -3.629
+  212TIP3    H1 6945  -1.276  -3.270  -3.616
+  212TIP3    H2 6946  -1.352  -3.381  -3.684
+  213TIP3   OH2 6947  -1.388  -3.423  -3.320
+  213TIP3    H1 6948  -1.391  -3.478  -3.241
+  213TIP3    H2 6949  -1.417  -3.485  -3.388
+  214TIP3   OH2 6950  -2.141  -3.464  -3.153
+  214TIP3    H1 6951  -2.144  -3.539  -3.091
+  214TIP3    H2 6952  -2.072  -3.410  -3.114
+  215TIP3   OH2 6953  -1.019  -3.150  -3.488
+  215TIP3    H1 6954  -1.059  -3.220  -3.435
+  215TIP3    H2 6955  -0.995  -3.086  -3.420
+  216TIP3   OH2 6956  -2.076  -2.999  -3.304
+  216TIP3    H1 6957  -2.100  -3.091  -3.329
+  216TIP3    H2 6958  -1.983  -3.012  -3.280
+  217TIP3   OH2 6959  -2.376  -3.662  -3.763
+  217TIP3    H1 6960  -2.414  -3.574  -3.752
+  217TIP3    H2 6961  -2.448  -3.709  -3.807
+  218TIP3   OH2 6962  -2.297  -3.415  -3.580
+  218TIP3    H1 6963  -2.281  -3.497  -3.530
+  218TIP3    H2 6964  -2.213  -3.403  -3.625
+  219TIP3   OH2 6965  -1.314  -2.612  -3.431
+  219TIP3    H1 6966  -1.257  -2.684  -3.463
+  219TIP3    H2 6967  -1.343  -2.645  -3.346
+  220TIP3   OH2 6968  -1.541  -3.171  -3.264
+  220TIP3    H1 6969  -1.508  -3.243  -3.321
+  220TIP3    H2 6970  -1.460  -3.156  -3.211
+  221TIP3   OH2 6971  -0.687  -4.013  -3.209
+  221TIP3    H1 6972  -0.651  -3.977  -3.126
+  221TIP3    H2 6973  -0.617  -3.988  -3.271
+  222TIP3   OH2 6974  -1.211  -3.740  -3.212
+  222TIP3    H1 6975  -1.193  -3.835  -3.210
+  222TIP3    H2 6976  -1.221  -3.725  -3.307
+  223TIP3   OH2 6977  -1.917  -3.941  -3.502
+  223TIP3    H1 6978  -1.899  -3.856  -3.548
+  223TIP3    H2 6979  -1.949  -3.995  -3.577
+  224TIP3   OH2 6980  -1.128  -3.922  -3.671
+  224TIP3    H1 6981  -1.068  -3.967  -3.607
+  224TIP3    H2 6982  -1.063  -3.878  -3.728
+  225TIP3   OH2 6983  -2.244  -3.662  -3.455
+  225TIP3    H1 6984  -2.184  -3.711  -3.396
+  225TIP3    H2 6985  -2.236  -3.713  -3.537
+  226TIP3   OH2 6986  -1.706  -3.525  -3.509
+  226TIP3    H1 6987  -1.636  -3.581  -3.469
+  226TIP3    H2 6988  -1.757  -3.592  -3.558
+  227TIP3   OH2 6989  -0.591  -3.845  -2.942
+  227TIP3    H1 6990  -0.670  -3.798  -2.974
+  227TIP3    H2 6991  -0.627  -3.892  -2.866
+  228TIP3   OH2 6992  -2.034  -4.056  -3.087
+  228TIP3    H1 6993  -2.069  -4.001  -3.159
+  228TIP3    H2 6994  -2.101  -4.037  -3.018
+  229TIP3   OH2 6995  -1.283  -3.081  -3.751
+  229TIP3    H1 6996  -1.314  -3.102  -3.840
+  229TIP3    H2 6997  -1.330  -2.998  -3.732
+  230TIP3   OH2 6998  -1.740  -3.269  -3.076
+  230TIP3    H1 6999  -1.814  -3.211  -3.050
+  230TIP3    H2 7000  -1.679  -3.207  -3.120
+  231TIP3   OH2 7001  -0.938  -4.012  -3.468
+  231TIP3    H1 7002  -0.985  -4.062  -3.400
+  231TIP3    H2 7003  -0.887  -3.950  -3.413
+  232TIP3   OH2 7004  -2.074  -3.855  -3.293
+  232TIP3    H1 7005  -2.010  -3.795  -3.249
+  232TIP3    H2 7006  -2.017  -3.890  -3.365
+  233TIP3   OH2 7007  -1.942  -3.083  -3.005
+  233TIP3    H1 7008  -1.945  -2.990  -3.034
+  233TIP3    H2 7009  -2.028  -3.089  -2.960
+  234TIP3   OH2 7010  -2.311  -3.113  -3.917
+  234TIP3    H1 7011  -2.327  -3.072  -4.004
+  234TIP3    H2 7012  -2.296  -3.036  -3.858
+  235TIP3   OH2 7013  -0.963  -2.968  -3.240
+  235TIP3    H1 7014  -1.060  -2.957  -3.235
+  235TIP3    H2 7015  -0.938  -2.881  -3.275
+  236TIP3   OH2 7016  -0.923  -4.108  -3.065
+  236TIP3    H1 7017  -1.004  -4.078  -3.109
+  236TIP3    H2 7018  -0.857  -4.097  -3.136
+  237TIP3   OH2 7019  -1.612   4.381  -3.363
+  237TIP3    H1 7020  -1.615   4.286  -3.353
+  237TIP3    H2 7021  -1.700   4.412  -3.332
+  238TIP3   OH2 7022  -1.135  -2.774  -3.581
+  238TIP3    H1 7023  -1.087  -2.852  -3.614
+  238TIP3    H2 7024  -1.068  -2.704  -3.593
+  239TIP3   OH2 7025  -0.988  -2.989  -3.721
+  239TIP3    H1 7026  -1.045  -3.031  -3.787
+  239TIP3    H2 7027  -0.995  -3.051  -3.646
+  240TIP3   OH2 7028  -0.833  -3.105  -2.871
+  240TIP3    H1 7029  -0.848  -3.170  -2.942
+  240TIP3    H2 7030  -0.826  -3.021  -2.920
+  241TIP3   OH2 7031  -1.407  -3.418  -3.906
+  241TIP3    H1 7032  -1.473  -3.354  -3.938
+  241TIP3    H2 7033  -1.335  -3.406  -3.970
+  242TIP3   OH2 7034  -1.388  -3.593  -4.208
+  242TIP3    H1 7035  -1.321  -3.563  -4.145
+  242TIP3    H2 7036  -1.334  -3.654  -4.263
+  243TIP3   OH2 7037  -0.651  -3.480  -3.087
+  243TIP3    H1 7038  -0.729  -3.422  -3.071
+  243TIP3    H2 7039  -0.621  -3.447  -3.173
+  244TIP3   OH2 7040  -1.058  -3.414  -3.794
+  244TIP3    H1 7041  -1.128  -3.392  -3.729
+  244TIP3    H2 7042  -1.001  -3.472  -3.741
+  245TIP3   OH2 7043  -1.073  -3.561  -2.910
+  245TIP3    H1 7044  -1.070  -3.480  -2.857
+  245TIP3    H2 7045  -1.140  -3.533  -2.976
+  246TIP3   OH2 7046  -1.899  -3.337  -3.615
+  246TIP3    H1 7047  -1.930  -3.380  -3.698
+  246TIP3    H2 7048  -1.834  -3.402  -3.582
+  247TIP3   OH2 7049  -1.762  -2.996  -3.342
+  247TIP3    H1 7050  -1.774  -3.036  -3.430
+  247TIP3    H2 7051  -1.683  -3.043  -3.309
+  248TIP3   OH2 7052  -1.839  -3.457  -3.267
+  248TIP3    H1 7053  -1.782  -3.453  -3.346
+  248TIP3    H2 7054  -1.801  -3.389  -3.208
+  249TIP3   OH2 7055  -1.242  -2.906  -3.209
+  249TIP3    H1 7056  -1.243  -2.838  -3.139
+  249TIP3    H2 7057  -1.269  -2.987  -3.162
+  250TIP3   OH2 7058  -1.756  -3.024  -2.784
+  250TIP3    H1 7059  -1.807  -2.958  -2.734
+  250TIP3    H2 7060  -1.821  -3.051  -2.852
+  251TIP3   OH2 7061  -1.149  -3.470  -4.056
+  251TIP3    H1 7062  -1.109  -3.443  -3.971
+  251TIP3    H2 7063  -1.092  -3.424  -4.120
+  252TIP3   OH2 7064  -2.063  -3.384  -2.872
+  252TIP3    H1 7065  -2.058  -3.327  -2.793
+  252TIP3    H2 7066  -2.159  -3.398  -2.879
+  253TIP3   OH2 7067  -1.418  -2.810  -3.693
+  253TIP3    H1 7068  -1.369  -2.780  -3.616
+  253TIP3    H2 7069  -1.465  -2.730  -3.721
+  254TIP3   OH2 7070  -1.946  -2.806  -2.701
+  254TIP3    H1 7071  -1.958  -2.803  -2.798
+  254TIP3    H2 7072  -2.034  -2.833  -2.668
+  255TIP3   OH2 7073  -0.827  -4.339  -4.124
+  255TIP3    H1 7074  -0.878  -4.330  -4.042
+  255TIP3    H2 7075  -0.766  -4.265  -4.115
+  256TIP3   OH2 7076  -2.006  -3.462  -3.863
+  256TIP3    H1 7077  -2.030  -3.386  -3.919
+  256TIP3    H2 7078  -2.073  -3.527  -3.888
+  257TIP3   OH2 7079  -0.708  -2.885  -4.244
+  257TIP3    H1 7080  -0.684  -2.795  -4.217
+  257TIP3    H2 7081  -0.622  -2.931  -4.241
+  258TIP3   OH2 7082  -2.401  -3.196  -2.990
+  258TIP3    H1 7083  -2.445  -3.199  -3.077
+  258TIP3    H2 7084  -2.387  -3.291  -2.972
+  259TIP3   OH2 7085  -2.395  -2.904  -3.296
+  259TIP3    H1 7086  -2.303  -2.932  -3.292
+  259TIP3    H2 7087  -2.399  -2.844  -3.220
+  260TIP3   OH2 7088  -0.557  -2.842  -2.719
+  260TIP3    H1 7089  -0.568  -2.937  -2.737
+  260TIP3    H2 7090  -0.648  -2.818  -2.691
+  261TIP3   OH2 7091  -1.492  -2.919  -2.840
+  261TIP3    H1 7092  -1.485  -2.837  -2.787
+  261TIP3    H2 7093  -1.582  -2.950  -2.817
+  262TIP3   OH2 7094  -1.459  -2.539  -3.845
+  262TIP3    H1 7095  -1.465  -2.531  -3.942
+  262TIP3    H2 7096  -1.456  -2.447  -3.815
+  263TIP3   OH2 7097  -2.085  -2.623  -3.679
+  263TIP3    H1 7098  -2.067  -2.669  -3.594
+  263TIP3    H2 7099  -2.167  -2.667  -3.705
+  264TIP3   OH2 7100  -1.138  -2.562  -4.108
+  264TIP3    H1 7101  -1.101  -2.622  -4.177
+  264TIP3    H2 7102  -1.147  -2.624  -4.033
+  265TIP3   OH2 7103  -1.192  -2.659  -3.857
+  265TIP3    H1 7104  -1.285  -2.638  -3.838
+  265TIP3    H2 7105  -1.173  -2.725  -3.788
+  266TIP3   OH2 7106  -0.876  -3.707  -2.681
+  266TIP3    H1 7107  -0.930  -3.670  -2.752
+  266TIP3    H2 7108  -0.870  -3.801  -2.708
+  267TIP3   OH2 7109  -2.181  -3.041  -2.866
+  267TIP3    H1 7110  -2.155  -3.087  -2.784
+  267TIP3    H2 7111  -2.255  -3.096  -2.898
+  268TIP3   OH2 7112  -1.860  -4.219  -3.274
+  268TIP3    H1 7113  -1.943  -4.243  -3.319
+  268TIP3    H2 7114  -1.887  -4.136  -3.231
+  269TIP3   OH2 7115  -1.406  -4.260  -2.915
+  269TIP3    H1 7116  -1.385  -4.311  -2.836
+  269TIP3    H2 7117  -1.500  -4.278  -2.926
+  270TIP3   OH2 7118  -1.107  -3.862  -2.873
+  270TIP3    H1 7119  -1.166  -3.875  -2.797
+  270TIP3    H2 7120  -1.115  -3.767  -2.891
+  271TIP3   OH2 7121  -0.917  -3.391  -4.256
+  271TIP3    H1 7122  -0.978  -3.405  -4.330
+  271TIP3    H2 7123  -0.901  -3.296  -4.267
+  272TIP3   OH2 7124  -1.441  -3.999  -4.217
+  272TIP3    H1 7125  -1.496  -3.994  -4.136
+  272TIP3    H2 7126  -1.492  -4.066  -4.265
+  273TIP3   OH2 7127  -1.877  -3.716  -3.148
+  273TIP3    H1 7128  -1.935  -3.703  -3.071
+  273TIP3    H2 7129  -1.869  -3.624  -3.183
+  274TIP3   OH2 7130  -1.882  -3.708  -3.659
+  274TIP3    H1 7131  -1.977  -3.719  -3.675
+  274TIP3    H2 7132  -1.847  -3.727  -3.749
+  275TIP3   OH2 7133  -1.313  -3.653  -3.786
+  275TIP3    H1 7134  -1.355  -3.571  -3.818
+  275TIP3    H2 7135  -1.251  -3.673  -3.857
+  276TIP3   OH2 7136  -1.401  -3.632  -2.649
+  276TIP3    H1 7137  -1.453  -3.706  -2.611
+  276TIP3    H2 7138  -1.315  -3.644  -2.605
+  277TIP3   OH2 7139  -1.234  -3.711  -3.505
+  277TIP3    H1 7140  -1.263  -3.654  -3.579
+  277TIP3    H2 7141  -1.214  -3.793  -3.555
+  278TIP3   OH2 7142  -2.140  -3.697  -2.966
+  278TIP3    H1 7143  -2.113  -3.669  -2.877
+  278TIP3    H2 7144  -2.179  -3.784  -2.946
+  279TIP3   OH2 7145  -1.769  -3.959  -4.317
+  279TIP3    H1 7146  -1.799  -3.987  -4.228
+  279TIP3    H2 7147  -1.845  -3.905  -4.346
+  280TIP3   OH2 7148  -2.460  -3.956  -3.602
+  280TIP3    H1 7149  -2.403  -3.956  -3.523
+  280TIP3    H2 7150  -2.404  -3.994  -3.670
+  281TIP3   OH2 7151  -2.303  -3.911  -4.038
+  281TIP3    H1 7152  -2.246  -3.862  -4.100
+  281TIP3    H2 7153  -2.369  -3.842  -4.016
+  282TIP3   OH2 7154  -1.324  -3.543  -3.057
+  282TIP3    H1 7155  -1.282  -3.617  -3.108
+  282TIP3    H2 7156  -1.360  -3.591  -2.981
+  283TIP3   OH2 7157  -1.605  -3.941  -3.560
+  283TIP3    H1 7158  -1.698  -3.959  -3.539
+  283TIP3    H2 7159  -1.561  -3.973  -3.479
+  284TIP3   OH2 7160  -2.147  -3.828  -3.690
+  284TIP3    H1 7161  -2.229  -3.800  -3.735
+  284TIP3    H2 7162  -2.120  -3.909  -3.737
+  285TIP3   OH2 7163  -1.788  -3.785  -3.921
+  285TIP3    H1 7164  -1.691  -3.783  -3.917
+  285TIP3    H2 7165  -1.811  -3.729  -3.997
+  286TIP3   OH2 7166  -1.171  -4.032  -3.256
+  286TIP3    H1 7167  -1.234  -4.035  -3.181
+  286TIP3    H2 7168  -1.228  -4.064  -3.327
+  287TIP3   OH2 7169  -1.926  -3.676  -4.157
+  287TIP3    H1 7170  -1.992  -3.721  -4.213
+  287TIP3    H2 7171  -1.856  -3.653  -4.220
+  288TIP3   OH2 7172  -0.864  -2.456  -2.587
+  288TIP3    H1 7173  -0.846  -2.411  -2.672
+  288TIP3    H2 7174  -0.790  -2.426  -2.533
+  289TIP3   OH2 7175  -2.074  -3.194  -2.647
+  289TIP3    H1 7176  -2.007  -3.186  -2.576
+  289TIP3    H2 7177  -2.155  -3.197  -2.591
+  290TIP3   OH2 7178  -1.502  -3.693  -3.373
+  290TIP3    H1 7179  -1.432  -3.739  -3.422
+  290TIP3    H2 7180  -1.521  -3.756  -3.301
+  291TIP3   OH2 7181  -1.988  -4.066  -3.757
+  291TIP3    H1 7182  -2.034  -4.151  -3.743
+  291TIP3    H2 7183  -1.901  -4.095  -3.788
+  292TIP3   OH2 7184  -1.606  -3.848  -3.150
+  292TIP3    H1 7185  -1.683  -3.788  -3.148
+  292TIP3    H2 7186  -1.557  -3.822  -3.069
+  293TIP3   OH2 7187  -1.591  -3.212  -3.960
+  293TIP3    H1 7188  -1.669  -3.260  -3.994
+  293TIP3    H2 7189  -1.611  -3.205  -3.864
+  294TIP3   OH2 7190  -0.868  -3.296  -3.088
+  294TIP3    H1 7191  -0.821  -3.240  -3.153
+  294TIP3    H2 7192  -0.955  -3.307  -3.131
+  295TIP3   OH2 7193  -1.171  -3.929  -4.187
+  295TIP3    H1 7194  -1.268  -3.937  -4.188
+  295TIP3    H2 7195  -1.153  -3.856  -4.126
+  296TIP3   OH2 7196  -1.426  -3.208  -2.829
+  296TIP3    H1 7197  -1.458  -3.241  -2.743
+  296TIP3    H2 7198  -1.459  -3.116  -2.828
+  297TIP3   OH2 7199  -1.115  -3.749  -3.988
+  297TIP3    H1 7200  -1.029  -3.765  -3.945
+  297TIP3    H2 7201  -1.102  -3.661  -4.029
+  298TIP3   OH2 7202  -2.078  -3.270  -3.378
+  298TIP3    H1 7203  -2.022  -3.282  -3.457
+  298TIP3    H2 7204  -2.068  -3.356  -3.334
+  299TIP3   OH2 7205  -1.343  -3.076  -4.064
+  299TIP3    H1 7206  -1.374  -2.987  -4.038
+  299TIP3    H2 7207  -1.423  -3.128  -4.047
+  300TIP3   OH2 7208  -2.353  -3.443  -2.852
+  300TIP3    H1 7209  -2.336  -3.487  -2.766
+  300TIP3    H2 7210  -2.412  -3.506  -2.897
+  301TIP3   OH2 7211  -1.655  -3.491  -2.654
+  301TIP3    H1 7212  -1.690  -3.518  -2.741
+  301TIP3    H2 7213  -1.562  -3.520  -2.662
+  302TIP3   OH2 7214  -1.201  -2.948  -2.881
+  302TIP3    H1 7215  -1.298  -2.941  -2.888
+  302TIP3    H2 7216  -1.186  -2.924  -2.788
+  303TIP3   OH2 7217  -0.640  -3.735  -3.998
+  303TIP3    H1 7218  -0.704  -3.760  -4.068
+  303TIP3    H2 7219  -0.635  -3.640  -4.018
+  304TIP3   OH2 7220  -0.603  -3.140  -2.723
+  304TIP3    H1 7221  -0.696  -3.119  -2.743
+  304TIP3    H2 7222  -0.568  -3.158  -2.812
+  305TIP3   OH2 7223  -0.817  -2.882  -3.987
+  305TIP3    H1 7224  -0.852  -2.959  -3.941
+  305TIP3    H2 7225  -0.791  -2.917  -4.074
+  306TIP3   OH2 7226  -1.103  -3.351  -3.257
+  306TIP3    H1 7227  -1.197  -3.366  -3.280
+  306TIP3    H2 7228  -1.061  -3.423  -3.306
+  307TIP3   OH2 7229  -1.840  -2.942  -3.653
+  307TIP3    H1 7230  -1.799  -2.855  -3.665
+  307TIP3    H2 7231  -1.932  -2.924  -3.676
+  308TIP3   OH2 7232  -2.234  -3.451  -4.198
+  308TIP3    H1 7233  -2.178  -3.385  -4.154
+  308TIP3    H2 7234  -2.323  -3.427  -4.166
+  309TIP3   OH2 7235  -1.657  -3.173  -3.690
+  309TIP3    H1 7236  -1.687  -3.082  -3.676
+  309TIP3    H2 7237  -1.728  -3.223  -3.647
+  310TIP3   OH2 7238  -1.641  -2.747  -3.055
+  310TIP3    H1 7239  -1.585  -2.672  -3.082
+  310TIP3    H2 7240  -1.580  -2.796  -2.998
+  311TIP3   OH2 7241  -1.796  -2.653  -3.730
+  311TIP3    H1 7242  -1.892  -2.638  -3.726
+  311TIP3    H2 7243  -1.762  -2.564  -3.708
+  312TIP3   OH2 7244  -1.300  -3.172  -3.098
+  312TIP3    H1 7245  -1.330  -3.199  -3.009
+  312TIP3    H2 7246  -1.227  -3.234  -3.114
+  313TIP3   OH2 7247  -1.086  -3.033  -4.199
+  313TIP3    H1 7248  -1.036  -3.079  -4.128
+  313TIP3    H2 7249  -1.176  -3.051  -4.168
+  314TIP3   OH2 7250  -1.004  -2.716  -2.860
+  314TIP3    H1 7251  -1.081  -2.761  -2.899
+  314TIP3    H2 7252  -0.997  -2.635  -2.915
+  315TIP3   OH2 7253  -0.594  -2.593  -4.153
+  315TIP3    H1 7254  -0.525  -2.525  -4.139
+  315TIP3    H2 7255  -0.676  -2.541  -4.137
+  316TIP3   OH2 7256  -2.219  -3.961  -2.894
+  316TIP3    H1 7257  -2.310  -3.944  -2.925
+  316TIP3    H2 7258  -2.234  -4.047  -2.848
+  317TIP3   OH2 7259  -0.983  -3.185  -3.973
+  317TIP3    H1 7260  -1.014  -3.251  -3.908
+  317TIP3    H2 7261  -0.887  -3.187  -3.958
+  318TIP3   OH2 7262  -2.244  -2.803  -3.051
+  318TIP3    H1 7263  -2.215  -2.894  -3.033
+  318TIP3    H2 7264  -2.224  -2.762  -2.966
+  319TIP3   OH2 7265  -1.627  -2.951  -4.328
+  319TIP3    H1 7266  -1.597  -3.041  -4.351
+  319TIP3    H2 7267  -1.685  -2.970  -4.252
+  320TIP3   OH2 7268  -1.779  -2.986  -4.076
+  320TIP3    H1 7269  -1.726  -3.036  -4.013
+  320TIP3    H2 7270  -1.759  -2.893  -4.050
+  321TIP3   OH2 7271  -2.091  -3.248  -4.033
+  321TIP3    H1 7272  -2.167  -3.206  -3.988
+  321TIP3    H2 7273  -2.047  -3.170  -4.071
+  322TIP3   OH2 7274  -1.330  -4.008  -3.026
+  322TIP3    H1 7275  -1.267  -3.982  -2.957
+  322TIP3    H2 7276  -1.366  -4.092  -2.992
+  323TIP3   OH2 7277  -1.253  -4.049  -3.922
+  323TIP3    H1 7278  -1.232  -3.991  -3.997
+  323TIP3    H2 7279  -1.214  -4.000  -3.847
+  324TIP3   OH2 7280  -1.482  -2.826  -4.025
+  324TIP3    H1 7281  -1.563  -2.776  -4.005
+  324TIP3    H2 7282  -1.434  -2.762  -4.080
+  325TIP3   OH2 7283  -1.518  -3.849  -3.812
+  325TIP3    H1 7284  -1.442  -3.790  -3.798
+  325TIP3    H2 7285  -1.548  -3.866  -3.721
+  326TIP3   OH2 7286  -1.481  -3.759  -2.901
+  326TIP3    H1 7287  -1.475  -3.710  -2.817
+  326TIP3    H2 7288  -1.428  -3.837  -2.882
+  327TIP3   OH2 7289  -1.442  -4.171  -3.714
+  327TIP3    H1 7290  -1.475  -4.096  -3.662
+  327TIP3    H2 7291  -1.389  -4.126  -3.782
+  328TIP3   OH2 7292  -1.756  -2.709  -4.023
+  328TIP3    H1 7293  -1.765  -2.625  -4.074
+  328TIP3    H2 7294  -1.776  -2.679  -3.933
+  329TIP3   OH2 7295  -1.889  -4.043  -4.075
+  329TIP3    H1 7296  -1.894  -3.966  -4.015
+  329TIP3    H2 7297  -1.806  -4.084  -4.044
+  330TIP3   OH2 7298  -0.845  -3.962  -2.819
+  330TIP3    H1 7299  -0.942  -3.952  -2.827
+  330TIP3    H2 7300  -0.826  -3.992  -2.909
+  331TIP3   OH2 7301  -1.002  -3.574  -3.413
+  331TIP3    H1 7302  -1.085  -3.619  -3.437
+  331TIP3    H2 7303  -0.954  -3.645  -3.364
+  332TIP3   OH2 7304  -2.056  -2.950  -4.155
+  332TIP3    H1 7305  -1.971  -2.924  -4.115
+  332TIP3    H2 7306  -2.025  -2.995  -4.235
+  333TIP3   OH2 7307  -2.228  -3.734  -4.251
+  333TIP3    H1 7308  -2.214  -3.638  -4.238
+  333TIP3    H2 7309  -2.317  -3.734  -4.290
+  334TIP3   OH2 7310  -0.901  -2.690  -3.270
+  334TIP3    H1 7311  -0.920  -2.609  -3.320
+  334TIP3    H2 7312  -0.808  -2.673  -3.245
+  335TIP3   OH2 7313  -2.221  -4.242  -3.353
+  335TIP3    H1 7314  -2.180  -4.244  -3.441
+  335TIP3    H2 7315  -2.201  -4.332  -3.325
+  336TIP3   OH2 7316  -2.250  -2.883  -3.743
+  336TIP3    H1 7317  -2.331  -2.834  -3.727
+  336TIP3    H2 7318  -2.214  -2.837  -3.820
+  337TIP3   OH2 7319  -2.311  -2.598  -2.630
+  337TIP3    H1 7320  -2.253  -2.625  -2.556
+  337TIP3    H2 7321  -2.350  -2.684  -2.656
+  338TIP3   OH2 7322  -1.839  -2.689  -2.451
+  338TIP3    H1 7323  -1.774  -2.756  -2.428
+  338TIP3    H2 7324  -1.865  -2.718  -2.541
+  339TIP3   OH2 7325  -1.418  -2.754  -4.326
+  339TIP3    H1 7326  -1.502  -2.805  -4.332
+  339TIP3    H2 7327  -1.355  -2.821  -4.356
+  340TIP3   OH2 7328  -1.192  -2.867  -2.594
+  340TIP3    H1 7329  -1.235  -2.946  -2.556
+  340TIP3    H2 7330  -1.127  -2.844  -2.526
+  341TIP3   OH2 7331  -1.057  -2.757  -4.278
+  341TIP3    H1 7332  -1.057  -2.851  -4.253
+  341TIP3    H2 7333  -0.991  -2.751  -4.347
+  342TIP3   OH2 7334  -2.315  -3.235  -2.517
+  342TIP3    H1 7335  -2.307  -3.326  -2.550
+  342TIP3    H2 7336  -2.393  -3.204  -2.568
+  343TIP3   OH2 7337  -1.899  -3.204  -4.308
+  343TIP3    H1 7338  -1.854  -3.244  -4.232
+  343TIP3    H2 7339  -1.828  -3.179  -4.370
+  344TIP3   OH2 7340  -1.651  -3.215  -2.583
+  344TIP3    H1 7341  -1.684  -3.183  -2.669
+  344TIP3    H2 7342  -1.645  -3.312  -2.597
+  345TIP3   OH2 7343  -1.335  -3.081   4.296
+  345TIP3    H1 7344  -1.346  -3.064   4.389
+  345TIP3    H2 7345  -1.342  -3.177   4.290
+  346TIP3   OH2 7346  -1.116  -3.255  -2.844
+  346TIP3    H1 7347  -1.039  -3.198  -2.862
+  346TIP3    H2 7348  -1.188  -3.190  -2.845
+  347TIP3   OH2 7349  -2.229  -3.522  -2.600
+  347TIP3    H1 7350  -2.155  -3.586  -2.598
+  347TIP3    H2 7351  -2.234  -3.499  -2.506
+  348TIP3   OH2 7352  -1.784  -3.384  -4.093
+  348TIP3    H1 7353  -1.848  -3.426  -4.033
+  348TIP3    H2 7354  -1.753  -3.461  -4.145
+  349TIP3   OH2 7355  -1.865  -3.609  -2.857
+  349TIP3    H1 7356  -1.918  -3.530  -2.836
+  349TIP3    H2 7357  -1.799  -3.572  -2.919
+  350TIP3   OH2 7358  -1.663  -3.571  -4.275
+  350TIP3    H1 7359  -1.664  -3.598  -4.368
+  350TIP3    H2 7360  -1.567  -3.581  -4.254
+  351TIP3   OH2 7361  -1.333  -3.338  -2.501
+  351TIP3    H1 7362  -1.243  -3.358  -2.530
+  351TIP3    H2 7363  -1.359  -3.421  -2.459
+  352TIP3   OH2 7364  -1.805  -3.879  -2.746
+  352TIP3    H1 7365  -1.797  -3.944  -2.817
+  352TIP3    H2 7366  -1.826  -3.798  -2.795
+  353TIP3   OH2 7367  -1.767  -4.037  -3.003
+  353TIP3    H1 7368  -1.714  -3.982  -3.065
+  353TIP3    H2 7369  -1.858  -4.027  -3.037
+  354TIP3   OH2 7370  -1.617  -3.487  -2.957
+  354TIP3    H1 7371  -1.533  -3.495  -3.005
+  354TIP3    H2 7372  -1.648  -3.400  -2.987
+  355TIP3   OH2 7373  -1.159  -3.693  -2.481
+  355TIP3    H1 7374  -1.141  -3.786  -2.460
+  355TIP3    H2 7375  -1.069  -3.656  -2.482
+  356TIP3   OH2 7376  -1.061  -3.414  -2.629
+  356TIP3    H1 7377  -1.096  -3.354  -2.698
+  356TIP3    H2 7378  -0.972  -3.431  -2.667
+  357TIP3   OH2 7379  -1.983  -3.696  -2.563
+  357TIP3    H1 7380  -2.036  -3.777  -2.561
+  357TIP3    H2 7381  -1.903  -3.726  -2.607
+  358TIP3   OH2 7382  -1.718  -4.278  -2.882
+  358TIP3    H1 7383  -1.707  -4.187  -2.916
+  358TIP3    H2 7384  -1.811  -4.292  -2.903
+  359TIP3   OH2 7385  -1.571  -3.843  -2.586
+  359TIP3    H1 7386  -1.602  -3.871  -2.497
+  359TIP3    H2 7387  -1.652  -3.863  -2.637
+  360TIP3   OH2 7388  -1.312  -3.944  -2.687
+  360TIP3    H1 7389  -1.401  -3.931  -2.650
+  360TIP3    H2 7390  -1.275  -4.010  -2.625
+  361TIP3   OH2 7391  -1.138  -4.136  -2.518
+  361TIP3    H1 7392  -1.155  -4.224  -2.481
+  361TIP3    H2 7393  -1.154  -4.077  -2.443
+  362TIP3   OH2 7394  -2.106  -3.959  -2.575
+  362TIP3    H1 7395  -2.131  -4.021  -2.646
+  362TIP3    H2 7396  -2.148  -3.998  -2.497
+  363TIP3   OH2 7397  -1.608  -4.145  -2.476
+  363TIP3    H1 7398  -1.631  -4.228  -2.522
+  363TIP3    H2 7399  -1.694  -4.100  -2.469
+  364TIP3   OH2 7400  -1.707  -2.452  -4.167
+  364TIP3    H1 7401  -1.610  -2.448  -4.166
+  364TIP3    H2 7402  -1.732  -2.400  -4.246
+  365TIP3   OH2 7403  -2.316  -3.060  -4.194
+  365TIP3    H1 7404  -2.229  -3.015  -4.196
+  365TIP3    H2 7405  -2.316  -3.107  -4.279
+  366TIP3   OH2 7406  -2.425  -2.498  -3.716
+  366TIP3    H1 7407  -2.496  -2.535  -3.771
+  366TIP3    H2 7408  -2.413  -2.568  -3.649
+  367TIP3   OH2 7409  -2.385  -2.697  -3.520
+  367TIP3    H1 7410  -2.413  -2.786  -3.490
+  367TIP3    H2 7411  -2.349  -2.664  -3.436
+  368TIP3   OH2 7412  -0.629  -2.574  -3.219
+  368TIP3    H1 7413  -0.614  -2.573  -3.124
+  368TIP3    H2 7414  -0.545  -2.542  -3.252
+  369TIP3   OH2 7415  -0.640  -2.628  -2.932
+  369TIP3    H1 7416  -0.692  -2.703  -2.967
+  369TIP3    H2 7417  -0.585  -2.674  -2.867
+  370TIP3   OH2 7418  -0.839  -3.085  -2.502
+  370TIP3    H1 7419  -0.928  -3.078  -2.463
+  370TIP3    H2 7420  -0.795  -3.004  -2.471
+  371TIP3   OH2 7421  -0.697  -3.211  -3.927
+  371TIP3    H1 7422  -0.609  -3.170  -3.914
+  371TIP3    H2 7423  -0.703  -3.267  -3.848
+  372TIP3   OH2 7424  -0.627  -3.407  -3.702
+  372TIP3    H1 7425  -0.709  -3.454  -3.679
+  372TIP3    H2 7426  -0.577  -3.409  -3.619
+  373TIP3   OH2 7427  -0.673  -3.157  -3.233
+  373TIP3    H1 7428  -0.612  -3.197  -3.297
+  373TIP3    H2 7429  -0.672  -3.064  -3.260
+  374TIP3   OH2 7430  -0.811  -2.858  -3.009
+  374TIP3    H1 7431  -0.883  -2.816  -2.960
+  374TIP3    H2 7432  -0.858  -2.892  -3.088
+  375TIP3   OH2 7433  -0.624  -3.431  -4.113
+  375TIP3    H1 7434  -0.697  -3.408  -4.173
+  375TIP3    H2 7435  -0.640  -3.366  -4.043
+  376TIP3   OH2 7436  -0.804  -3.697  -4.215
+  376TIP3    H1 7437  -0.780  -3.625  -4.276
+  376TIP3    H2 7438  -0.771  -3.774  -4.261
+  377TIP3   OH2 7439  -0.851  -3.578  -3.651
+  377TIP3    H1 7440  -0.861  -3.672  -3.672
+  377TIP3    H2 7441  -0.894  -3.572  -3.563
+  378TIP3   OH2 7442  -2.376  -3.363  -3.280
+  378TIP3    H1 7443  -2.351  -3.359  -3.374
+  378TIP3    H2 7444  -2.290  -3.386  -3.239
+  379TIP3   OH2 7445  -0.800  -3.393  -2.738
+  379TIP3    H1 7446  -0.727  -3.455  -2.719
+  379TIP3    H2 7447  -0.753  -3.310  -2.753
+  380TIP3   OH2 7448  -0.644  -3.583  -2.614
+  380TIP3    H1 7449  -0.724  -3.636  -2.638
+  380TIP3    H2 7450  -0.575  -3.652  -2.616
+  381TIP3   OH2 7451  -0.886  -4.020  -4.340
+  381TIP3    H1 7452  -0.827  -4.045  -4.267
+  381TIP3    H2 7453  -0.974  -4.048  -4.310
+  382TIP3   OH2 7454  -0.882  -3.823  -3.833
+  382TIP3    H1 7455  -0.864  -3.920  -3.825
+  382TIP3    H2 7456  -0.797  -3.793  -3.871
+  383TIP3   OH2 7457  -0.851  -3.770  -3.292
+  383TIP3    H1 7458  -0.753  -3.772  -3.292
+  383TIP3    H2 7459  -0.867  -3.777  -3.196
+  384TIP3   OH2 7460  -0.836  -3.704  -3.007
+  384TIP3    H1 7461  -0.921  -3.665  -2.980
+  384TIP3    H2 7462  -0.784  -3.626  -3.028
+  385TIP3   OH2 7463  -2.392  -3.836  -2.629
+  385TIP3    H1 7464  -2.299  -3.858  -2.643
+  385TIP3    H2 7465  -2.434  -3.923  -2.630
+  386TIP3   OH2 7466  -0.619  -4.275  -2.428
+  386TIP3    H1 7467  -0.573  -4.356  -2.451
+  386TIP3    H2 7468  -0.618  -4.218  -2.508
+  387TIP3   OH2 7469  -0.850  -4.095  -3.822
+  387TIP3    H1 7470  -0.821  -4.148  -3.746
+  387TIP3    H2 7471  -0.910  -4.157  -3.866
+  388TIP3   OH2 7472  -2.316  -3.990  -3.360
+  388TIP3    H1 7473  -2.285  -4.082  -3.350
+  388TIP3    H2 7474  -2.241  -3.940  -3.322
+  389TIP3   OH2 7475  -2.456  -3.727  -3.258
+  389TIP3    H1 7476  -2.395  -3.733  -3.333
+  389TIP3    H2 7477  -2.417  -3.654  -3.208
+  390TIP3   OH2 7478  -0.642  -4.111  -2.645
+  390TIP3    H1 7479  -0.727  -4.065  -2.638
+  390TIP3    H2 7480  -0.652  -4.148  -2.735
+  391TIP3   OH2 7481  -0.631  -4.073  -4.174
+  391TIP3    H1 7482  -0.605  -4.145  -4.233
+  391TIP3    H2 7483  -0.548  -4.022  -4.166
+  392TIP3   OH2 7484  -2.400  -4.101  -3.853
+  392TIP3    H1 7485  -2.495  -4.095  -3.872
+  392TIP3    H2 7486  -2.362  -4.033  -3.912
+  393TIP3   OH2 7487  -0.943  -2.572  -3.641
+  393TIP3    H1 7488  -0.895  -2.595  -3.722
+  393TIP3    H2 7489  -0.874  -2.530  -3.587
+  394TIP3   OH2 7490  -2.424  -4.127  -3.000
+  394TIP3    H1 7491  -2.425  -4.220  -2.972
+  394TIP3    H2 7492  -2.443  -4.136  -3.095
+  395TIP3   OH2 7493  -2.201  -2.895  -2.568
+  395TIP3    H1 7494  -2.275  -2.898  -2.630
+  395TIP3    H2 7495  -2.245  -2.903  -2.482
+  396TIP3   OH2 7496  -1.917  -2.799  -3.000
+  396TIP3    H1 7497  -1.948  -2.713  -3.034
+  396TIP3    H2 7498  -1.821  -2.789  -3.017
+  397TIP3   OH2 7499  -1.466  -2.668  -2.699
+  397TIP3    H1 7500  -1.453  -2.684  -2.604
+  397TIP3    H2 7501  -1.383  -2.623  -2.723
+  398TIP3   OH2 7502  -1.236  -2.521  -2.774
+  398TIP3    H1 7503  -1.169  -2.587  -2.796
+  398TIP3    H2 7504  -1.207  -2.492  -2.685
+  399TIP3   OH2 7505  -0.778  -4.275  -2.854
+  399TIP3    H1 7506  -0.831  -4.216  -2.911
+  399TIP3    H2 7507  -0.757  -4.344  -2.918
+  400TIP3   OH2 7508  -2.180  -2.503  -2.967
+  400TIP3    H1 7509  -2.240  -2.439  -3.010
+  400TIP3    H2 7510  -2.211  -2.499  -2.876
+  401TIP3   OH2 7511  -1.930  -2.525  -3.111
+  401TIP3    H1 7512  -2.016  -2.507  -3.067
+  401TIP3    H2 7513  -1.927  -2.456  -3.179
+  402TIP3   OH2 7514  -1.455  -2.526  -3.155
+  402TIP3    H1 7515  -1.494  -2.481  -3.233
+  402TIP3    H2 7516  -1.448  -2.451  -3.092
+  403TIP3   OH2 7517  -1.222  -2.654  -3.063
+  403TIP3    H1 7518  -1.307  -2.618  -3.096
+  403TIP3    H2 7519  -1.167  -2.575  -3.065
+  404TIP3   OH2 7520  -0.968  -2.481  -3.044
+  404TIP3    H1 7521  -0.974  -2.386  -3.066
+  404TIP3    H2 7522  -0.942  -2.517  -3.131
+  405TIP3   OH2 7523  -2.222  -2.623  -3.272
+  405TIP3    H1 7524  -2.224  -2.672  -3.187
+  405TIP3    H2 7525  -2.146  -2.667  -3.316
+  406TIP3   OH2 7526  -2.020  -2.747  -3.427
+  406TIP3    H1 7527  -2.036  -2.840  -3.402
+  406TIP3    H2 7528  -1.929  -2.733  -3.396
+  407TIP3   OH2 7529  -1.743  -2.701  -3.339
+  407TIP3    H1 7530  -1.725  -2.794  -3.362
+  407TIP3    H2 7531  -1.737  -2.705  -3.243
+  408TIP3   OH2 7532  -1.415  -4.112  -3.412
+  408TIP3    H1 7533  -1.477  -4.182  -3.383
+  408TIP3    H2 7534  -1.354  -4.162  -3.469
+  409TIP3   OH2 7535  -0.885  -4.327  -3.363
+  409TIP3    H1 7536  -0.826  -4.290  -3.431
+  409TIP3    H2 7537  -0.973  -4.307  -3.398
+  410TIP3   OH2 7538  -0.691  -4.224  -3.583
+  410TIP3    H1 7539  -0.637  -4.248  -3.659
+  410TIP3    H2 7540  -0.672  -4.129  -3.572
+  411TIP3   OH2 7541  -2.179  -4.282  -3.678
+  411TIP3    H1 7542  -2.270  -4.306  -3.699
+  411TIP3    H2 7543  -2.143  -4.364  -3.642
+  412TIP3   OH2 7544  -2.318  -4.282  -4.068
+  412TIP3    H1 7545  -2.266  -4.231  -4.134
+  412TIP3    H2 7546  -2.352  -4.211  -4.011
+  413TIP3   OH2 7547  -1.729  -4.226  -3.652
+  413TIP3    H1 7548  -1.635  -4.235  -3.672
+  413TIP3    H2 7549  -1.743  -4.293  -3.584
+  414TIP3   OH2 7550  -1.172  -4.264  -3.516
+  414TIP3    H1 7551  -1.141  -4.263  -3.607
+  414TIP3    H2 7552  -1.188  -4.358  -3.499
+  415TIP3   OH2 7553  -1.067  -4.270  -3.915
+  415TIP3    H1 7554  -1.141  -4.215  -3.946
+  415TIP3    H2 7555  -1.104  -4.360  -3.919
+  416TIP3   OH2 7556  -2.295  -2.699  -3.960
+  416TIP3    H1 7557  -2.361  -2.698  -4.031
+  416TIP3    H2 7558  -2.282  -2.605  -3.946
+  417TIP3   OH2 7559  -2.128  -4.125  -4.223
+  417TIP3    H1 7560  -2.066  -4.163  -4.286
+  417TIP3    H2 7561  -2.070  -4.063  -4.176
+  418TIP3   OH2 7562  -1.607  -4.057  -3.985
+  418TIP3    H1 7563  -1.597  -4.142  -3.937
+  418TIP3    H2 7564  -1.585  -3.991  -3.917
+  419TIP3   OH2 7565  -1.414  -2.530  -4.147
+  419TIP3    H1 7566  -1.317  -2.518  -4.145
+  419TIP3    H2 7567  -1.422  -2.593  -4.221
+  420TIP3   OH2 7568  -0.749  -2.614  -3.880
+  420TIP3    H1 7569  -0.778  -2.697  -3.924
+  420TIP3    H2 7570  -0.771  -2.547  -3.948
+  421TIP3   OH2 7571  -2.216  -4.178  -2.732
+  421TIP3    H1 7572  -2.262  -4.257  -2.699
+  421TIP3    H2 7573  -2.128  -4.217  -2.744
+  422TIP3   OH2 7574  -1.923  -4.279  -2.467
+  422TIP3    H1 7575  -1.836  -4.305  -2.505
+  422TIP3    H2 7576  -1.946  -4.357  -2.416
+  423TIP3   OH2 7577  -2.050  -2.563  -4.195
+  423TIP3    H1 7578  -2.146  -2.565  -4.182
+  423TIP3    H2 7579  -2.033  -2.647  -4.239
+  424TIP3   OH2 7580  -0.809  -2.734  -2.641
+  424TIP3    H1 7581  -0.883  -2.754  -2.702
+  424TIP3    H2 7582  -0.827  -2.641  -2.620
+  425TIP3   OH2 7583   0.614  -3.366  -3.629
+  425TIP3    H1 7584   0.611  -3.270  -3.617
+  425TIP3    H2 7585   0.535  -3.381  -3.683
+  426TIP3   OH2 7586   0.496  -3.421  -3.320
+  426TIP3    H1 7587   0.497  -3.475  -3.240
+  426TIP3    H2 7588   0.462  -3.487  -3.384
+  427TIP3   OH2 7589  -0.249  -3.452  -3.171
+  427TIP3    H1 7590  -0.261  -3.526  -3.108
+  427TIP3    H2 7591  -0.188  -3.397  -3.119
+  428TIP3   OH2 7592   0.864  -3.148  -3.488
+  428TIP3    H1 7593   0.827  -3.220  -3.435
+  428TIP3    H2 7594   0.894  -3.087  -3.418
+  429TIP3   OH2 7595  -0.185  -3.014  -3.318
+  429TIP3    H1 7596  -0.213  -3.106  -3.323
+  429TIP3    H2 7597  -0.094  -3.023  -3.284
+  430TIP3   OH2 7598  -0.498  -3.658  -3.741
+  430TIP3    H1 7599  -0.535  -3.570  -3.756
+  430TIP3    H2 7600  -0.554  -3.713  -3.797
+  431TIP3   OH2 7601   0.569  -2.613  -3.431
+  431TIP3    H1 7602   0.628  -2.684  -3.463
+  431TIP3    H2 7603   0.544  -2.646  -3.344
+  432TIP3   OH2 7604   0.345  -3.171  -3.263
+  432TIP3    H1 7605   0.377  -3.243  -3.319
+  432TIP3    H2 7606   0.426  -3.155  -3.211
+  433TIP3   OH2 7607   1.202  -4.017  -3.207
+  433TIP3    H1 7608   1.234  -3.972  -3.127
+  433TIP3    H2 7609   1.267  -3.986  -3.273
+  434TIP3   OH2 7610   0.675  -3.739  -3.212
+  434TIP3    H1 7611   0.692  -3.835  -3.210
+  434TIP3    H2 7612   0.660  -3.724  -3.306
+  435TIP3   OH2 7613   0.757  -3.922  -3.672
+  435TIP3    H1 7614   0.815  -3.968  -3.607
+  435TIP3    H2 7615   0.823  -3.878  -3.727
+  436TIP3   OH2 7616  -0.347  -3.615  -3.457
+  436TIP3    H1 7617  -0.293  -3.684  -3.415
+  436TIP3    H2 7618  -0.361  -3.656  -3.545
+  437TIP3   OH2 7619   1.295  -3.848  -2.941
+  437TIP3    H1 7620   1.219  -3.797  -2.975
+  437TIP3    H2 7621   1.256  -3.891  -2.864
+  438TIP3   OH2 7622  -0.148  -4.049  -3.096
+  438TIP3    H1 7623  -0.177  -3.991  -3.169
+  438TIP3    H2 7624  -0.216  -4.028  -3.028
+  439TIP3   OH2 7625   0.599  -3.083  -3.749
+  439TIP3    H1 7626   0.571  -3.104  -3.838
+  439TIP3    H2 7627   0.557  -2.997  -3.733
+  440TIP3   OH2 7628   0.145  -3.270  -3.073
+  440TIP3    H1 7629   0.071  -3.210  -3.054
+  440TIP3    H2 7630   0.208  -3.212  -3.120
+  441TIP3   OH2 7631   0.952  -4.011  -3.469
+  441TIP3    H1 7632   0.904  -4.067  -3.407
+  441TIP3    H2 7633   0.997  -3.949  -3.410
+  442TIP3   OH2 7634  -0.160  -3.872  -3.324
+  442TIP3    H1 7635  -0.101  -3.806  -3.282
+  442TIP3    H2 7636  -0.113  -3.879  -3.409
+  443TIP3   OH2 7637  -0.062  -3.083  -3.016
+  443TIP3    H1 7638  -0.060  -2.987  -3.034
+  443TIP3    H2 7639  -0.143  -3.089  -2.962
+  444TIP3   OH2 7640  -0.427  -3.113  -3.914
+  444TIP3    H1 7641  -0.443  -3.076  -4.003
+  444TIP3    H2 7642  -0.411  -3.035  -3.858
+  445TIP3   OH2 7643   0.920  -2.968  -3.240
+  445TIP3    H1 7644   0.823  -2.955  -3.237
+  445TIP3    H2 7645   0.948  -2.882  -3.275
+  446TIP3   OH2 7646   0.963  -4.109  -3.065
+  446TIP3    H1 7647   0.882  -4.079  -3.110
+  446TIP3    H2 7648   1.028  -4.099  -3.137
+  447TIP3   OH2 7649   0.276   4.370  -3.328
+  447TIP3    H1 7650   0.272   4.286  -3.375
+  447TIP3    H2 7651   0.186   4.407  -3.333
+  448TIP3   OH2 7652   0.749  -2.773  -3.586
+  448TIP3    H1 7653   0.798  -2.853  -3.613
+  448TIP3    H2 7654   0.819  -2.705  -3.590
+  449TIP3   OH2 7655   0.895  -2.986  -3.719
+  449TIP3    H1 7656   0.845  -3.033  -3.787
+  449TIP3    H2 7657   0.891  -3.050  -3.645
+  450TIP3   OH2 7658   1.050  -3.105  -2.871
+  450TIP3    H1 7659   1.039  -3.169  -2.943
+  450TIP3    H2 7660   1.062  -3.021  -2.920
+  451TIP3   OH2 7661   0.480  -3.415  -3.906
+  451TIP3    H1 7662   0.413  -3.355  -3.944
+  451TIP3    H2 7663   0.553  -3.408  -3.968
+  452TIP3   OH2 7664   0.494  -3.591  -4.207
+  452TIP3    H1 7665   0.561  -3.562  -4.143
+  452TIP3    H2 7666   0.549  -3.652  -4.262
+  453TIP3   OH2 7667   1.226  -3.488  -3.077
+  453TIP3    H1 7668   1.153  -3.423  -3.068
+  453TIP3    H2 7669   1.273  -3.453  -3.155
+  454TIP3   OH2 7670   0.827  -3.415  -3.795
+  454TIP3    H1 7671   0.758  -3.394  -3.728
+  454TIP3    H2 7672   0.887  -3.472  -3.742
+  455TIP3   OH2 7673   0.812  -3.562  -2.910
+  455TIP3    H1 7674   0.816  -3.481  -2.857
+  455TIP3    H2 7675   0.746  -3.533  -2.976
+  456TIP3   OH2 7676   0.120  -3.001  -3.342
+  456TIP3    H1 7677   0.121  -3.036  -3.431
+  456TIP3    H2 7678   0.200  -3.043  -3.304
+  457TIP3   OH2 7679   0.028  -3.395  -3.314
+  457TIP3    H1 7680   0.081  -3.462  -3.361
+  457TIP3    H2 7681   0.078  -3.385  -3.230
+  458TIP3   OH2 7682   0.638  -2.904  -3.210
+  458TIP3    H1 7683   0.642  -2.838  -3.139
+  458TIP3    H2 7684   0.617  -2.987  -3.162
+  459TIP3   OH2 7685   0.130  -3.024  -2.783
+  459TIP3    H1 7686   0.080  -2.957  -2.733
+  459TIP3    H2 7687   0.065  -3.050  -2.852
+  460TIP3   OH2 7688   0.735  -3.467  -4.057
+  460TIP3    H1 7689   0.776  -3.443  -3.971
+  460TIP3    H2 7690   0.797  -3.425  -4.120
+  461TIP3   OH2 7691  -0.182  -3.378  -2.880
+  461TIP3    H1 7692  -0.172  -3.327  -2.797
+  461TIP3    H2 7693  -0.276  -3.400  -2.878
+  462TIP3   OH2 7694   0.461  -2.811  -3.692
+  462TIP3    H1 7695   0.517  -2.784  -3.618
+  462TIP3    H2 7696   0.421  -2.727  -3.719
+  463TIP3   OH2 7697  -0.060  -2.807  -2.702
+  463TIP3    H1 7698  -0.072  -2.802  -2.799
+  463TIP3    H2 7699  -0.148  -2.834  -2.670
+  464TIP3   OH2 7700   1.057  -4.338  -4.126
+  464TIP3    H1 7701   0.996  -4.330  -4.050
+  464TIP3    H2 7702   1.119  -4.267  -4.107
+  465TIP3   OH2 7703  -0.129  -3.432  -3.812
+  465TIP3    H1 7704  -0.135  -3.386  -3.897
+  465TIP3    H2 7705  -0.149  -3.524  -3.834
+  466TIP3   OH2 7706   1.183  -2.876  -4.253
+  466TIP3    H1 7707   1.207  -2.792  -4.210
+  466TIP3    H2 7708   1.260  -2.933  -4.235
+  467TIP3   OH2 7709  -0.510  -3.197  -2.994
+  467TIP3    H1 7710  -0.565  -3.196  -3.076
+  467TIP3    H2 7711  -0.504  -3.292  -2.974
+  468TIP3   OH2 7712  -0.510  -2.904  -3.298
+  468TIP3    H1 7713  -0.417  -2.929  -3.289
+  468TIP3    H2 7714  -0.519  -2.842  -3.224
+  469TIP3   OH2 7715   1.329  -2.842  -2.719
+  469TIP3    H1 7716   1.317  -2.937  -2.736
+  469TIP3    H2 7717   1.238  -2.817  -2.690
+  470TIP3   OH2 7718   0.393  -2.919  -2.840
+  470TIP3    H1 7719   0.402  -2.837  -2.787
+  470TIP3    H2 7720   0.304  -2.949  -2.815
+  471TIP3   OH2 7721   0.425  -2.540  -3.847
+  471TIP3    H1 7722   0.423  -2.527  -3.944
+  471TIP3    H2 7723   0.428  -2.449  -3.813
+  472TIP3   OH2 7724  -0.198  -2.628  -3.681
+  472TIP3    H1 7725  -0.181  -2.670  -3.594
+  472TIP3    H2 7726  -0.285  -2.663  -3.702
+  473TIP3   OH2 7727   0.730  -2.566  -4.102
+  473TIP3    H1 7728   0.780  -2.601  -4.177
+  473TIP3    H2 7729   0.748  -2.630  -4.030
+  474TIP3   OH2 7730   0.697  -2.673  -3.849
+  474TIP3    H1 7731   0.607  -2.642  -3.832
+  474TIP3    H2 7732   0.714  -2.727  -3.770
+  475TIP3   OH2 7733   1.009  -3.708  -2.680
+  475TIP3    H1 7734   0.956  -3.669  -2.751
+  475TIP3    H2 7735   1.015  -3.801  -2.709
+  476TIP3   OH2 7736  -0.296  -3.040  -2.865
+  476TIP3    H1 7737  -0.269  -3.088  -2.784
+  476TIP3    H2 7738  -0.368  -3.097  -2.900
+  477TIP3   OH2 7739   0.022  -4.216  -3.277
+  477TIP3    H1 7740  -0.061  -4.244  -3.319
+  477TIP3    H2 7741  -0.007  -4.137  -3.229
+  478TIP3   OH2 7742   0.483  -4.260  -2.915
+  478TIP3    H1 7743   0.498  -4.309  -2.833
+  478TIP3    H2 7744   0.389  -4.277  -2.929
+  479TIP3   OH2 7745   0.779  -3.863  -2.873
+  479TIP3    H1 7746   0.719  -3.875  -2.797
+  479TIP3    H2 7747   0.772  -3.768  -2.892
+  480TIP3   OH2 7748   0.957  -3.386  -4.253
+  480TIP3    H1 7749   0.912  -3.403  -4.337
+  480TIP3    H2 7750   0.987  -3.295  -4.270
+  481TIP3   OH2 7751   0.442  -3.997  -4.213
+  481TIP3    H1 7752   0.387  -3.995  -4.132
+  481TIP3    H2 7753   0.394  -4.065  -4.262
+  482TIP3   OH2 7754   0.005  -3.718  -3.146
+  482TIP3    H1 7755  -0.060  -3.703  -3.076
+  482TIP3    H2 7756   0.003  -3.636  -3.197
+  483TIP3   OH2 7757   0.570  -3.654  -3.785
+  483TIP3    H1 7758   0.528  -3.572  -3.818
+  483TIP3    H2 7759   0.632  -3.674  -3.856
+  484TIP3   OH2 7760   0.483  -3.632  -2.649
+  484TIP3    H1 7761   0.433  -3.707  -2.611
+  484TIP3    H2 7762   0.570  -3.643  -2.606
+  485TIP3   OH2 7763   0.651  -3.711  -3.504
+  485TIP3    H1 7764   0.621  -3.654  -3.578
+  485TIP3    H2 7765   0.669  -3.793  -3.554
+  486TIP3   OH2 7766  -0.259  -3.691  -2.972
+  486TIP3    H1 7767  -0.221  -3.667  -2.887
+  486TIP3    H2 7768  -0.296  -3.779  -2.951
+  487TIP3   OH2 7769   0.117  -3.958  -4.312
+  487TIP3    H1 7770   0.089  -3.984  -4.223
+  487TIP3    H2 7771   0.040  -3.908  -4.344
+  488TIP3   OH2 7772  -0.566  -3.950  -3.601
+  488TIP3    H1 7773  -0.512  -3.962  -3.521
+  488TIP3    H2 7774  -0.517  -3.997  -3.670
+  489TIP3   OH2 7775  -0.424  -3.917  -4.047
+  489TIP3    H1 7776  -0.354  -3.868  -4.093
+  489TIP3    H2 7777  -0.481  -3.845  -4.014
+  490TIP3   OH2 7778   0.560  -3.543  -3.057
+  490TIP3    H1 7779   0.603  -3.615  -3.110
+  490TIP3    H2 7780   0.527  -3.592  -2.981
+  491TIP3   OH2 7781   0.255  -3.967  -3.564
+  491TIP3    H1 7782   0.169  -3.925  -3.546
+  491TIP3    H2 7783   0.293  -3.975  -3.476
+  492TIP3   OH2 7784  -0.241  -3.799  -3.736
+  492TIP3    H1 7785  -0.336  -3.808  -3.724
+  492TIP3    H2 7786  -0.204  -3.889  -3.728
+  493TIP3   OH2 7787   0.087  -3.802  -3.933
+  493TIP3    H1 7788   0.168  -3.781  -3.884
+  493TIP3    H2 7789   0.067  -3.722  -3.982
+  494TIP3   OH2 7790   0.715  -4.031  -3.254
+  494TIP3    H1 7791   0.650  -4.035  -3.182
+  494TIP3    H2 7792   0.662  -4.065  -3.327
+  495TIP3   OH2 7793  -0.050  -3.663  -4.166
+  495TIP3    H1 7794  -0.099  -3.731  -4.215
+  495TIP3    H2 7795   0.035  -3.660  -4.212
+  496TIP3   OH2 7796   1.018  -2.454  -2.589
+  496TIP3    H1 7797   1.043  -2.409  -2.672
+  496TIP3    H2 7798   1.091  -2.426  -2.530
+  497TIP3   OH2 7799  -0.189  -3.194  -2.648
+  497TIP3    H1 7800  -0.121  -3.187  -2.577
+  497TIP3    H2 7801  -0.269  -3.196  -2.592
+  498TIP3   OH2 7802   0.388  -3.677  -3.374
+  498TIP3    H1 7803   0.445  -3.728  -3.431
+  498TIP3    H2 7804   0.354  -3.743  -3.311
+  499TIP3   OH2 7805  -0.100  -4.056  -3.730
+  499TIP3    H1 7806  -0.139  -4.144  -3.730
+  499TIP3    H2 7807  -0.018  -4.068  -3.779
+  500TIP3   OH2 7808   0.279  -3.845  -3.156
+  500TIP3    H1 7809   0.202  -3.785  -3.152
+  500TIP3    H2 7810   0.329  -3.820  -3.076
+  501TIP3   OH2 7811   0.289  -3.209  -3.957
+  501TIP3    H1 7812   0.215  -3.261  -3.992
+  501TIP3    H2 7813   0.273  -3.212  -3.860
+  502TIP3   OH2 7814   1.016  -3.293  -3.087
+  502TIP3    H1 7815   1.065  -3.239  -3.152
+  502TIP3    H2 7816   0.930  -3.305  -3.132
+  503TIP3   OH2 7817   0.711  -3.928  -4.193
+  503TIP3    H1 7818   0.614  -3.938  -4.186
+  503TIP3    H2 7819   0.733  -3.859  -4.127
+  504TIP3   OH2 7820   0.454  -3.210  -2.830
+  504TIP3    H1 7821   0.431  -3.241  -2.741
+  504TIP3    H2 7822   0.428  -3.116  -2.827
+  505TIP3   OH2 7823   0.771  -3.750  -3.990
+  505TIP3    H1 7824   0.855  -3.766  -3.944
+  505TIP3    H2 7825   0.785  -3.661  -4.029
+  506TIP3   OH2 7826   0.538  -3.076  -4.070
+  506TIP3    H1 7827   0.510  -2.987  -4.038
+  506TIP3    H2 7828   0.462  -3.129  -4.041
+  507TIP3   OH2 7829  -0.469  -3.443  -2.850
+  507TIP3    H1 7830  -0.451  -3.487  -2.765
+  507TIP3    H2 7831  -0.525  -3.507  -2.896
+  508TIP3   OH2 7832   0.230  -3.493  -2.657
+  508TIP3    H1 7833   0.202  -3.516  -2.747
+  508TIP3    H2 7834   0.323  -3.521  -2.659
+  509TIP3   OH2 7835   0.684  -2.951  -2.882
+  509TIP3    H1 7836   0.587  -2.941  -2.887
+  509TIP3    H2 7837   0.701  -2.924  -2.790
+  510TIP3   OH2 7838   1.243  -3.738  -4.002
+  510TIP3    H1 7839   1.177  -3.756  -4.072
+  510TIP3    H2 7840   1.254  -3.643  -4.017
+  511TIP3   OH2 7841   1.282  -3.141  -2.724
+  511TIP3    H1 7842   1.188  -3.119  -2.742
+  511TIP3    H2 7843   1.315  -3.158  -2.814
+  512TIP3   OH2 7844   1.068  -2.881  -3.990
+  512TIP3    H1 7845   1.036  -2.957  -3.940
+  512TIP3    H2 7846   1.094  -2.921  -4.075
+  513TIP3   OH2 7847   0.781  -3.350  -3.257
+  513TIP3    H1 7848   0.688  -3.366  -3.281
+  513TIP3    H2 7849   0.825  -3.423  -3.305
+  514TIP3   OH2 7850   0.042  -2.947  -3.654
+  514TIP3    H1 7851   0.092  -2.864  -3.663
+  514TIP3    H2 7852  -0.047  -2.917  -3.677
+  515TIP3   OH2 7853  -0.363  -3.407  -4.243
+  515TIP3    H1 7854  -0.304  -3.379  -4.170
+  515TIP3    H2 7855  -0.448  -3.413  -4.195
+  516TIP3   OH2 7856   0.208  -3.190  -3.686
+  516TIP3    H1 7857   0.179  -3.098  -3.673
+  516TIP3    H2 7858   0.135  -3.240  -3.647
+  517TIP3   OH2 7859   0.245  -2.747  -3.056
+  517TIP3    H1 7860   0.301  -2.672  -3.082
+  517TIP3    H2 7861   0.306  -2.797  -2.999
+  518TIP3   OH2 7862   0.089  -2.652  -3.734
+  518TIP3    H1 7863  -0.006  -2.636  -3.724
+  518TIP3    H2 7864   0.126  -2.566  -3.708
+  519TIP3   OH2 7865   0.586  -3.172  -3.099
+  519TIP3    H1 7866   0.558  -3.200  -3.010
+  519TIP3    H2 7867   0.659  -3.233  -3.116
+  520TIP3   OH2 7868   0.796  -3.029  -4.200
+  520TIP3    H1 7869   0.852  -3.072  -4.133
+  520TIP3    H2 7870   0.709  -3.048  -4.160
+  521TIP3   OH2 7871   0.880  -2.715  -2.859
+  521TIP3    H1 7872   0.804  -2.759  -2.902
+  521TIP3    H2 7873   0.892  -2.635  -2.913
+  522TIP3   OH2 7874   1.293  -2.598  -4.160
+  522TIP3    H1 7875   1.360  -2.528  -4.145
+  522TIP3    H2 7876   1.210  -2.550  -4.140
+  523TIP3   OH2 7877  -0.332  -3.960  -2.896
+  523TIP3    H1 7878  -0.425  -3.943  -2.924
+  523TIP3    H2 7879  -0.346  -4.046  -2.850
+  524TIP3   OH2 7880   0.899  -3.182  -3.969
+  524TIP3    H1 7881   0.873  -3.253  -3.907
+  524TIP3    H2 7882   0.997  -3.185  -3.961
+  525TIP3   OH2 7883  -0.356  -2.805  -3.051
+  525TIP3    H1 7884  -0.329  -2.895  -3.026
+  525TIP3    H2 7885  -0.338  -2.758  -2.968
+  526TIP3   OH2 7886   0.247  -2.939  -4.337
+  526TIP3    H1 7887   0.289  -3.023  -4.364
+  526TIP3    H2 7888   0.200  -2.967  -4.256
+  527TIP3   OH2 7889   0.104  -2.988  -4.075
+  527TIP3    H1 7890   0.160  -3.039  -4.015
+  527TIP3    H2 7891   0.125  -2.896  -4.049
+  528TIP3   OH2 7892  -0.209  -3.251  -4.043
+  528TIP3    H1 7893  -0.282  -3.215  -3.990
+  528TIP3    H2 7894  -0.159  -3.170  -4.064
+  529TIP3   OH2 7895   0.551  -4.004  -3.022
+  529TIP3    H1 7896   0.619  -3.982  -2.957
+  529TIP3    H2 7897   0.519  -4.091  -2.992
+  530TIP3   OH2 7898   0.640  -4.050  -3.923
+  530TIP3    H1 7899   0.656  -3.985  -3.993
+  530TIP3    H2 7900   0.670  -4.002  -3.844
+  531TIP3   OH2 7901   0.399  -2.827  -4.030
+  531TIP3    H1 7902   0.325  -2.772  -4.000
+  531TIP3    H2 7903   0.456  -2.761  -4.071
+  532TIP3   OH2 7904   0.364  -3.855  -3.805
+  532TIP3    H1 7905   0.438  -3.793  -3.788
+  532TIP3    H2 7906   0.327  -3.868  -3.716
+  533TIP3   OH2 7907   0.400  -3.759  -2.899
+  533TIP3    H1 7908   0.413  -3.711  -2.815
+  533TIP3    H2 7909   0.455  -3.837  -2.887
+  534TIP3   OH2 7910   0.440  -4.166  -3.714
+  534TIP3    H1 7911   0.409  -4.090  -3.662
+  534TIP3    H2 7912   0.496  -4.124  -3.782
+  535TIP3   OH2 7913   0.117  -2.706  -4.026
+  535TIP3    H1 7914   0.127  -2.621  -4.074
+  535TIP3    H2 7915   0.109  -2.677  -3.933
+  536TIP3   OH2 7916  -0.011  -4.035  -4.057
+  536TIP3    H1 7917  -0.008  -3.953  -4.003
+  536TIP3    H2 7918   0.075  -4.074  -4.030
+  537TIP3   OH2 7919   1.041  -3.963  -2.819
+  537TIP3    H1 7920   0.944  -3.952  -2.826
+  537TIP3    H2 7921   1.059  -3.990  -2.910
+  538TIP3   OH2 7922   0.882  -3.574  -3.410
+  538TIP3    H1 7923   0.798  -3.619  -3.434
+  538TIP3    H2 7924   0.930  -3.646  -3.362
+  539TIP3   OH2 7925  -0.166  -2.955  -4.178
+  539TIP3    H1 7926  -0.097  -2.915  -4.123
+  539TIP3    H2 7927  -0.112  -3.020  -4.227
+  540TIP3   OH2 7928  -0.336  -3.733  -4.271
+  540TIP3    H1 7929  -0.327  -3.644  -4.232
+  540TIP3    H2 7930  -0.431  -3.744  -4.282
+  541TIP3   OH2 7931   0.984  -2.690  -3.272
+  541TIP3    H1 7932   0.967  -2.606  -3.319
+  541TIP3    H2 7933   1.076  -2.677  -3.244
+  542TIP3   OH2 7934  -0.338  -4.243  -3.357
+  542TIP3    H1 7935  -0.294  -4.242  -3.443
+  542TIP3    H2 7936  -0.314  -4.333  -3.328
+  543TIP3   OH2 7937  -0.368  -2.888  -3.746
+  543TIP3    H1 7938  -0.446  -2.836  -3.724
+  543TIP3    H2 7939  -0.328  -2.835  -3.816
+  544TIP3   OH2 7940  -0.425  -2.599  -2.629
+  544TIP3    H1 7941  -0.368  -2.626  -2.555
+  544TIP3    H2 7942  -0.464  -2.684  -2.656
+  545TIP3   OH2 7943   0.036  -2.695  -2.449
+  545TIP3    H1 7944   0.112  -2.752  -2.428
+  545TIP3    H2 7945   0.021  -2.719  -2.542
+  546TIP3   OH2 7946   0.468  -2.757  -4.330
+  546TIP3    H1 7947   0.387  -2.811  -4.326
+  546TIP3    H2 7948   0.532  -2.826  -4.356
+  547TIP3   OH2 7949   0.691  -2.865  -2.592
+  547TIP3    H1 7950   0.654  -2.947  -2.554
+  547TIP3    H2 7951   0.761  -2.842  -2.528
+  548TIP3   OH2 7952   0.867  -2.822   4.283
+  548TIP3    H1 7953   0.856  -2.868   4.368
+  548TIP3    H2 7954   0.958  -2.791   4.285
+  549TIP3   OH2 7955  -0.429  -3.236  -2.515
+  549TIP3    H1 7956  -0.420  -3.326  -2.549
+  549TIP3    H2 7957  -0.506  -3.205  -2.566
+  550TIP3   OH2 7958  -0.047  -3.187  -4.311
+  550TIP3    H1 7959  -0.001  -3.244  -4.247
+  550TIP3    H2 7960   0.022  -3.175  -4.380
+  551TIP3   OH2 7961   0.228  -3.217  -2.581
+  551TIP3    H1 7962   0.204  -3.184  -2.669
+  551TIP3    H2 7963   0.240  -3.312  -2.596
+  552TIP3   OH2 7964   0.527  -3.075  -4.347
+  552TIP3    H1 7965   0.542  -3.065  -4.251
+  552TIP3    H2 7966   0.590  -3.145  -4.371
+  553TIP3   OH2 7967   0.769  -3.253  -2.844
+  553TIP3    H1 7968   0.849  -3.201  -2.862
+  553TIP3    H2 7969   0.701  -3.184  -2.846
+  554TIP3   OH2 7970  -0.343  -3.521  -2.601
+  554TIP3    H1 7971  -0.269  -3.585  -2.601
+  554TIP3    H2 7972  -0.350  -3.503  -2.506
+  555TIP3   OH2 7973   0.098  -3.386  -4.084
+  555TIP3    H1 7974   0.047  -3.439  -4.022
+  555TIP3    H2 7975   0.133  -3.454  -4.144
+  556TIP3   OH2 7976   0.017  -3.611  -2.861
+  556TIP3    H1 7977  -0.027  -3.529  -2.833
+  556TIP3    H2 7978   0.088  -3.577  -2.919
+  557TIP3   OH2 7979   0.215  -3.566  -4.281
+  557TIP3    H1 7980   0.225  -3.597  -4.373
+  557TIP3    H2 7981   0.309  -3.572  -4.252
+  558TIP3   OH2 7982   0.551  -3.338  -2.502
+  558TIP3    H1 7983   0.642  -3.356  -2.530
+  558TIP3    H2 7984   0.527  -3.421  -2.458
+  559TIP3   OH2 7985   0.079  -3.880  -2.745
+  559TIP3    H1 7986   0.089  -3.946  -2.816
+  559TIP3    H2 7987   0.061  -3.799  -2.796
+  560TIP3   OH2 7988   0.119  -4.036  -3.003
+  560TIP3    H1 7989   0.172  -3.983  -3.065
+  560TIP3    H2 7990   0.028  -4.025  -3.039
+  561TIP3   OH2 7991   0.265  -3.489  -2.956
+  561TIP3    H1 7992   0.351  -3.499  -3.001
+  561TIP3    H2 7993   0.239  -3.400  -2.986
+  562TIP3   OH2 7994   0.726  -3.694  -2.480
+  562TIP3    H1 7995   0.747  -3.787  -2.461
+  562TIP3    H2 7996   0.815  -3.655  -2.481
+  563TIP3   OH2 7997   0.824  -3.415  -2.630
+  563TIP3    H1 7998   0.790  -3.354  -2.698
+  563TIP3    H2 7999   0.914  -3.431  -2.666
+  564TIP3   OH2 8000  -0.099  -3.695  -2.564
+  564TIP3    H1 8001  -0.150  -3.778  -2.562
+  564TIP3    H2 8002  -0.017  -3.724  -2.607
+  565TIP3   OH2 8003   0.173  -4.276  -2.872
+  565TIP3    H1 8004   0.175  -4.188  -2.914
+  565TIP3    H2 8005   0.096  -4.315  -2.917
+  566TIP3   OH2 8006   0.314  -3.843  -2.585
+  566TIP3    H1 8007   0.284  -3.871  -2.497
+  566TIP3    H2 8008   0.234  -3.864  -2.637
+  567TIP3   OH2 8009   0.575  -3.944  -2.686
+  567TIP3    H1 8010   0.485  -3.931  -2.650
+  567TIP3    H2 8011   0.611  -4.010  -2.624
+  568TIP3   OH2 8012   0.747  -4.136  -2.517
+  568TIP3    H1 8013   0.729  -4.223  -2.479
+  568TIP3    H2 8014   0.731  -4.076  -2.442
+  569TIP3   OH2 8015  -0.220  -3.958  -2.575
+  569TIP3    H1 8016  -0.244  -4.020  -2.646
+  569TIP3    H2 8017  -0.263  -3.999  -2.498
+  570TIP3   OH2 8018   0.276  -4.146  -2.476
+  570TIP3    H1 8019   0.255  -4.229  -2.522
+  570TIP3    H2 8020   0.190  -4.100  -2.471
+  571TIP3   OH2 8021   0.177  -2.463  -4.174
+  571TIP3    H1 8022   0.273  -2.448  -4.161
+  571TIP3    H2 8023   0.154  -2.397  -4.241
+  572TIP3   OH2 8024  -0.434  -3.062  -4.185
+  572TIP3    H1 8025  -0.351  -3.013  -4.198
+  572TIP3    H2 8026  -0.467  -3.079  -4.275
+  573TIP3   OH2 8027  -0.534  -2.503  -3.721
+  573TIP3    H1 8028  -0.607  -2.537  -3.776
+  573TIP3    H2 8029  -0.530  -2.569  -3.650
+  574TIP3   OH2 8030  -0.497  -2.699  -3.520
+  574TIP3    H1 8031  -0.529  -2.785  -3.488
+  574TIP3    H2 8032  -0.464  -2.663  -3.437
+  575TIP3   OH2 8033   1.257  -2.578  -3.221
+  575TIP3    H1 8034   1.267  -2.569  -3.125
+  575TIP3    H2 8035   1.340  -2.539  -3.251
+  576TIP3   OH2 8036   1.243  -2.627  -2.931
+  576TIP3    H1 8037   1.194  -2.703  -2.967
+  576TIP3    H2 8038   1.301  -2.671  -2.867
+  577TIP3   OH2 8039   1.045  -3.085  -2.503
+  577TIP3    H1 8040   0.957  -3.077  -2.463
+  577TIP3    H2 8041   1.090  -3.005  -2.471
+  578TIP3   OH2 8042   1.185  -3.202  -3.930
+  578TIP3    H1 8043   1.275  -3.166  -3.916
+  578TIP3    H2 8044   1.180  -3.265  -3.856
+  579TIP3   OH2 8045   1.231  -3.402  -3.732
+  579TIP3    H1 8046   1.163  -3.456  -3.687
+  579TIP3    H2 8047   1.298  -3.388  -3.663
+  580TIP3   OH2 8048   1.203  -3.149  -3.234
+  580TIP3    H1 8049   1.266  -3.197  -3.289
+  580TIP3    H2 8050   1.217  -3.057  -3.264
+  581TIP3   OH2 8051   1.075  -2.858  -3.010
+  581TIP3    H1 8052   1.003  -2.817  -2.959
+  581TIP3    H2 8053   1.028  -2.894  -3.087
+  582TIP3   OH2 8054   1.258  -3.434  -4.109
+  582TIP3    H1 8055   1.196  -3.403  -4.176
+  582TIP3    H2 8056   1.241  -3.368  -4.039
+  583TIP3   OH2 8057   1.077  -3.696  -4.219
+  583TIP3    H1 8058   1.110  -3.621  -4.270
+  583TIP3    H2 8059   1.123  -3.770  -4.261
+  584TIP3   OH2 8060   1.025  -3.585  -3.650
+  584TIP3    H1 8061   1.016  -3.680  -3.667
+  584TIP3    H2 8062   0.986  -3.576  -3.560
+  585TIP3   OH2 8063  -0.471  -3.363  -3.322
+  585TIP3    H1 8064  -0.456  -3.426  -3.393
+  585TIP3    H2 8065  -0.401  -3.388  -3.259
+  586TIP3   OH2 8066   1.085  -3.393  -2.736
+  586TIP3    H1 8067   1.159  -3.455  -2.718
+  586TIP3    H2 8068   1.132  -3.310  -2.754
+  587TIP3   OH2 8069   1.241  -3.583  -2.616
+  587TIP3    H1 8070   1.161  -3.636  -2.638
+  587TIP3    H2 8071   1.310  -3.652  -2.616
+  588TIP3   OH2 8072   1.005  -4.028  -4.340
+  588TIP3    H1 8073   1.062  -4.043  -4.264
+  588TIP3    H2 8074   0.915  -4.045  -4.307
+  589TIP3   OH2 8075   1.002  -3.826  -3.837
+  589TIP3    H1 8076   1.021  -3.922  -3.828
+  589TIP3    H2 8077   1.087  -3.794  -3.871
+  590TIP3   OH2 8078   1.034  -3.773  -3.292
+  590TIP3    H1 8079   1.132  -3.768  -3.292
+  590TIP3    H2 8080   1.018  -3.777  -3.196
+  591TIP3   OH2 8081   1.049  -3.707  -3.006
+  591TIP3    H1 8082   0.964  -3.665  -2.980
+  591TIP3    H2 8083   1.103  -3.628  -3.028
+  592TIP3   OH2 8084  -0.505  -3.835  -2.626
+  592TIP3    H1 8085  -0.413  -3.859  -2.644
+  592TIP3    H2 8086  -0.549  -3.921  -2.630
+  593TIP3   OH2 8087   1.262  -4.281  -2.430
+  593TIP3    H1 8088   1.316  -4.357  -2.454
+  593TIP3    H2 8089   1.265  -4.220  -2.507
+  594TIP3   OH2 8090   1.037  -4.097  -3.824
+  594TIP3    H1 8091   1.056  -4.148  -3.744
+  594TIP3    H2 8092   0.976  -4.158  -3.869
+  595TIP3   OH2 8093  -0.427  -3.989  -3.357
+  595TIP3    H1 8094  -0.400  -4.083  -3.347
+  595TIP3    H2 8095  -0.343  -3.945  -3.333
+  596TIP3   OH2 8096  -0.567  -3.726  -3.259
+  596TIP3    H1 8097  -0.508  -3.737  -3.335
+  596TIP3    H2 8098  -0.527  -3.653  -3.211
+  597TIP3   OH2 8099   1.244  -4.113  -2.644
+  597TIP3    H1 8100   1.159  -4.065  -2.635
+  597TIP3    H2 8101   1.233  -4.147  -2.735
+  598TIP3   OH2 8102   1.257  -4.072  -4.174
+  598TIP3    H1 8103   1.281  -4.147  -4.230
+  598TIP3    H2 8104   1.338  -4.020  -4.171
+  599TIP3   OH2 8105  -0.516  -4.097  -3.850
+  599TIP3    H1 8106  -0.610  -4.095  -3.873
+  599TIP3    H2 8107  -0.476  -4.034  -3.912
+  600TIP3   OH2 8108   0.942  -2.571  -3.642
+  600TIP3    H1 8109   0.993  -2.597  -3.720
+  600TIP3    H2 8110   1.010  -2.531  -3.586
+  601TIP3   OH2 8111  -0.541  -4.125  -3.000
+  601TIP3    H1 8112  -0.540  -4.218  -2.971
+  601TIP3    H2 8113  -0.554  -4.137  -3.095
+  602TIP3   OH2 8114  -0.316  -2.901  -2.565
+  602TIP3    H1 8115  -0.387  -2.899  -2.631
+  602TIP3    H2 8116  -0.364  -2.895  -2.482
+  603TIP3   OH2 8117  -0.031  -2.800  -3.001
+  603TIP3    H1 8118  -0.062  -2.714  -3.034
+  603TIP3    H2 8119   0.065  -2.789  -3.017
+  604TIP3   OH2 8120   0.419  -2.668  -2.698
+  604TIP3    H1 8121   0.435  -2.685  -2.604
+  604TIP3    H2 8122   0.502  -2.623  -2.724
+  605TIP3   OH2 8123   0.647  -2.523  -2.775
+  605TIP3    H1 8124   0.717  -2.586  -2.797
+  605TIP3    H2 8125   0.678  -2.490  -2.688
+  606TIP3   OH2 8126   1.108  -4.276  -2.854
+  606TIP3    H1 8127   1.056  -4.215  -2.909
+  606TIP3    H2 8128   1.126  -4.345  -2.920
+  607TIP3   OH2 8129  -0.296  -2.505  -2.966
+  607TIP3    H1 8130  -0.354  -2.440  -3.010
+  607TIP3    H2 8131  -0.327  -2.497  -2.875
+  608TIP3   OH2 8132  -0.046  -2.526  -3.112
+  608TIP3    H1 8133  -0.130  -2.505  -3.068
+  608TIP3    H2 8134  -0.040  -2.456  -3.180
+  609TIP3   OH2 8135   0.428  -2.526  -3.155
+  609TIP3    H1 8136   0.394  -2.479  -3.233
+  609TIP3    H2 8137   0.439  -2.452  -3.092
+  610TIP3   OH2 8138   0.664  -2.654  -3.064
+  610TIP3    H1 8139   0.580  -2.617  -3.096
+  610TIP3    H2 8140   0.721  -2.576  -3.064
+  611TIP3   OH2 8141   0.915  -2.482  -3.043
+  611TIP3    H1 8142   0.914  -2.386  -3.062
+  611TIP3    H2 8143   0.946  -2.516  -3.129
+  612TIP3   OH2 8144  -0.337  -2.624  -3.273
+  612TIP3    H1 8145  -0.338  -2.671  -3.186
+  612TIP3    H2 8146  -0.259  -2.666  -3.315
+  613TIP3   OH2 8147  -0.135  -2.752  -3.425
+  613TIP3    H1 8148  -0.147  -2.847  -3.401
+  613TIP3    H2 8149  -0.043  -2.735  -3.394
+  614TIP3   OH2 8150   0.139  -2.702  -3.339
+  614TIP3    H1 8151   0.162  -2.794  -3.361
+  614TIP3    H2 8152   0.149  -2.703  -3.243
+  615TIP3   OH2 8153   0.476  -4.115  -3.412
+  615TIP3    H1 8154   0.416  -4.183  -3.378
+  615TIP3    H2 8155   0.530  -4.166  -3.474
+  616TIP3   OH2 8156   0.994  -4.326  -3.360
+  616TIP3    H1 8157   1.054  -4.291  -3.428
+  616TIP3    H2 8158   0.907  -4.317  -3.402
+  617TIP3   OH2 8159   1.205  -4.228  -3.579
+  617TIP3    H1 8160   1.246  -4.245  -3.665
+  617TIP3    H2 8161   1.211  -4.132  -3.570
+  618TIP3   OH2 8162  -0.296  -4.281  -3.683
+  618TIP3    H1 8163  -0.386  -4.312  -3.699
+  618TIP3    H2 8164  -0.253  -4.359  -3.647
+  619TIP3   OH2 8165  -0.434  -4.282  -4.067
+  619TIP3    H1 8166  -0.382  -4.232  -4.133
+  619TIP3    H2 8167  -0.467  -4.211  -4.010
+  620TIP3   OH2 8168   0.171  -4.275  -3.674
+  620TIP3    H1 8169   0.259  -4.234  -3.672
+  620TIP3    H2 8170   0.150  -4.285  -3.581
+  621TIP3   OH2 8171   0.730  -4.272  -3.517
+  621TIP3    H1 8172   0.722  -4.270  -3.613
+  621TIP3    H2 8173   0.686  -4.359  -3.498
+  622TIP3   OH2 8174   0.826  -4.274  -3.932
+  622TIP3    H1 8175   0.748  -4.216  -3.946
+  622TIP3    H2 8176   0.785  -4.356  -3.900
+  623TIP3   OH2 8177  -0.401  -2.697  -3.966
+  623TIP3    H1 8178  -0.475  -2.697  -4.030
+  623TIP3    H2 8179  -0.402  -2.604  -3.940
+  624TIP3   OH2 8180  -0.238  -4.120  -4.222
+  624TIP3    H1 8181  -0.175  -4.163  -4.281
+  624TIP3    H2 8182  -0.178  -4.063  -4.170
+  625TIP3   OH2 8183   0.275  -4.058  -3.984
+  625TIP3    H1 8184   0.294  -4.144  -3.942
+  625TIP3    H2 8185   0.300  -3.994  -3.914
+  626TIP3   OH2 8186   0.460  -2.530  -4.146
+  626TIP3    H1 8187   0.557  -2.515  -4.137
+  626TIP3    H2 8188   0.460  -2.591  -4.222
+  627TIP3   OH2 8189   1.138  -2.613  -3.884
+  627TIP3    H1 8190   1.108  -2.696  -3.927
+  627TIP3    H2 8191   1.115  -2.546  -3.951
+  628TIP3   OH2 8192  -0.330  -4.177  -2.732
+  628TIP3    H1 8193  -0.376  -4.256  -2.700
+  628TIP3    H2 8194  -0.242  -4.216  -2.745
+  629TIP3   OH2 8195  -0.038  -4.278  -2.467
+  629TIP3    H1 8196   0.049  -4.304  -2.506
+  629TIP3    H2 8197  -0.063  -4.358  -2.420
+  630TIP3   OH2 8198  -0.207  -2.589  -4.231
+  630TIP3    H1 8199  -0.245  -2.561  -4.147
+  630TIP3    H2 8200  -0.136  -2.648  -4.205
+  631TIP3   OH2 8201   1.077  -2.734  -2.641
+  631TIP3    H1 8202   1.003  -2.752  -2.701
+  631TIP3    H2 8203   1.061  -2.640  -2.621
+  632TIP3   OH2 8204   2.497  -3.368  -3.628
+  632TIP3    H1 8205   2.497  -3.272  -3.614
+  632TIP3    H2 8206   2.418  -3.379  -3.683
+  633TIP3   OH2 8207   2.382  -3.422  -3.321
+  633TIP3    H1 8208   2.381  -3.477  -3.240
+  633TIP3    H2 8209   2.353  -3.486  -3.388
+  634TIP3   OH2 8210   1.631  -3.464  -3.154
+  634TIP3    H1 8211   1.628  -3.539  -3.091
+  634TIP3    H2 8212   1.699  -3.409  -3.113
+  635TIP3   OH2 8213   2.748  -3.149  -3.488
+  635TIP3    H1 8214   2.713  -3.219  -3.432
+  635TIP3    H2 8215   2.782  -3.087  -3.422
+  636TIP3   OH2 8216   1.696  -2.998  -3.306
+  636TIP3    H1 8217   1.671  -3.091  -3.329
+  636TIP3    H2 8218   1.788  -3.013  -3.279
+  637TIP3   OH2 8219   1.397  -3.659  -3.765
+  637TIP3    H1 8220   1.354  -3.573  -3.751
+  637TIP3    H2 8221   1.324  -3.711  -3.802
+  638TIP3   OH2 8222   1.476  -3.414  -3.579
+  638TIP3    H1 8223   1.490  -3.497  -3.529
+  638TIP3    H2 8224   1.560  -3.405  -3.625
+  639TIP3   OH2 8225   2.456  -2.612  -3.432
+  639TIP3    H1 8226   2.514  -2.684  -3.464
+  639TIP3    H2 8227   2.428  -2.646  -3.346
+  640TIP3   OH2 8228   2.231  -3.171  -3.265
+  640TIP3    H1 8229   2.264  -3.244  -3.320
+  640TIP3    H2 8230   2.311  -3.155  -3.212
+  641TIP3   OH2 8231   3.086  -4.017  -3.207
+  641TIP3    H1 8232   3.119  -3.972  -3.128
+  641TIP3    H2 8233   3.151  -3.987  -3.273
+  642TIP3   OH2 8234   2.559  -3.740  -3.211
+  642TIP3    H1 8235   2.579  -3.836  -3.210
+  642TIP3    H2 8236   2.550  -3.724  -3.307
+  643TIP3   OH2 8237   1.856  -3.941  -3.503
+  643TIP3    H1 8238   1.871  -3.856  -3.548
+  643TIP3    H2 8239   1.821  -3.994  -3.577
+  644TIP3   OH2 8240   2.644  -3.924  -3.672
+  644TIP3    H1 8241   2.703  -3.967  -3.607
+  644TIP3    H2 8242   2.708  -3.878  -3.728
+  645TIP3   OH2 8243   1.528  -3.661  -3.455
+  645TIP3    H1 8244   1.586  -3.711  -3.396
+  645TIP3    H2 8245   1.533  -3.713  -3.537
+  646TIP3   OH2 8246   2.066  -3.525  -3.510
+  646TIP3    H1 8247   2.135  -3.580  -3.469
+  646TIP3    H2 8248   2.014  -3.592  -3.558
+  647TIP3   OH2 8249   3.180  -3.848  -2.941
+  647TIP3    H1 8250   3.105  -3.796  -2.976
+  647TIP3    H2 8251   3.141  -3.889  -2.864
+  648TIP3   OH2 8252   1.737  -4.056  -3.087
+  648TIP3    H1 8253   1.702  -4.001  -3.159
+  648TIP3    H2 8254   1.670  -4.037  -3.018
+  649TIP3   OH2 8255   2.486  -3.083  -3.750
+  649TIP3    H1 8256   2.452  -3.104  -3.838
+  649TIP3    H2 8257   2.443  -2.998  -3.731
+  650TIP3   OH2 8258   2.031  -3.270  -3.077
+  650TIP3    H1 8259   1.957  -3.211  -3.050
+  650TIP3    H2 8260   2.092  -3.207  -3.119
+  651TIP3   OH2 8261   2.833  -4.013  -3.467
+  651TIP3    H1 8262   2.785  -4.060  -3.398
+  651TIP3    H2 8263   2.885  -3.950  -3.415
+  652TIP3   OH2 8264   1.698  -3.855  -3.293
+  652TIP3    H1 8265   1.760  -3.795  -3.249
+  652TIP3    H2 8266   1.755  -3.890  -3.365
+  653TIP3   OH2 8267   1.829  -3.083  -3.006
+  653TIP3    H1 8268   1.826  -2.990  -3.033
+  653TIP3    H2 8269   1.743  -3.089  -2.960
+  654TIP3   OH2 8270   1.462  -3.112  -3.919
+  654TIP3    H1 8271   1.440  -3.069  -4.003
+  654TIP3    H2 8272   1.476  -3.038  -3.857
+  655TIP3   OH2 8273   2.805  -2.967  -3.239
+  655TIP3    H1 8274   2.709  -2.953  -3.237
+  655TIP3    H2 8275   2.836  -2.882  -3.275
+  656TIP3   OH2 8276   2.849  -4.110  -3.066
+  656TIP3    H1 8277   2.768  -4.078  -3.109
+  656TIP3    H2 8278   2.915  -4.097  -3.136
+  657TIP3   OH2 8279   2.159   4.381  -3.365
+  657TIP3    H1 8280   2.154   4.286  -3.353
+  657TIP3    H2 8281   2.072   4.413  -3.332
+  658TIP3   OH2 8282   2.636  -2.772  -3.584
+  658TIP3    H1 8283   2.684  -2.852  -3.614
+  658TIP3    H2 8284   2.706  -2.705  -3.592
+  659TIP3   OH2 8285   2.779  -2.985  -3.719
+  659TIP3    H1 8286   2.730  -3.033  -3.787
+  659TIP3    H2 8287   2.777  -3.050  -3.646
+  660TIP3   OH2 8288   2.934  -3.105  -2.871
+  660TIP3    H1 8289   2.925  -3.170  -2.943
+  660TIP3    H2 8290   2.949  -3.022  -2.920
+  661TIP3   OH2 8291   2.364  -3.420  -3.907
+  661TIP3    H1 8292   2.298  -3.355  -3.938
+  661TIP3    H2 8293   2.437  -3.405  -3.968
+  662TIP3   OH2 8294   2.385  -3.590  -4.213
+  662TIP3    H1 8295   2.448  -3.562  -4.145
+  662TIP3    H2 8296   2.441  -3.652  -4.265
+  663TIP3   OH2 8297   3.110  -3.489  -3.077
+  663TIP3    H1 8298   3.039  -3.422  -3.069
+  663TIP3    H2 8299   3.160  -3.454  -3.154
+  664TIP3   OH2 8300   2.711  -3.417  -3.795
+  664TIP3    H1 8301   2.644  -3.395  -3.727
+  664TIP3    H2 8302   2.774  -3.470  -3.742
+  665TIP3   OH2 8303   2.697  -3.562  -2.910
+  665TIP3    H1 8304   2.703  -3.481  -2.857
+  665TIP3    H2 8305   2.632  -3.532  -2.976
+  666TIP3   OH2 8306   1.873  -3.337  -3.617
+  666TIP3    H1 8307   1.842  -3.381  -3.698
+  666TIP3    H2 8308   1.937  -3.402  -3.582
+  667TIP3   OH2 8309   2.010  -2.995  -3.343
+  667TIP3    H1 8310   1.998  -3.038  -3.429
+  667TIP3    H2 8311   2.088  -3.042  -3.309
+  668TIP3   OH2 8312   1.933  -3.458  -3.267
+  668TIP3    H1 8313   1.990  -3.452  -3.345
+  668TIP3    H2 8314   1.970  -3.389  -3.208
+  669TIP3   OH2 8315   2.523  -2.902  -3.208
+  669TIP3    H1 8316   2.530  -2.838  -3.135
+  669TIP3    H2 8317   2.503  -2.986  -3.163
+  670TIP3   OH2 8318   2.015  -3.025  -2.784
+  670TIP3    H1 8319   1.964  -2.958  -2.734
+  670TIP3    H2 8320   1.950  -3.050  -2.852
+  671TIP3   OH2 8321   2.622  -3.469  -4.057
+  671TIP3    H1 8322   2.661  -3.443  -3.971
+  671TIP3    H2 8323   2.684  -3.425  -4.119
+  672TIP3   OH2 8324   1.709  -3.385  -2.872
+  672TIP3    H1 8325   1.714  -3.327  -2.793
+  672TIP3    H2 8326   1.612  -3.398  -2.879
+  673TIP3   OH2 8327   2.351  -2.810  -3.694
+  673TIP3    H1 8328   2.404  -2.784  -3.618
+  673TIP3    H2 8329   2.305  -2.728  -3.718
+  674TIP3   OH2 8330   1.826  -2.809  -2.702
+  674TIP3    H1 8331   1.812  -2.804  -2.798
+  674TIP3    H2 8332   1.737  -2.833  -2.668
+  675TIP3   OH2 8333   2.940  -4.335  -4.128
+  675TIP3    H1 8334   2.892  -4.332  -4.043
+  675TIP3    H2 8335   3.006  -4.266  -4.112
+  676TIP3   OH2 8336   1.767  -3.464  -3.865
+  676TIP3    H1 8337   1.741  -3.387  -3.919
+  676TIP3    H2 8338   1.697  -3.527  -3.885
+  677TIP3   OH2 8339   3.069  -2.882  -4.246
+  677TIP3    H1 8340   3.095  -2.794  -4.217
+  677TIP3    H2 8341   3.151  -2.933  -4.237
+  678TIP3   OH2 8342   1.371  -3.196  -2.990
+  678TIP3    H1 8343   1.326  -3.197  -3.077
+  678TIP3    H2 8344   1.383  -3.291  -2.972
+  679TIP3   OH2 8345   1.376  -2.902  -3.298
+  679TIP3    H1 8346   1.468  -2.932  -3.290
+  679TIP3    H2 8347   1.369  -2.842  -3.222
+  680TIP3   OH2 8348   3.215  -2.840  -2.719
+  680TIP3    H1 8349   3.206  -2.934  -2.741
+  680TIP3    H2 8350   3.123  -2.819  -2.690
+  681TIP3   OH2 8351   2.279  -2.920  -2.840
+  681TIP3    H1 8352   2.287  -2.838  -2.787
+  681TIP3    H2 8353   2.189  -2.950  -2.816
+  682TIP3   OH2 8354   2.309  -2.539  -3.846
+  682TIP3    H1 8355   2.308  -2.528  -3.943
+  682TIP3    H2 8356   2.316  -2.448  -3.814
+  683TIP3   OH2 8357   1.687  -2.625  -3.680
+  683TIP3    H1 8358   1.705  -2.669  -3.594
+  683TIP3    H2 8359   1.603  -2.666  -3.703
+  684TIP3   OH2 8360   2.619  -2.567  -4.107
+  684TIP3    H1 8361   2.673  -2.608  -4.175
+  684TIP3    H2 8362   2.627  -2.628  -4.031
+  685TIP3   OH2 8363   2.581  -2.665  -3.853
+  685TIP3    H1 8364   2.489  -2.642  -3.831
+  685TIP3    H2 8365   2.602  -2.726  -3.781
+  686TIP3   OH2 8366   2.894  -3.709  -2.679
+  686TIP3    H1 8367   2.842  -3.668  -2.750
+  686TIP3    H2 8368   2.900  -3.801  -2.711
+  687TIP3   OH2 8369   1.590  -3.042  -2.867
+  687TIP3    H1 8370   1.617  -3.087  -2.784
+  687TIP3    H2 8371   1.516  -3.096  -2.898
+  688TIP3   OH2 8372   1.912  -4.219  -3.274
+  688TIP3    H1 8373   1.830  -4.246  -3.318
+  688TIP3    H2 8374   1.883  -4.137  -3.231
+  689TIP3   OH2 8375   2.367  -4.262  -2.916
+  689TIP3    H1 8376   2.384  -4.310  -2.834
+  689TIP3    H2 8377   2.272  -4.277  -2.927
+  690TIP3   OH2 8378   2.665  -3.863  -2.873
+  690TIP3    H1 8379   2.604  -3.874  -2.797
+  690TIP3    H2 8380   2.658  -3.768  -2.892
+  691TIP3   OH2 8381   2.836  -3.385  -4.252
+  691TIP3    H1 8382   2.800  -3.396  -4.341
+  691TIP3    H2 8383   2.876  -3.297  -4.261
+  692TIP3   OH2 8384   2.328  -3.998  -4.214
+  692TIP3    H1 8385   2.273  -3.995  -4.133
+  692TIP3    H2 8386   2.278  -4.063  -4.264
+  693TIP3   OH2 8387   1.895  -3.716  -3.147
+  693TIP3    H1 8388   1.836  -3.704  -3.072
+  693TIP3    H2 8389   1.902  -3.624  -3.183
+  694TIP3   OH2 8390   1.889  -3.708  -3.659
+  694TIP3    H1 8391   1.793  -3.719  -3.674
+  694TIP3    H2 8392   1.923  -3.727  -3.749
+  695TIP3   OH2 8393   2.456  -3.655  -3.786
+  695TIP3    H1 8394   2.416  -3.570  -3.817
+  695TIP3    H2 8395   2.522  -3.671  -3.857
+  696TIP3   OH2 8396   2.370  -3.633  -2.650
+  696TIP3    H1 8397   2.318  -3.705  -2.611
+  696TIP3    H2 8398   2.456  -3.643  -2.605
+  697TIP3   OH2 8399   2.536  -3.712  -3.505
+  697TIP3    H1 8400   2.508  -3.653  -3.578
+  697TIP3    H2 8401   2.556  -3.793  -3.556
+  698TIP3   OH2 8402   1.633  -3.697  -2.966
+  698TIP3    H1 8403   1.656  -3.668  -2.877
+  698TIP3    H2 8404   1.592  -3.784  -2.947
+  699TIP3   OH2 8405   2.005  -3.958  -4.315
+  699TIP3    H1 8406   1.973  -3.985  -4.227
+  699TIP3    H2 8407   1.928  -3.906  -4.347
+  700TIP3   OH2 8408   1.316  -3.946  -3.605
+  700TIP3    H1 8409   1.368  -3.957  -3.523
+  700TIP3    H2 8410   1.365  -3.997  -3.670
+  701TIP3   OH2 8411   1.469  -3.911  -4.039
+  701TIP3    H1 8412   1.526  -3.860  -4.100
+  701TIP3    H2 8413   1.402  -3.844  -4.015
+  702TIP3   OH2 8414   2.445  -3.543  -3.059
+  702TIP3    H1 8415   2.489  -3.616  -3.108
+  702TIP3    H2 8416   2.412  -3.589  -2.981
+  703TIP3   OH2 8417   2.166  -3.944  -3.561
+  703TIP3    H1 8418   2.072  -3.957  -3.539
+  703TIP3    H2 8419   2.210  -3.971  -3.479
+  704TIP3   OH2 8420   1.627  -3.826  -3.693
+  704TIP3    H1 8421   1.542  -3.801  -3.732
+  704TIP3    H2 8422   1.650  -3.909  -3.738
+  705TIP3   OH2 8423   1.984  -3.788  -3.923
+  705TIP3    H1 8424   2.080  -3.782  -3.917
+  705TIP3    H2 8425   1.960  -3.728  -3.995
+  706TIP3   OH2 8426   2.601  -4.033  -3.256
+  706TIP3    H1 8427   2.538  -4.035  -3.181
+  706TIP3    H2 8428   2.542  -4.064  -3.327
+  707TIP3   OH2 8429   1.843  -3.673  -4.158
+  707TIP3    H1 8430   1.780  -3.721  -4.213
+  707TIP3    H2 8431   1.917  -3.657  -4.218
+  708TIP3   OH2 8432   2.902  -2.448  -2.587
+  708TIP3    H1 8433   2.935  -2.422  -2.675
+  708TIP3    H2 8434   2.978  -2.429  -2.529
+  709TIP3   OH2 8435   1.697  -3.195  -2.647
+  709TIP3    H1 8436   1.764  -3.186  -2.576
+  709TIP3    H2 8437   1.616  -3.197  -2.592
+  710TIP3   OH2 8438   2.268  -3.694  -3.375
+  710TIP3    H1 8439   2.341  -3.738  -3.421
+  710TIP3    H2 8440   2.251  -3.755  -3.301
+  711TIP3   OH2 8441   1.783  -4.067  -3.758
+  711TIP3    H1 8442   1.735  -4.151  -3.744
+  711TIP3    H2 8443   1.870  -4.098  -3.786
+  712TIP3   OH2 8444   2.165  -3.848  -3.149
+  712TIP3    H1 8445   2.088  -3.788  -3.149
+  712TIP3    H2 8446   2.214  -3.821  -3.068
+  713TIP3   OH2 8447   2.182  -3.212  -3.960
+  713TIP3    H1 8448   2.104  -3.260  -3.994
+  713TIP3    H2 8449   2.161  -3.204  -3.864
+  714TIP3   OH2 8450   2.902  -3.294  -3.087
+  714TIP3    H1 8451   2.952  -3.239  -3.151
+  714TIP3    H2 8452   2.816  -3.304  -3.133
+  715TIP3   OH2 8453   2.595  -3.924  -4.197
+  715TIP3    H1 8454   2.498  -3.936  -4.186
+  715TIP3    H2 8455   2.618  -3.859  -4.128
+  716TIP3   OH2 8456   2.344  -3.208  -2.828
+  716TIP3    H1 8457   2.314  -3.241  -2.742
+  716TIP3    H2 8458   2.312  -3.116  -2.828
+  717TIP3   OH2 8459   2.657  -3.751  -3.991
+  717TIP3    H1 8460   2.742  -3.766  -3.944
+  717TIP3    H2 8461   2.670  -3.661  -4.028
+  718TIP3   OH2 8462   1.694  -3.270  -3.378
+  718TIP3    H1 8463   1.749  -3.282  -3.457
+  718TIP3    H2 8464   1.702  -3.356  -3.334
+  719TIP3   OH2 8465   2.424  -3.075  -4.070
+  719TIP3    H1 8466   2.396  -2.987  -4.038
+  719TIP3    H2 8467   2.347  -3.129  -4.042
+  720TIP3   OH2 8468   1.419  -3.444  -2.852
+  720TIP3    H1 8469   1.434  -3.487  -2.766
+  720TIP3    H2 8470   1.358  -3.505  -2.897
+  721TIP3   OH2 8471   2.116  -3.493  -2.653
+  721TIP3    H1 8472   2.080  -3.518  -2.740
+  721TIP3    H2 8473   2.209  -3.519  -2.664
+  722TIP3   OH2 8474   2.573  -2.938  -2.882
+  722TIP3    H1 8475   2.476  -2.939  -2.888
+  722TIP3    H2 8476   2.587  -2.922  -2.787
+  723TIP3   OH2 8477   3.128  -3.737  -4.001
+  723TIP3    H1 8478   3.062  -3.754  -4.071
+  723TIP3    H2 8479   3.140  -3.642  -4.016
+  724TIP3   OH2 8480   3.168  -3.142  -2.723
+  724TIP3    H1 8481   3.074  -3.119  -2.743
+  724TIP3    H2 8482   3.201  -3.158  -2.814
+  725TIP3   OH2 8483   2.939  -2.883  -3.994
+  725TIP3    H1 8484   2.928  -2.960  -3.937
+  725TIP3    H2 8485   2.985  -2.920  -4.071
+  726TIP3   OH2 8486   2.667  -3.350  -3.256
+  726TIP3    H1 8487   2.574  -3.366  -3.280
+  726TIP3    H2 8488   2.711  -3.422  -3.305
+  727TIP3   OH2 8489   1.931  -2.943  -3.657
+  727TIP3    H1 8490   1.972  -2.856  -3.665
+  727TIP3    H2 8491   1.838  -2.923  -3.673
+  728TIP3   OH2 8492   1.538  -3.451  -4.199
+  728TIP3    H1 8493   1.592  -3.385  -4.152
+  728TIP3    H2 8494   1.448  -3.431  -4.168
+  729TIP3   OH2 8495   2.113  -3.173  -3.693
+  729TIP3    H1 8496   2.083  -3.082  -3.676
+  729TIP3    H2 8497   2.044  -3.224  -3.648
+  730TIP3   OH2 8498   2.131  -2.747  -3.056
+  730TIP3    H1 8499   2.187  -2.672  -3.082
+  730TIP3    H2 8500   2.191  -2.796  -2.997
+  731TIP3   OH2 8501   1.975  -2.652  -3.735
+  731TIP3    H1 8502   1.879  -2.639  -3.724
+  731TIP3    H2 8503   2.009  -2.565  -3.708
+  732TIP3   OH2 8504   2.471  -3.171  -3.098
+  732TIP3    H1 8505   2.442  -3.200  -3.010
+  732TIP3    H2 8506   2.545  -3.232  -3.115
+  733TIP3   OH2 8507   2.684  -3.043  -4.200
+  733TIP3    H1 8508   2.739  -3.075  -4.126
+  733TIP3    H2 8509   2.597  -3.053  -4.158
+  734TIP3   OH2 8510   2.768  -2.710  -2.864
+  734TIP3    H1 8511   2.693  -2.762  -2.899
+  734TIP3    H2 8512   2.768  -2.633  -2.921
+  735TIP3   OH2 8513   3.174  -2.597  -4.161
+  735TIP3    H1 8514   3.248  -2.535  -4.140
+  735TIP3    H2 8515   3.097  -2.542  -4.137
+  736TIP3   OH2 8516   1.552  -3.961  -2.893
+  736TIP3    H1 8517   1.461  -3.943  -2.924
+  736TIP3    H2 8518   1.536  -4.047  -2.849
+  737TIP3   OH2 8519   2.785  -3.186  -3.970
+  737TIP3    H1 8520   2.760  -3.254  -3.905
+  737TIP3    H2 8521   2.882  -3.184  -3.961
+  738TIP3   OH2 8522   1.528  -2.804  -3.053
+  738TIP3    H1 8523   1.557  -2.894  -3.030
+  738TIP3    H2 8524   1.544  -2.759  -2.969
+  739TIP3   OH2 8525   2.135  -2.940  -4.328
+  739TIP3    H1 8526   2.174  -3.025  -4.354
+  739TIP3    H2 8527   2.082  -2.967  -4.250
+  740TIP3   OH2 8528   1.993  -2.984  -4.076
+  740TIP3    H1 8529   2.043  -3.037  -4.012
+  740TIP3    H2 8530   2.013  -2.893  -4.049
+  741TIP3   OH2 8531   1.679  -3.248  -4.037
+  741TIP3    H1 8532   1.603  -3.207  -3.989
+  741TIP3    H2 8533   1.725  -3.168  -4.067
+  742TIP3   OH2 8534   2.443  -4.009  -3.027
+  742TIP3    H1 8535   2.504  -3.981  -2.958
+  742TIP3    H2 8536   2.405  -4.091  -2.993
+  743TIP3   OH2 8537   2.524  -4.050  -3.923
+  743TIP3    H1 8538   2.538  -3.984  -3.992
+  743TIP3    H2 8539   2.557  -4.003  -3.845
+  744TIP3   OH2 8540   2.287  -2.827  -4.029
+  744TIP3    H1 8541   2.210  -2.774  -4.001
+  744TIP3    H2 8542   2.340  -2.760  -4.074
+  745TIP3   OH2 8543   2.254  -3.850  -3.812
+  745TIP3    H1 8544   2.329  -3.789  -3.797
+  745TIP3    H2 8545   2.223  -3.866  -3.721
+  746TIP3   OH2 8546   2.288  -3.761  -2.901
+  746TIP3    H1 8547   2.295  -3.709  -2.818
+  746TIP3    H2 8548   2.345  -3.837  -2.881
+  747TIP3   OH2 8549   2.330  -4.171  -3.712
+  747TIP3    H1 8550   2.295  -4.096  -3.661
+  747TIP3    H2 8551   2.381  -4.126  -3.781
+  748TIP3   OH2 8552   2.007  -2.707  -4.025
+  748TIP3    H1 8553   2.012  -2.621  -4.072
+  748TIP3    H2 8554   1.994  -2.679  -3.932
+  749TIP3   OH2 8555   1.882  -4.043  -4.076
+  749TIP3    H1 8556   1.875  -3.968  -4.016
+  749TIP3    H2 8557   1.965  -4.083  -4.044
+  750TIP3   OH2 8558   2.926  -3.964  -2.818
+  750TIP3    H1 8559   2.829  -3.952  -2.827
+  750TIP3    H2 8560   2.946  -3.988  -2.909
+  751TIP3   OH2 8561   2.767  -3.574  -3.409
+  751TIP3    H1 8562   2.685  -3.620  -3.435
+  751TIP3    H2 8563   2.816  -3.645  -3.362
+  752TIP3   OH2 8564   1.719  -2.950  -4.157
+  752TIP3    H1 8565   1.802  -2.922  -4.113
+  752TIP3    H2 8566   1.756  -3.002  -4.230
+  753TIP3   OH2 8567   1.547  -3.734  -4.257
+  753TIP3    H1 8568   1.558  -3.638  -4.239
+  753TIP3    H2 8569   1.455  -3.736  -4.289
+  754TIP3   OH2 8570   2.864  -2.678  -3.252
+  754TIP3    H1 8571   2.850  -2.603  -3.312
+  754TIP3    H2 8572   2.960  -2.673  -3.239
+  755TIP3   OH2 8573   1.551  -4.241  -3.353
+  755TIP3    H1 8574   1.591  -4.245  -3.440
+  755TIP3    H2 8575   1.568  -4.332  -3.323
+  756TIP3   OH2 8576   1.519  -2.886  -3.747
+  756TIP3    H1 8577   1.440  -2.836  -3.724
+  756TIP3    H2 8578   1.556  -2.835  -3.820
+  757TIP3   OH2 8579   1.458  -2.596  -2.625
+  757TIP3    H1 8580   1.515  -2.624  -2.551
+  757TIP3    H2 8581   1.419  -2.681  -2.653
+  758TIP3   OH2 8582   1.928  -2.692  -2.451
+  758TIP3    H1 8583   1.998  -2.755  -2.428
+  758TIP3    H2 8584   1.906  -2.719  -2.542
+  759TIP3   OH2 8585   2.353  -2.756  -4.330
+  759TIP3    H1 8586   2.273  -2.812  -4.325
+  759TIP3    H2 8587   2.419  -2.822  -4.356
+  760TIP3   OH2 8588   2.581  -2.867  -2.595
+  760TIP3    H1 8589   2.538  -2.945  -2.555
+  760TIP3    H2 8590   2.646  -2.843  -2.527
+  761TIP3   OH2 8591   2.707  -2.817   4.312
+  761TIP3    H1 8592   2.706  -2.891   4.374
+  761TIP3    H2 8593   2.796  -2.821   4.276
+  762TIP3   OH2 8594   1.456  -3.235  -2.517
+  762TIP3    H1 8595   1.464  -3.326  -2.550
+  762TIP3    H2 8596   1.378  -3.204  -2.567
+  763TIP3   OH2 8597   1.881  -3.180  -4.308
+  763TIP3    H1 8598   1.898  -3.245  -4.239
+  763TIP3    H2 8599   1.954  -3.194  -4.370
+  764TIP3   OH2 8600   2.121  -3.216  -2.583
+  764TIP3    H1 8601   2.087  -3.183  -2.668
+  764TIP3    H2 8602   2.125  -3.312  -2.598
+  765TIP3   OH2 8603   2.410  -3.077  -4.347
+  765TIP3    H1 8604   2.425  -3.062  -4.252
+  765TIP3    H2 8605   2.476  -3.144  -4.368
+  766TIP3   OH2 8606   2.656  -3.254  -2.844
+  766TIP3    H1 8607   2.733  -3.199  -2.863
+  766TIP3    H2 8608   2.585  -3.188  -2.843
+  767TIP3   OH2 8609   1.542  -3.522  -2.600
+  767TIP3    H1 8610   1.615  -3.586  -2.597
+  767TIP3    H2 8611   1.536  -3.499  -2.506
+  768TIP3   OH2 8612   1.984  -3.384  -4.091
+  768TIP3    H1 8613   1.922  -3.428  -4.030
+  768TIP3    H2 8614   2.018  -3.459  -4.143
+  769TIP3   OH2 8615   1.908  -3.609  -2.855
+  769TIP3    H1 8616   1.853  -3.531  -2.836
+  769TIP3    H2 8617   1.972  -3.572  -2.919
+  770TIP3   OH2 8618   2.103  -3.575  -4.273
+  770TIP3    H1 8619   2.106  -3.598  -4.367
+  770TIP3    H2 8620   2.199  -3.577  -4.251
+  771TIP3   OH2 8621   2.437  -3.338  -2.502
+  771TIP3    H1 8622   2.528  -3.356  -2.530
+  771TIP3    H2 8623   2.413  -3.421  -2.459
+  772TIP3   OH2 8624   1.967  -3.878  -2.746
+  772TIP3    H1 8625   1.974  -3.944  -2.817
+  772TIP3    H2 8626   1.945  -3.797  -2.795
+  773TIP3   OH2 8627   2.005  -4.038  -3.003
+  773TIP3    H1 8628   2.056  -3.982  -3.064
+  773TIP3    H2 8629   1.913  -4.027  -3.037
+  774TIP3   OH2 8630   2.155  -3.488  -2.957
+  774TIP3    H1 8631   2.239  -3.495  -3.005
+  774TIP3    H2 8632   2.123  -3.400  -2.987
+  775TIP3   OH2 8633   2.611  -3.693  -2.480
+  775TIP3    H1 8634   2.633  -3.786  -2.463
+  775TIP3    H2 8635   2.699  -3.652  -2.483
+  776TIP3   OH2 8636   2.711  -3.416  -2.631
+  776TIP3    H1 8637   2.675  -3.354  -2.698
+  776TIP3    H2 8638   2.801  -3.428  -2.667
+  777TIP3   OH2 8639   1.789  -3.697  -2.561
+  777TIP3    H1 8640   1.736  -3.777  -2.561
+  777TIP3    H2 8641   1.869  -3.726  -2.608
+  778TIP3   OH2 8642   2.053  -4.278  -2.881
+  778TIP3    H1 8643   2.063  -4.187  -2.916
+  778TIP3    H2 8644   1.960  -4.293  -2.903
+  779TIP3   OH2 8645   2.201  -3.845  -2.586
+  779TIP3    H1 8646   2.168  -3.871  -2.498
+  779TIP3    H2 8647   2.120  -3.863  -2.638
+  780TIP3   OH2 8648   2.458  -3.945  -2.688
+  780TIP3    H1 8649   2.369  -3.929  -2.652
+  780TIP3    H2 8650   2.493  -4.009  -2.623
+  781TIP3   OH2 8651   2.642  -4.139  -2.513
+  781TIP3    H1 8652   2.610  -4.224  -2.480
+  781TIP3    H2 8653   2.616  -4.077  -2.442
+  782TIP3   OH2 8654   1.668  -3.961  -2.575
+  782TIP3    H1 8655   1.640  -4.020  -2.646
+  782TIP3    H2 8656   1.621  -3.997  -2.498
+  783TIP3   OH2 8657   2.163  -4.146  -2.475
+  783TIP3    H1 8658   2.139  -4.228  -2.522
+  783TIP3    H2 8659   2.078  -4.099  -2.469
+  784TIP3   OH2 8660   2.063  -2.458  -4.171
+  784TIP3    H1 8661   2.159  -2.448  -4.163
+  784TIP3    H2 8662   2.040  -2.398  -4.243
+  785TIP3   OH2 8663   1.449  -3.052  -4.194
+  785TIP3    H1 8664   1.539  -3.016  -4.199
+  785TIP3    H2 8665   1.441  -3.105  -4.275
+  786TIP3   OH2 8666   1.351  -2.501  -3.720
+  786TIP3    H1 8667   1.279  -2.537  -3.776
+  786TIP3    H2 8668   1.356  -2.569  -3.650
+  787TIP3   OH2 8669   1.388  -2.698  -3.520
+  787TIP3    H1 8670   1.358  -2.785  -3.489
+  787TIP3    H2 8671   1.420  -2.662  -3.436
+  788TIP3   OH2 8672   3.138  -2.550  -3.204
+  788TIP3    H1 8673   3.172  -2.581  -3.119
+  788TIP3    H2 8674   3.218  -2.548  -3.258
+  789TIP3   OH2 8675   3.128  -2.618  -2.920
+  789TIP3    H1 8676   3.079  -2.692  -2.962
+  789TIP3    H2 8677   3.186  -2.671  -2.862
+  790TIP3   OH2 8678   2.931  -3.085  -2.502
+  790TIP3    H1 8679   2.842  -3.076  -2.462
+  790TIP3    H2 8680   2.976  -3.005  -2.471
+  791TIP3   OH2 8681   3.070  -3.202  -3.931
+  791TIP3    H1 8682   3.158  -3.160  -3.919
+  791TIP3    H2 8683   3.071  -3.263  -3.855
+  792TIP3   OH2 8684   3.116  -3.403  -3.734
+  792TIP3    H1 8685   3.051  -3.457  -3.686
+  792TIP3    H2 8686   3.185  -3.386  -3.666
+  793TIP3   OH2 8687   3.087  -3.149  -3.235
+  793TIP3    H1 8688   3.151  -3.197  -3.291
+  793TIP3    H2 8689   3.108  -3.057  -3.260
+  794TIP3   OH2 8690   2.963  -2.857  -3.009
+  794TIP3    H1 8691   2.889  -2.818  -2.960
+  794TIP3    H2 8692   2.920  -2.895  -3.087
+  795TIP3   OH2 8693   3.142  -3.436  -4.108
+  795TIP3    H1 8694   3.084  -3.399  -4.176
+  795TIP3    H2 8695   3.128  -3.370  -4.037
+  796TIP3   OH2 8696   2.963  -3.697  -4.220
+  796TIP3    H1 8697   2.999  -3.621  -4.268
+  796TIP3    H2 8698   3.011  -3.770  -4.260
+  797TIP3   OH2 8699   2.909  -3.586  -3.650
+  797TIP3    H1 8700   2.900  -3.681  -3.665
+  797TIP3    H2 8701   2.872  -3.576  -3.560
+  798TIP3   OH2 8702   1.395  -3.364  -3.280
+  798TIP3    H1 8703   1.420  -3.359  -3.374
+  798TIP3    H2 8704   1.481  -3.386  -3.239
+  799TIP3   OH2 8705   2.971  -3.393  -2.734
+  799TIP3    H1 8706   3.046  -3.454  -2.719
+  799TIP3    H2 8707   3.016  -3.310  -2.755
+  800TIP3   OH2 8708   3.126  -3.584  -2.613
+  800TIP3    H1 8709   3.047  -3.636  -2.637
+  800TIP3    H2 8710   3.196  -3.652  -2.616
+  801TIP3   OH2 8711   2.891  -4.023  -4.341
+  801TIP3    H1 8712   2.950  -4.044  -4.267
+  801TIP3    H2 8713   2.803  -4.044  -4.306
+  802TIP3   OH2 8714   2.886  -3.827  -3.837
+  802TIP3    H1 8715   2.908  -3.922  -3.828
+  802TIP3    H2 8716   2.971  -3.792  -3.870
+  803TIP3   OH2 8717   2.920  -3.774  -3.292
+  803TIP3    H1 8718   3.017  -3.767  -3.294
+  803TIP3    H2 8719   2.905  -3.775  -3.196
+  804TIP3   OH2 8720   2.934  -3.706  -3.006
+  804TIP3    H1 8721   2.850  -3.664  -2.980
+  804TIP3    H2 8722   2.989  -3.629  -3.028
+  805TIP3   OH2 8723   1.381  -3.835  -2.626
+  805TIP3    H1 8724   1.472  -3.859  -2.645
+  805TIP3    H2 8725   1.336  -3.921  -2.630
+  806TIP3   OH2 8726   3.142  -4.281  -2.433
+  806TIP3    H1 8727   3.214  -4.345  -2.447
+  806TIP3    H2 8728   3.151  -4.217  -2.507
+  807TIP3   OH2 8729   2.924  -4.097  -3.823
+  807TIP3    H1 8730   2.948  -4.146  -3.743
+  807TIP3    H2 8731   2.862  -4.159  -3.865
+  808TIP3   OH2 8732   1.456  -3.989  -3.362
+  808TIP3    H1 8733   1.486  -4.082  -3.350
+  808TIP3    H2 8734   1.530  -3.940  -3.322
+  809TIP3   OH2 8735   1.317  -3.729  -3.256
+  809TIP3    H1 8736   1.375  -3.733  -3.334
+  809TIP3    H2 8737   1.354  -3.653  -3.209
+  810TIP3   OH2 8738   3.129  -4.111  -2.644
+  810TIP3    H1 8739   3.044  -4.063  -2.638
+  810TIP3    H2 8740   3.121  -4.147  -2.735
+  811TIP3   OH2 8741   3.141  -4.072  -4.176
+  811TIP3    H1 8742   3.170  -4.146  -4.231
+  811TIP3    H2 8743   3.222  -4.019  -4.169
+  812TIP3   OH2 8744   1.372  -4.098  -3.851
+  812TIP3    H1 8745   1.276  -4.098  -3.871
+  812TIP3    H2 8746   1.408  -4.032  -3.913
+  813TIP3   OH2 8747   2.829  -2.570  -3.640
+  813TIP3    H1 8748   2.877  -2.596  -3.720
+  813TIP3    H2 8749   2.901  -2.532  -3.588
+  814TIP3   OH2 8750   1.349  -4.126  -3.000
+  814TIP3    H1 8751   1.349  -4.220  -2.973
+  814TIP3    H2 8752   1.325  -4.134  -3.093
+  815TIP3   OH2 8753   1.570  -2.897  -2.568
+  815TIP3    H1 8754   1.496  -2.896  -2.630
+  815TIP3    H2 8755   1.526  -2.900  -2.482
+  816TIP3   OH2 8756   1.854  -2.800  -3.001
+  816TIP3    H1 8757   1.822  -2.714  -3.033
+  816TIP3    H2 8758   1.950  -2.789  -3.018
+  817TIP3   OH2 8759   2.306  -2.670  -2.699
+  817TIP3    H1 8760   2.316  -2.685  -2.603
+  817TIP3    H2 8761   2.389  -2.623  -2.720
+  818TIP3   OH2 8762   2.537  -2.516  -2.776
+  818TIP3    H1 8763   2.601  -2.587  -2.796
+  818TIP3    H2 8764   2.563  -2.492  -2.685
+  819TIP3   OH2 8765   2.993  -4.277  -2.854
+  819TIP3    H1 8766   2.943  -4.214  -2.908
+  819TIP3    H2 8767   3.010  -4.345  -2.921
+  820TIP3   OH2 8768   1.590  -2.506  -2.968
+  820TIP3    H1 8769   1.531  -2.443  -3.012
+  820TIP3    H2 8770   1.566  -2.490  -2.876
+  821TIP3   OH2 8771   1.841  -2.524  -3.111
+  821TIP3    H1 8772   1.756  -2.509  -3.066
+  821TIP3    H2 8773   1.840  -2.454  -3.178
+  822TIP3   OH2 8774   2.318  -2.526  -3.155
+  822TIP3    H1 8775   2.278  -2.481  -3.232
+  822TIP3    H2 8776   2.323  -2.453  -3.091
+  823TIP3   OH2 8777   2.557  -2.644  -3.065
+  823TIP3    H1 8778   2.468  -2.620  -3.097
+  823TIP3    H2 8779   2.603  -2.559  -3.071
+  824TIP3   OH2 8780   2.805  -2.434  -3.059
+  824TIP3    H1 8781   2.781  -2.366  -3.123
+  824TIP3    H2 8782   2.831  -2.504  -3.122
+  825TIP3   OH2 8783   1.552  -2.622  -3.273
+  825TIP3    H1 8784   1.546  -2.669  -3.188
+  825TIP3    H2 8785   1.627  -2.668  -3.315
+  826TIP3   OH2 8786   1.753  -2.749  -3.431
+  826TIP3    H1 8787   1.735  -2.841  -3.401
+  826TIP3    H2 8788   1.843  -2.734  -3.395
+  827TIP3   OH2 8789   2.029  -2.700  -3.339
+  827TIP3    H1 8790   2.046  -2.794  -3.361
+  827TIP3    H2 8791   2.034  -2.704  -3.243
+  828TIP3   OH2 8792   2.357  -4.112  -3.411
+  828TIP3    H1 8793   2.295  -4.182  -3.382
+  828TIP3    H2 8794   2.417  -4.162  -3.469
+  829TIP3   OH2 8795   2.886  -4.329  -3.364
+  829TIP3    H1 8796   2.945  -4.288  -3.430
+  829TIP3    H2 8797   2.798  -4.306  -3.396
+  830TIP3   OH2 8798   3.081  -4.225  -3.583
+  830TIP3    H1 8799   3.134  -4.246  -3.660
+  830TIP3    H2 8800   3.100  -4.130  -3.569
+  831TIP3   OH2 8801   1.594  -4.284  -3.682
+  831TIP3    H1 8802   1.500  -4.300  -3.697
+  831TIP3    H2 8803   1.624  -4.366  -3.641
+  832TIP3   OH2 8804   1.456  -4.282  -4.068
+  832TIP3    H1 8805   1.505  -4.228  -4.133
+  832TIP3    H2 8806   1.416  -4.214  -4.012
+  833TIP3   OH2 8807   2.043  -4.231  -3.658
+  833TIP3    H1 8808   2.139  -4.234  -3.669
+  833TIP3    H2 8809   2.027  -4.290  -3.583
+  834TIP3   OH2 8810   2.598  -4.265  -3.515
+  834TIP3    H1 8811   2.630  -4.263  -3.606
+  834TIP3    H2 8812   2.583  -4.359  -3.499
+  835TIP3   OH2 8813   2.705  -4.271  -3.917
+  835TIP3    H1 8814   2.631  -4.214  -3.943
+  835TIP3    H2 8815   2.667  -4.359  -3.919
+  836TIP3   OH2 8816   1.483  -2.695  -3.966
+  836TIP3    H1 8817   1.411  -2.698  -4.032
+  836TIP3    H2 8818   1.482  -2.602  -3.942
+  837TIP3   OH2 8819   1.642  -4.121  -4.226
+  837TIP3    H1 8820   1.705  -4.164  -4.285
+  837TIP3    H2 8821   1.702  -4.062  -4.176
+  838TIP3   OH2 8822   2.166  -4.057  -3.986
+  838TIP3    H1 8823   2.176  -4.142  -3.939
+  838TIP3    H2 8824   2.185  -3.991  -3.917
+  839TIP3   OH2 8825   2.349  -2.529  -4.147
+  839TIP3    H1 8826   2.447  -2.517  -4.139
+  839TIP3    H2 8827   2.347  -2.591  -4.222
+  840TIP3   OH2 8828   3.022  -2.615  -3.880
+  840TIP3    H1 8829   2.994  -2.697  -3.926
+  840TIP3    H2 8830   3.000  -2.546  -3.945
+  841TIP3   OH2 8831   1.556  -4.178  -2.731
+  841TIP3    H1 8832   1.509  -4.257  -2.701
+  841TIP3    H2 8833   1.644  -4.216  -2.743
+  842TIP3   OH2 8834   1.849  -4.279  -2.468
+  842TIP3    H1 8835   1.936  -4.306  -2.506
+  842TIP3    H2 8836   1.824  -4.357  -2.417
+  843TIP3   OH2 8837   1.685  -2.587  -4.232
+  843TIP3    H1 8838   1.639  -2.565  -4.150
+  843TIP3    H2 8839   1.745  -2.657  -4.206
+  844TIP3   OH2 8840   2.963  -2.735  -2.643
+  844TIP3    H1 8841   2.889  -2.757  -2.703
+  844TIP3    H2 8842   2.939  -2.644  -2.617
+  845TIP3   OH2 8843   4.215  -3.463  -3.312
+  845TIP3    H1 8844   4.292  -3.430  -3.262
+  845TIP3    H2 8845   4.246  -3.459  -3.403
+  846TIP3   OH2 8846   3.516  -3.466  -3.153
+  846TIP3    H1 8847   3.516  -3.538  -3.088
+  846TIP3    H2 8848   3.586  -3.409  -3.118
+  847TIP3   OH2 8849   3.577  -2.999  -3.286
+  847TIP3    H1 8850   3.554  -3.082  -3.331
+  847TIP3    H2 8851   3.673  -3.001  -3.290
+  848TIP3   OH2 8852   3.282  -3.664  -3.764
+  848TIP3    H1 8853   3.247  -3.575  -3.748
+  848TIP3    H2 8854   3.206  -3.707  -3.806
+  849TIP3   OH2 8855   3.358  -3.418  -3.583
+  849TIP3    H1 8856   3.378  -3.496  -3.528
+  849TIP3    H2 8857   3.445  -3.396  -3.620
+  850TIP3   OH2 8858   4.120  -3.172  -3.253
+  850TIP3    H1 8859   4.146  -3.245  -3.311
+  850TIP3    H2 8860   4.204  -3.150  -3.210
+  851TIP3   OH2 8861   3.742  -3.942  -3.503
+  851TIP3    H1 8862   3.759  -3.855  -3.546
+  851TIP3    H2 8863   3.706  -3.991  -3.579
+  852TIP3   OH2 8864   3.411  -3.664  -3.454
+  852TIP3    H1 8865   3.474  -3.711  -3.396
+  852TIP3    H2 8866   3.421  -3.713  -3.537
+  853TIP3   OH2 8867   3.953  -3.528  -3.507
+  853TIP3    H1 8868   4.027  -3.581  -3.472
+  853TIP3    H2 8869   3.902  -3.598  -3.553
+  854TIP3   OH2 8870   3.621  -4.058  -3.088
+  854TIP3    H1 8871   3.590  -4.000  -3.159
+  854TIP3    H2 8872   3.555  -4.036  -3.018
+  855TIP3   OH2 8873   3.915  -3.275  -3.074
+  855TIP3    H1 8874   3.842  -3.214  -3.049
+  855TIP3    H2 8875   3.980  -3.214  -3.114
+  856TIP3   OH2 8876   3.584  -3.857  -3.293
+  856TIP3    H1 8877   3.646  -3.795  -3.249
+  856TIP3    H2 8878   3.641  -3.890  -3.366
+  857TIP3   OH2 8879   3.716  -3.084  -3.000
+  857TIP3    H1 8880   3.711  -2.997  -3.043
+  857TIP3    H2 8881   3.627  -3.087  -2.960
+  858TIP3   OH2 8882   3.341  -3.101  -3.917
+  858TIP3    H1 8883   3.327  -3.050  -3.998
+  858TIP3    H2 8884   3.372  -3.032  -3.853
+  859TIP3   OH2 8885   4.047   4.380  -3.363
+  859TIP3    H1 8886   4.040   4.285  -3.348
+  859TIP3    H2 8887   3.961   4.416  -3.332
+  860TIP3   OH2 8888   4.268  -3.431  -3.919
+  860TIP3    H1 8889   4.199  -3.361  -3.923
+  860TIP3    H2 8890   4.334  -3.392  -3.977
+  861TIP3   OH2 8891   4.287  -3.575  -4.213
+  861TIP3    H1 8892   4.353  -3.570  -4.142
+  861TIP3    H2 8893   4.300  -3.663  -4.247
+  862TIP3   OH2 8894   3.759  -3.341  -3.613
+  862TIP3    H1 8895   3.729  -3.381  -3.696
+  862TIP3    H2 8896   3.825  -3.405  -3.581
+  863TIP3   OH2 8897   3.898  -2.999  -3.339
+  863TIP3    H1 8898   3.885  -3.034  -3.428
+  863TIP3    H2 8899   3.977  -3.046  -3.308
+  864TIP3   OH2 8900   3.817  -3.459  -3.266
+  864TIP3    H1 8901   3.876  -3.457  -3.344
+  864TIP3    H2 8902   3.856  -3.390  -3.209
+  865TIP3   OH2 8903   3.903  -3.023  -2.784
+  865TIP3    H1 8904   3.852  -2.956  -2.736
+  865TIP3    H2 8905   3.839  -3.048  -2.855
+  866TIP3   OH2 8906   3.595  -3.389  -2.868
+  866TIP3    H1 8907   3.601  -3.327  -2.793
+  866TIP3    H2 8908   3.499  -3.397  -2.880
+  867TIP3   OH2 8909   4.257  -2.813  -3.701
+  867TIP3    H1 8910   4.300  -2.764  -3.629
+  867TIP3    H2 8911   4.201  -2.744  -3.741
+  868TIP3   OH2 8912   3.710  -2.804  -2.701
+  868TIP3    H1 8913   3.701  -2.802  -2.798
+  868TIP3    H2 8914   3.623  -2.835  -2.671
+  869TIP3   OH2 8915   3.654  -3.466  -3.867
+  869TIP3    H1 8916   3.628  -3.386  -3.916
+  869TIP3    H2 8917   3.580  -3.525  -3.886
+  870TIP3   OH2 8918   3.254  -3.196  -2.988
+  870TIP3    H1 8919   3.214  -3.194  -3.077
+  870TIP3    H2 8920   3.268  -3.292  -2.975
+  871TIP3   OH2 8921   3.259  -2.919  -3.281
+  871TIP3    H1 8922   3.353  -2.935  -3.302
+  871TIP3    H2 8923   3.265  -2.843  -3.223
+  872TIP3   OH2 8924   4.174  -2.922  -2.833
+  872TIP3    H1 8925   4.181  -2.833  -2.796
+  872TIP3    H2 8926   4.082  -2.948  -2.812
+  873TIP3   OH2 8927   4.189  -2.540  -3.845
+  873TIP3    H1 8928   4.204  -2.535  -3.941
+  873TIP3    H2 8929   4.207  -2.451  -3.813
+  874TIP3   OH2 8930   3.472  -3.039  -2.861
+  874TIP3    H1 8931   3.502  -3.090  -2.784
+  874TIP3    H2 8932   3.401  -3.094  -2.899
+  875TIP3   OH2 8933   3.798  -4.220  -3.274
+  875TIP3    H1 8934   3.716  -4.245  -3.318
+  875TIP3    H2 8935   3.772  -4.135  -3.234
+  876TIP3   OH2 8936   4.227  -4.309  -2.913
+  876TIP3    H1 8937   4.258  -4.314  -2.822
+  876TIP3    H2 8938   4.133  -4.283  -2.902
+  877TIP3   OH2 8939   4.221  -3.984  -4.205
+  877TIP3    H1 8940   4.156  -3.994  -4.133
+  877TIP3    H2 8941   4.191  -4.051  -4.266
+  878TIP3   OH2 8942   3.778  -3.715  -3.148
+  878TIP3    H1 8943   3.717  -3.701  -3.073
+  878TIP3    H2 8944   3.788  -3.624  -3.184
+  879TIP3   OH2 8945   3.775  -3.711  -3.658
+  879TIP3    H1 8946   3.679  -3.717  -3.675
+  879TIP3    H2 8947   3.809  -3.724  -3.748
+  880TIP3   OH2 8948   4.279  -3.673  -3.707
+  880TIP3    H1 8949   4.278  -3.578  -3.724
+  880TIP3    H2 8950   4.373  -3.694  -3.701
+  881TIP3   OH2 8951   4.250  -3.626  -2.628
+  881TIP3    H1 8952   4.193  -3.706  -2.617
+  881TIP3    H2 8953   4.337  -3.670  -2.625
+  882TIP3   OH2 8954   3.520  -3.698  -2.965
+  882TIP3    H1 8955   3.542  -3.667  -2.877
+  882TIP3    H2 8956   3.479  -3.784  -2.945
+  883TIP3   OH2 8957   3.889  -3.962  -4.318
+  883TIP3    H1 8958   3.861  -3.986  -4.228
+  883TIP3    H2 8959   3.816  -3.905  -4.346
+  884TIP3   OH2 8960   3.195  -3.959  -3.601
+  884TIP3    H1 8961   3.253  -3.955  -3.522
+  884TIP3    H2 8962   3.254  -3.993  -3.670
+  885TIP3   OH2 8963   3.352  -3.912  -4.039
+  885TIP3    H1 8964   3.412  -3.862  -4.099
+  885TIP3    H2 8965   3.288  -3.843  -4.015
+  886TIP3   OH2 8966   4.351  -3.573  -3.023
+  886TIP3    H1 8967   4.380  -3.639  -3.089
+  886TIP3    H2 8968   4.272  -3.615  -2.988
+  887TIP3   OH2 8969   4.048  -3.974  -3.560
+  887TIP3    H1 8970   3.956  -3.960  -3.533
+  887TIP3    H2 8971   4.095  -3.950  -3.478
+  888TIP3   OH2 8972   3.508  -3.829  -3.689
+  888TIP3    H1 8973   3.427  -3.799  -3.734
+  888TIP3    H2 8974   3.535  -3.908  -3.739
+  889TIP3   OH2 8975   3.867  -3.789  -3.924
+  889TIP3    H1 8976   3.964  -3.781  -3.918
+  889TIP3    H2 8977   3.844  -3.729  -3.997
+  890TIP3   OH2 8978   3.731  -3.677  -4.158
+  890TIP3    H1 8979   3.667  -3.722  -4.215
+  890TIP3    H2 8980   3.803  -3.655  -4.218
+  891TIP3   OH2 8981   3.582  -3.196  -2.647
+  891TIP3    H1 8982   3.650  -3.187  -2.577
+  891TIP3    H2 8983   3.502  -3.195  -2.591
+  892TIP3   OH2 8984   4.137  -3.741  -3.415
+  892TIP3    H1 8985   4.218  -3.764  -3.462
+  892TIP3    H2 8986   4.166  -3.744  -3.323
+  893TIP3   OH2 8987   3.668  -4.066  -3.756
+  893TIP3    H1 8988   3.622  -4.151  -3.744
+  893TIP3    H2 8989   3.753  -4.094  -3.792
+  894TIP3   OH2 8990   4.047  -3.861  -3.141
+  894TIP3    H1 8991   3.980  -3.793  -3.162
+  894TIP3    H2 8992   4.100  -3.815  -3.074
+  895TIP3   OH2 8993   4.072  -3.228  -3.954
+  895TIP3    H1 8994   3.992  -3.269  -3.991
+  895TIP3    H2 8995   4.049  -3.213  -3.860
+  896TIP3   OH2 8996   4.208  -3.224  -2.832
+  896TIP3    H1 8997   4.182  -3.233  -2.740
+  896TIP3    H2 8998   4.213  -3.128  -2.845
+  897TIP3   OH2 8999   3.575  -3.273  -3.378
+  897TIP3    H1 9000   3.632  -3.276  -3.457
+  897TIP3    H2 9001   3.593  -3.358  -3.336
+  898TIP3   OH2 9002   4.284  -3.081  -4.052
+  898TIP3    H1 9003   4.254  -2.990  -4.032
+  898TIP3    H2 9004   4.207  -3.133  -4.021
+  899TIP3   OH2 9005   3.304  -3.444  -2.852
+  899TIP3    H1 9006   3.320  -3.489  -2.766
+  899TIP3    H2 9007   3.244  -3.505  -2.898
+  900TIP3   OH2 9008   4.001  -3.494  -2.649
+  900TIP3    H1 9009   3.966  -3.523  -2.735
+  900TIP3    H2 9010   4.096  -3.517  -2.659
+  901TIP3   OH2 9011   3.820  -2.944  -3.650
+  901TIP3    H1 9012   3.848  -2.853  -3.670
+  901TIP3    H2 9013   3.723  -2.937  -3.664
+  902TIP3   OH2 9014   3.423  -3.450  -4.199
+  902TIP3    H1 9015   3.479  -3.384  -4.152
+  902TIP3    H2 9016   3.334  -3.429  -4.165
+  903TIP3   OH2 9017   3.995  -3.175  -3.694
+  903TIP3    H1 9018   3.970  -3.083  -3.676
+  903TIP3    H2 9019   3.924  -3.223  -3.648
+  904TIP3   OH2 9020   4.020  -2.744  -3.049
+  904TIP3    H1 9021   4.077  -2.673  -3.086
+  904TIP3    H2 9022   4.085  -2.795  -3.000
+  905TIP3   OH2 9023   3.831  -2.644  -3.740
+  905TIP3    H1 9024   3.740  -2.648  -3.711
+  905TIP3    H2 9025   3.862  -2.558  -3.707
+  906TIP3   OH2 9026   3.437  -3.962  -2.892
+  906TIP3    H1 9027   3.346  -3.942  -2.924
+  906TIP3    H2 9028   3.420  -4.048  -2.849
+  907TIP3   OH2 9029   3.407  -2.797  -3.046
+  907TIP3    H1 9030   3.437  -2.889  -3.045
+  907TIP3    H2 9031   3.442  -2.766  -2.962
+  908TIP3   OH2 9032   4.016  -2.941  -4.332
+  908TIP3    H1 9033   4.074  -3.017  -4.349
+  908TIP3    H2 9034   3.972  -2.968  -4.249
+  909TIP3   OH2 9035   3.886  -2.990  -4.078
+  909TIP3    H1 9036   3.925  -3.039  -4.004
+  909TIP3    H2 9037   3.896  -2.897  -4.048
+  910TIP3   OH2 9038   3.558  -3.245  -4.035
+  910TIP3    H1 9039   3.485  -3.204  -3.985
+  910TIP3    H2 9040   3.608  -3.166  -4.060
+  911TIP3   OH2 9041   4.329  -3.929  -2.977
+  911TIP3    H1 9042   4.392  -4.003  -2.988
+  911TIP3    H2 9043   4.270  -3.956  -3.049
+  912TIP3   OH2 9044   4.169  -2.822  -4.025
+  912TIP3    H1 9045   4.088  -2.773  -4.001
+  912TIP3    H2 9046   4.210  -2.761  -4.088
+  913TIP3   OH2 9047   4.132  -3.867  -3.815
+  913TIP3    H1 9048   4.196  -3.797  -3.788
+  913TIP3    H2 9049   4.097  -3.888  -3.726
+  914TIP3   OH2 9050   4.147  -3.763  -2.879
+  914TIP3    H1 9051   4.183  -3.701  -2.815
+  914TIP3    H2 9052   4.221  -3.826  -2.895
+  915TIP3   OH2 9053   4.198  -4.170  -3.689
+  915TIP3    H1 9054   4.171  -4.085  -3.650
+  915TIP3    H2 9055   4.271  -4.145  -3.749
+  916TIP3   OH2 9056   3.896  -2.710  -4.022
+  916TIP3    H1 9057   3.898  -2.623  -4.067
+  916TIP3    H2 9058   3.869  -2.684  -3.931
+  917TIP3   OH2 9059   3.767  -4.044  -4.073
+  917TIP3    H1 9060   3.762  -3.965  -4.016
+  917TIP3    H2 9061   3.853  -4.081  -4.045
+  918TIP3   OH2 9062   3.604  -2.950  -4.161
+  918TIP3    H1 9063   3.678  -2.916  -4.108
+  918TIP3    H2 9064   3.650  -3.003  -4.227
+  919TIP3   OH2 9065   3.431  -3.734  -4.255
+  919TIP3    H1 9066   3.445  -3.638  -4.239
+  919TIP3    H2 9067   3.340  -3.735  -4.288
+  920TIP3   OH2 9068   3.435  -4.244  -3.355
+  920TIP3    H1 9069   3.478  -4.246  -3.442
+  920TIP3    H2 9070   3.455  -4.334  -3.325
+  921TIP3   OH2 9071   3.342  -2.595  -2.625
+  921TIP3    H1 9072   3.403  -2.625  -2.554
+  921TIP3    H2 9073   3.305  -2.681  -2.655
+  922TIP3   OH2 9074   3.813  -2.691  -2.451
+  922TIP3    H1 9075   3.881  -2.756  -2.429
+  922TIP3    H2 9076   3.790  -2.719  -2.541
+  923TIP3   OH2 9077   4.232  -2.757  -4.318
+  923TIP3    H1 9078   4.152  -2.813  -4.325
+  923TIP3    H2 9079   4.297  -2.815  -4.358
+  924TIP3   OH2 9080   3.341  -3.236  -2.516
+  924TIP3    H1 9081   3.350  -3.326  -2.553
+  924TIP3    H2 9082   3.264  -3.204  -2.568
+  925TIP3   OH2 9083   3.764  -3.201  -4.317
+  925TIP3    H1 9084   3.792  -3.242  -4.234
+  925TIP3    H2 9085   3.848  -3.190  -4.366
+  926TIP3   OH2 9086   4.008  -3.214  -2.584
+  926TIP3    H1 9087   3.978  -3.181  -2.671
+  926TIP3    H2 9088   4.014  -3.311  -2.599
+  927TIP3   OH2 9089   4.272  -3.081  -4.352
+  927TIP3    H1 9090   4.322  -3.044  -4.276
+  927TIP3    H2 9091   4.333  -3.149  -4.383
+  928TIP3   OH2 9092   3.427  -3.525  -2.599
+  928TIP3    H1 9093   3.503  -3.585  -2.598
+  928TIP3    H2 9094   3.422  -3.499  -2.506
+  929TIP3   OH2 9095   3.865  -3.384  -4.095
+  929TIP3    H1 9096   3.806  -3.427  -4.031
+  929TIP3    H2 9097   3.901  -3.460  -4.143
+  930TIP3   OH2 9098   3.796  -3.604  -2.852
+  930TIP3    H1 9099   3.738  -3.527  -2.838
+  930TIP3    H2 9100   3.852  -3.573  -2.925
+  931TIP3   OH2 9101   3.999  -3.592  -4.269
+  931TIP3    H1 9102   3.981  -3.582  -4.363
+  931TIP3    H2 9103   4.090  -3.561  -4.259
+  932TIP3   OH2 9104   4.283  -3.359  -2.484
+  932TIP3    H1 9105   4.352  -3.389  -2.543
+  932TIP3    H2 9106   4.267  -3.441  -2.434
+  933TIP3   OH2 9107   3.852  -3.879  -2.742
+  933TIP3    H1 9108   3.864  -3.942  -2.815
+  933TIP3    H2 9109   3.839  -3.795  -2.791
+  934TIP3   OH2 9110   3.890  -4.041  -3.003
+  934TIP3    H1 9111   3.943  -3.981  -3.060
+  934TIP3    H2 9112   3.800  -4.026  -3.036
+  935TIP3   OH2 9113   4.068  -3.493  -2.967
+  935TIP3    H1 9114   4.136  -3.491  -3.036
+  935TIP3    H2 9115   4.028  -3.405  -2.978
+  936TIP3   OH2 9116   3.675  -3.698  -2.558
+  936TIP3    H1 9117   3.622  -3.780  -2.563
+  936TIP3    H2 9118   3.754  -3.723  -2.609
+  937TIP3   OH2 9119   3.948  -4.280  -2.886
+  937TIP3    H1 9120   3.943  -4.187  -2.920
+  937TIP3    H2 9121   3.864  -4.314  -2.920
+  938TIP3   OH2 9122   4.106  -3.856  -2.588
+  938TIP3    H1 9123   4.070  -3.887  -2.503
+  938TIP3    H2 9124   4.030  -3.875  -2.647
+  939TIP3   OH2 9125   3.552  -3.959  -2.575
+  939TIP3    H1 9126   3.526  -4.019  -2.647
+  939TIP3    H2 9127   3.506  -3.997  -2.499
+  940TIP3   OH2 9128   4.054  -4.147  -2.471
+  940TIP3    H1 9129   4.027  -4.228  -2.517
+  940TIP3    H2 9130   3.971  -4.095  -2.468
+  941TIP3   OH2 9131   3.960  -2.462  -4.172
+  941TIP3    H1 9132   4.055  -2.445  -4.163
+  941TIP3    H2 9133   3.933  -2.399  -4.241
+  942TIP3   OH2 9134   3.332  -3.053  -4.201
+  942TIP3    H1 9135   3.421  -3.013  -4.193
+  942TIP3    H2 9136   3.340  -3.106  -4.281
+  943TIP3   OH2 9137   3.236  -2.498  -3.720
+  943TIP3    H1 9138   3.165  -2.535  -3.776
+  943TIP3    H2 9139   3.242  -2.567  -3.651
+  944TIP3   OH2 9140   3.239  -2.676  -3.505
+  944TIP3    H1 9141   3.254  -2.770  -3.527
+  944TIP3    H2 9142   3.303  -2.665  -3.433
+  945TIP3   OH2 9143   3.280  -3.368  -3.280
+  945TIP3    H1 9144   3.304  -3.355  -3.373
+  945TIP3    H2 9145   3.368  -3.385  -3.241
+  946TIP3   OH2 9146   3.267  -3.836  -2.625
+  946TIP3    H1 9147   3.358  -3.858  -2.646
+  946TIP3    H2 9148   3.223  -3.922  -2.632
+  947TIP3   OH2 9149   3.342  -3.991  -3.361
+  947TIP3    H1 9150   3.373  -4.083  -3.350
+  947TIP3    H2 9151   3.416  -3.941  -3.323
+  948TIP3   OH2 9152   3.203  -3.728  -3.257
+  948TIP3    H1 9153   3.262  -3.731  -3.334
+  948TIP3    H2 9154   3.239  -3.653  -3.209
+  949TIP3   OH2 9155   3.257  -4.103  -3.854
+  949TIP3    H1 9156   3.162  -4.095  -3.871
+  949TIP3    H2 9157   3.295  -4.033  -3.912
+  950TIP3   OH2 9158   3.232  -4.127  -2.998
+  950TIP3    H1 9159   3.235  -4.221  -2.973
+  950TIP3    H2 9160   3.212  -4.133  -3.092
+  951TIP3   OH2 9161   3.456  -2.895  -2.566
+  951TIP3    H1 9162   3.384  -2.900  -2.631
+  951TIP3    H2 9163   3.409  -2.901  -2.482
+  952TIP3   OH2 9164   3.740  -2.795  -2.996
+  952TIP3    H1 9165   3.710  -2.712  -3.037
+  952TIP3    H2 9166   3.836  -2.789  -3.015
+  953TIP3   OH2 9167   4.220  -2.635  -2.710
+  953TIP3    H1 9168   4.205  -2.671  -2.621
+  953TIP3    H2 9169   4.314  -2.613  -2.704
+  954TIP3   OH2 9170   3.478  -2.501  -2.965
+  954TIP3    H1 9171   3.422  -2.438  -3.013
+  954TIP3    H2 9172   3.441  -2.498  -2.876
+  955TIP3   OH2 9173   3.732  -2.523  -3.106
+  955TIP3    H1 9174   3.645  -2.506  -3.066
+  955TIP3    H2 9175   3.735  -2.458  -3.178
+  956TIP3   OH2 9176   4.197  -2.548  -3.154
+  956TIP3    H1 9177   4.178  -2.500  -3.236
+  956TIP3    H2 9178   4.258  -2.489  -3.109
+  957TIP3   OH2 9179   3.430  -2.624  -3.270
+  957TIP3    H1 9180   3.436  -2.676  -3.187
+  957TIP3    H2 9181   3.507  -2.661  -3.318
+  958TIP3   OH2 9182   3.640  -2.718  -3.409
+  958TIP3    H1 9183   3.616  -2.804  -3.450
+  958TIP3    H2 9184   3.736  -2.726  -3.396
+  959TIP3   OH2 9185   3.921  -2.698  -3.340
+  959TIP3    H1 9186   3.935  -2.792  -3.362
+  959TIP3    H2 9187   3.920  -2.702  -3.243
+  960TIP3   OH2 9188   4.259  -4.143  -3.401
+  960TIP3    H1 9189   4.179  -4.198  -3.389
+  960TIP3    H2 9190   4.292  -4.176  -3.485
+  961TIP3   OH2 9191   3.479  -4.284  -3.678
+  961TIP3    H1 9192   3.386  -4.298  -3.701
+  961TIP3    H2 9193   3.505  -4.369  -3.643
+  962TIP3   OH2 9194   3.340  -4.282  -4.068
+  962TIP3    H1 9195   3.391  -4.230  -4.134
+  962TIP3    H2 9196   3.305  -4.212  -4.011
+  963TIP3   OH2 9197   3.934  -4.257  -3.675
+  963TIP3    H1 9198   4.026  -4.223  -3.668
+  963TIP3    H2 9199   3.918  -4.289  -3.586
+  964TIP3   OH2 9200   3.379  -2.690  -3.997
+  964TIP3    H1 9201   3.289  -2.695  -4.032
+  964TIP3    H2 9202   3.367  -2.635  -3.919
+  965TIP3   OH2 9203   3.528  -4.125  -4.224
+  965TIP3    H1 9204   3.592  -4.163  -4.286
+  965TIP3    H2 9205   3.586  -4.062  -4.177
+  966TIP3   OH2 9206   4.051  -4.065  -3.985
+  966TIP3    H1 9207   4.065  -4.147  -3.934
+  966TIP3    H2 9208   4.065  -3.995  -3.918
+  967TIP3   OH2 9209   4.270  -2.544  -4.143
+  967TIP3    H1 9210   4.355  -2.504  -4.167
+  967TIP3    H2 9211   4.252  -2.600  -4.222
+  968TIP3   OH2 9212   3.440  -4.178  -2.729
+  968TIP3    H1 9213   3.396  -4.260  -2.701
+  968TIP3    H2 9214   3.529  -4.213  -2.745
+  969TIP3   OH2 9215   3.732  -4.279  -2.467
+  969TIP3    H1 9216   3.820  -4.303  -2.504
+  969TIP3    H2 9217   3.709  -4.359  -2.419
+  970TIP3   OH2 9218   3.573  -2.584  -4.228
+  970TIP3    H1 9219   3.520  -2.571  -4.148
+  970TIP3    H2 9220   3.627  -2.659  -4.204
+  971TIP3   OH2 9221  -3.162  -1.483  -3.631
+  971TIP3    H1 9222  -3.161  -1.387  -3.616
+  971TIP3    H2 9223  -3.240  -1.493  -3.687
+  972TIP3   OH2 9224  -3.265  -1.536  -3.318
+  972TIP3    H1 9225  -3.272  -1.594  -3.240
+  972TIP3    H2 9226  -3.298  -1.594  -3.388
+  973TIP3   OH2 9227  -4.024  -1.578  -3.158
+  973TIP3    H1 9228  -4.033  -1.651  -3.094
+  973TIP3    H2 9229  -3.964  -1.519  -3.112
+  974TIP3   OH2 9230  -2.905  -1.254  -3.480
+  974TIP3    H1 9231  -2.938  -1.326  -3.425
+  974TIP3    H2 9232  -2.879  -1.190  -3.412
+  975TIP3   OH2 9233  -3.956  -1.114  -3.304
+  975TIP3    H1 9234  -3.984  -1.206  -3.322
+  975TIP3    H2 9235  -3.868  -1.128  -3.265
+  976TIP3   OH2 9236  -4.202  -1.814  -3.845
+  976TIP3    H1 9237  -4.209  -1.729  -3.799
+  976TIP3    H2 9238  -4.290  -1.850  -3.826
+  977TIP3   OH2 9239  -4.198  -1.554  -3.615
+  977TIP3    H1 9240  -4.190  -1.600  -3.530
+  977TIP3    H2 9241  -4.122  -1.494  -3.613
+  978TIP3   OH2 9242  -3.202  -0.727  -3.435
+  978TIP3    H1 9243  -3.142  -0.800  -3.462
+  978TIP3    H2 9244  -3.231  -0.755  -3.347
+  979TIP3   OH2 9245  -3.421  -1.286  -3.264
+  979TIP3    H1 9246  -3.386  -1.357  -3.321
+  979TIP3    H2 9247  -3.342  -1.267  -3.211
+  980TIP3   OH2 9248  -2.563  -2.131  -3.201
+  980TIP3    H1 9249  -2.535  -2.073  -3.127
+  980TIP3    H2 9250  -2.498  -2.105  -3.269
+  981TIP3   OH2 9251  -3.100  -1.852  -3.214
+  981TIP3    H1 9252  -3.082  -1.948  -3.206
+  981TIP3    H2 9253  -3.104  -1.841  -3.310
+  982TIP3   OH2 9254  -3.793  -2.051  -3.507
+  982TIP3    H1 9255  -3.787  -1.963  -3.550
+  982TIP3    H2 9256  -3.838  -2.102  -3.577
+  983TIP3   OH2 9257  -3.014  -2.043  -3.678
+  983TIP3    H1 9258  -2.956  -2.077  -3.606
+  983TIP3    H2 9259  -2.950  -1.994  -3.730
+  984TIP3   OH2 9260  -4.137  -1.779  -3.451
+  984TIP3    H1 9261  -4.080  -1.820  -3.384
+  984TIP3    H2 9262  -4.121  -1.836  -3.527
+  985TIP3   OH2 9263  -3.587  -1.640  -3.513
+  985TIP3    H1 9264  -3.521  -1.697  -3.469
+  985TIP3    H2 9265  -3.644  -1.706  -3.556
+  986TIP3   OH2 9266  -2.486  -1.996  -2.952
+  986TIP3    H1 9267  -2.548  -1.926  -2.977
+  986TIP3    H2 9268  -2.507  -2.005  -2.858
+  987TIP3   OH2 9269  -3.918  -2.169  -3.088
+  987TIP3    H1 9270  -3.964  -2.122  -3.160
+  987TIP3    H2 9271  -3.981  -2.154  -3.014
+  988TIP3   OH2 9272  -3.169  -1.197  -3.750
+  988TIP3    H1 9273  -3.204  -1.217  -3.838
+  988TIP3    H2 9274  -3.213  -1.112  -3.730
+  989TIP3   OH2 9275  -3.629  -1.385  -3.081
+  989TIP3    H1 9276  -3.702  -1.327  -3.049
+  989TIP3    H2 9277  -3.569  -1.320  -3.120
+  990TIP3   OH2 9278  -2.837  -2.108  -3.469
+  990TIP3    H1 9279  -2.868  -2.170  -3.402
+  990TIP3    H2 9280  -2.778  -2.051  -3.417
+  991TIP3   OH2 9281  -3.957  -1.967  -3.296
+  991TIP3    H1 9282  -3.895  -1.908  -3.249
+  991TIP3    H2 9283  -3.897  -2.003  -3.365
+  992TIP3   OH2 9284  -3.833  -1.193  -3.012
+  992TIP3    H1 9285  -3.820  -1.096  -3.016
+  992TIP3    H2 9286  -3.886  -1.196  -2.931
+  993TIP3   OH2 9287  -4.188  -1.238  -3.915
+  993TIP3    H1 9288  -4.253  -1.213  -3.984
+  993TIP3    H2 9289  -4.205  -1.172  -3.846
+  994TIP3   OH2 9290  -2.849  -1.087  -3.206
+  994TIP3    H1 9291  -2.943  -1.068  -3.222
+  994TIP3    H2 9292  -2.808  -1.004  -3.236
+  995TIP3   OH2 9293  -2.820  -2.196  -3.087
+  995TIP3    H1 9294  -2.896  -2.154  -3.131
+  995TIP3    H2 9295  -2.746  -2.176  -3.147
+  996TIP3   OH2 9296  -3.565  -2.462  -3.440
+  996TIP3    H1 9297  -3.476  -2.427  -3.434
+  996TIP3    H2 9298  -3.615  -2.404  -3.383
+  997TIP3   OH2 9299  -3.020  -0.889  -3.581
+  997TIP3    H1 9300  -2.970  -0.966  -3.614
+  997TIP3    H2 9301  -2.953  -0.818  -3.592
+  998TIP3   OH2 9302  -2.874  -1.103  -3.721
+  998TIP3    H1 9303  -2.930  -1.149  -3.785
+  998TIP3    H2 9304  -2.879  -1.162  -3.644
+  999TIP3   OH2 9305  -3.291  -1.535  -3.904
+  999TIP3    H1 9306  -3.358  -1.470  -3.934
+  999TIP3    H2 9307  -3.220  -1.521  -3.968
+ 1000TIP3   OH2 9308  -3.273  -1.708  -4.206
+ 1000TIP3    H1 9309  -3.206  -1.673  -4.144
+ 1000TIP3    H2 9310  -3.217  -1.769  -4.260
+ 1001TIP3   OH2 9311  -2.559  -1.595  -3.079
+ 1001TIP3    H1 9312  -2.623  -1.524  -3.066
+ 1001TIP3    H2 9313  -2.508  -1.563  -3.156
+ 1002TIP3   OH2 9314  -2.945  -1.532  -3.795
+ 1002TIP3    H1 9315  -3.013  -1.509  -3.727
+ 1002TIP3    H2 9316  -2.883  -1.585  -3.741
+ 1003TIP3   OH2 9317  -2.957  -1.679  -2.908
+ 1003TIP3    H1 9318  -2.968  -1.615  -2.836
+ 1003TIP3    H2 9319  -3.024  -1.647  -2.971
+ 1004TIP3   OH2 9320  -3.779  -1.449  -3.618
+ 1004TIP3    H1 9321  -3.815  -1.493  -3.698
+ 1004TIP3    H2 9322  -3.718  -1.517  -3.584
+ 1005TIP3   OH2 9323  -3.643  -1.109  -3.345
+ 1005TIP3    H1 9324  -3.657  -1.153  -3.430
+ 1005TIP3    H2 9325  -3.566  -1.157  -3.310
+ 1006TIP3   OH2 9326  -3.727  -1.573  -3.273
+ 1006TIP3    H1 9327  -3.666  -1.564  -3.349
+ 1006TIP3    H2 9328  -3.694  -1.505  -3.211
+ 1007TIP3   OH2 9329  -3.119  -1.024  -3.210
+ 1007TIP3    H1 9330  -3.138  -0.949  -3.151
+ 1007TIP3    H2 9331  -3.155  -1.101  -3.162
+ 1008TIP3   OH2 9332  -3.035  -1.584  -4.058
+ 1008TIP3    H1 9333  -2.994  -1.557  -3.973
+ 1008TIP3    H2 9334  -2.975  -1.541  -4.121
+ 1009TIP3   OH2 9335  -3.956  -1.506  -2.870
+ 1009TIP3    H1 9336  -3.947  -1.448  -2.791
+ 1009TIP3    H2 9337  -4.054  -1.508  -2.877
+ 1010TIP3   OH2 9338  -3.302  -0.924  -3.696
+ 1010TIP3    H1 9339  -3.255  -0.896  -3.616
+ 1010TIP3    H2 9340  -3.351  -0.844  -3.720
+ 1011TIP3   OH2 9341  -2.696  -2.412  -4.077
+ 1011TIP3    H1 9342  -2.784  -2.392  -4.040
+ 1011TIP3    H2 9343  -2.666  -2.326  -4.107
+ 1012TIP3   OH2 9344  -3.887  -1.580  -3.870
+ 1012TIP3    H1 9345  -3.916  -1.499  -3.917
+ 1012TIP3    H2 9346  -3.961  -1.640  -3.887
+ 1013TIP3   OH2 9347  -2.590  -0.985  -4.251
+ 1013TIP3    H1 9348  -2.559  -0.905  -4.206
+ 1013TIP3    H2 9349  -2.515  -1.046  -4.241
+ 1014TIP3   OH2 9350  -4.275  -1.298  -3.021
+ 1014TIP3    H1 9351  -4.293  -1.340  -3.107
+ 1014TIP3    H2 9352  -4.313  -1.361  -2.959
+ 1015TIP3   OH2 9353  -4.275  -1.008  -3.316
+ 1015TIP3    H1 9354  -4.198  -1.060  -3.291
+ 1015TIP3    H2 9355  -4.307  -0.973  -3.232
+ 1016TIP3   OH2 9356  -2.444  -0.957  -2.721
+ 1016TIP3    H1 9357  -2.455  -1.053  -2.732
+ 1016TIP3    H2 9358  -2.532  -0.930  -2.686
+ 1017TIP3   OH2 9359  -3.385  -1.043  -2.837
+ 1017TIP3    H1 9360  -3.362  -0.961  -2.790
+ 1017TIP3    H2 9361  -3.476  -1.058  -2.806
+ 1018TIP3   OH2 9362  -3.346  -0.654  -3.848
+ 1018TIP3    H1 9363  -3.347  -0.641  -3.944
+ 1018TIP3    H2 9364  -3.343  -0.563  -3.813
+ 1019TIP3   OH2 9365  -3.978  -0.739  -3.677
+ 1019TIP3    H1 9366  -3.954  -0.782  -3.592
+ 1019TIP3    H2 9367  -4.054  -0.795  -3.700
+ 1020TIP3   OH2 9368  -3.024  -0.693  -4.139
+ 1020TIP3    H1 9369  -2.978  -0.751  -4.203
+ 1020TIP3    H2 9370  -3.020  -0.746  -4.058
+ 1021TIP3   OH2 9371  -3.075  -0.765  -3.863
+ 1021TIP3    H1 9372  -3.168  -0.748  -3.841
+ 1021TIP3    H2 9373  -3.053  -0.832  -3.796
+ 1022TIP3   OH2 9374  -2.762  -1.816  -2.681
+ 1022TIP3    H1 9375  -2.816  -1.783  -2.754
+ 1022TIP3    H2 9376  -2.761  -1.912  -2.697
+ 1023TIP3   OH2 9377  -4.115  -1.145  -2.834
+ 1023TIP3    H1 9378  -4.040  -1.186  -2.788
+ 1023TIP3    H2 9379  -4.150  -1.214  -2.894
+ 1024TIP3   OH2 9380  -3.746  -2.300  -3.287
+ 1024TIP3    H1 9381  -3.828  -2.317  -3.338
+ 1024TIP3    H2 9382  -3.778  -2.234  -3.224
+ 1025TIP3   OH2 9383  -3.335  -2.382  -2.885
+ 1025TIP3    H1 9384  -3.269  -2.428  -2.871
+ 1025TIP3    H2 9385  -3.319  -2.296  -2.817
+ 1026TIP3   OH2 9386  -3.000  -1.973  -2.876
+ 1026TIP3    H1 9387  -3.053  -1.990  -2.796
+ 1026TIP3    H2 9388  -3.002  -1.876  -2.884
+ 1027TIP3   OH2 9389  -2.814  -1.504  -4.252
+ 1027TIP3    H1 9390  -2.861  -1.517  -4.336
+ 1027TIP3    H2 9391  -2.783  -1.414  -4.265
+ 1028TIP3   OH2 9392  -3.334  -2.123  -4.191
+ 1028TIP3    H1 9393  -3.392  -2.103  -4.117
+ 1028TIP3    H2 9394  -3.388  -2.182  -4.245
+ 1029TIP3   OH2 9395  -3.760  -1.830  -3.147
+ 1029TIP3    H1 9396  -3.821  -1.819  -3.072
+ 1029TIP3    H2 9397  -3.757  -1.739  -3.183
+ 1030TIP3   OH2 9398  -3.769  -1.821  -3.661
+ 1030TIP3    H1 9399  -3.865  -1.829  -3.673
+ 1030TIP3    H2 9400  -3.738  -1.837  -3.751
+ 1031TIP3   OH2 9401  -3.221  -1.782  -3.797
+ 1031TIP3    H1 9402  -3.253  -1.692  -3.821
+ 1031TIP3    H2 9403  -3.144  -1.790  -3.856
+ 1032TIP3   OH2 9404  -3.279  -1.751  -2.649
+ 1032TIP3    H1 9405  -3.336  -1.820  -2.609
+ 1032TIP3    H2 9406  -3.195  -1.765  -2.601
+ 1033TIP3   OH2 9407  -3.122  -1.827  -3.507
+ 1033TIP3    H1 9408  -3.153  -1.768  -3.579
+ 1033TIP3    H2 9409  -3.102  -1.907  -3.559
+ 1034TIP3   OH2 9410  -4.019  -1.816  -2.966
+ 1034TIP3    H1 9411  -4.002  -1.773  -2.882
+ 1034TIP3    H2 9412  -4.051  -1.903  -2.938
+ 1035TIP3   OH2 9413  -3.652  -2.076  -4.308
+ 1035TIP3    H1 9414  -3.699  -2.101  -4.228
+ 1035TIP3    H2 9415  -3.720  -2.021  -4.352
+ 1036TIP3   OH2 9416  -4.321  -2.046  -3.596
+ 1036TIP3    H1 9417  -4.305  -2.076  -3.505
+ 1036TIP3    H2 9418  -4.287  -2.120  -3.647
+ 1037TIP3   OH2 9419  -4.207  -2.028  -4.043
+ 1037TIP3    H1 9420  -4.148  -1.985  -4.107
+ 1037TIP3    H2 9421  -4.275  -1.961  -4.032
+ 1038TIP3   OH2 9422  -3.206  -1.657  -3.053
+ 1038TIP3    H1 9423  -3.165  -1.730  -3.106
+ 1038TIP3    H2 9424  -3.248  -1.708  -2.981
+ 1039TIP3   OH2 9425  -3.504  -2.072  -3.572
+ 1039TIP3    H1 9426  -3.595  -2.067  -3.535
+ 1039TIP3    H2 9427  -3.451  -2.084  -3.492
+ 1040TIP3   OH2 9428  -4.029  -1.945  -3.682
+ 1040TIP3    H1 9429  -4.103  -1.915  -3.740
+ 1040TIP3    H2 9430  -4.003  -2.028  -3.725
+ 1041TIP3   OH2 9431  -3.669  -1.909  -3.930
+ 1041TIP3    H1 9432  -3.575  -1.887  -3.924
+ 1041TIP3    H2 9433  -3.702  -1.844  -3.996
+ 1042TIP3   OH2 9434  -3.057  -2.150  -3.260
+ 1042TIP3    H1 9435  -3.115  -2.151  -3.181
+ 1042TIP3    H2 9436  -3.119  -2.179  -3.329
+ 1043TIP3   OH2 9437  -3.809  -1.794  -4.156
+ 1043TIP3    H1 9438  -3.876  -1.835  -4.213
+ 1043TIP3    H2 9439  -3.741  -1.767  -4.219
+ 1044TIP3   OH2 9440  -2.742  -0.582  -2.592
+ 1044TIP3    H1 9441  -2.731  -0.524  -2.669
+ 1044TIP3    H2 9442  -2.692  -0.533  -2.525
+ 1045TIP3   OH2 9443  -3.966  -1.342  -2.639
+ 1045TIP3    H1 9444  -3.895  -1.293  -2.593
+ 1045TIP3    H2 9445  -4.042  -1.303  -2.593
+ 1046TIP3   OH2 9446  -3.390  -1.811  -3.377
+ 1046TIP3    H1 9447  -3.312  -1.851  -3.418
+ 1046TIP3    H2 9448  -3.406  -1.869  -3.300
+ 1047TIP3   OH2 9449  -3.868  -2.176  -3.751
+ 1047TIP3    H1 9450  -3.926  -2.254  -3.750
+ 1047TIP3    H2 9451  -3.810  -2.194  -3.826
+ 1048TIP3   OH2 9452  -3.488  -1.961  -3.151
+ 1048TIP3    H1 9453  -3.569  -1.906  -3.148
+ 1048TIP3    H2 9454  -3.443  -1.936  -3.068
+ 1049TIP3   OH2 9455  -3.472  -1.329  -3.959
+ 1049TIP3    H1 9456  -3.552  -1.373  -3.995
+ 1049TIP3    H2 9457  -3.496  -1.318  -3.864
+ 1050TIP3   OH2 9458  -2.763  -1.383  -3.058
+ 1050TIP3    H1 9459  -2.712  -1.329  -3.121
+ 1050TIP3    H2 9460  -2.843  -1.402  -3.111
+ 1051TIP3   OH2 9461  -3.070  -2.057  -4.172
+ 1051TIP3    H1 9462  -3.166  -2.047  -4.183
+ 1051TIP3    H2 9463  -3.043  -1.977  -4.123
+ 1052TIP3   OH2 9464  -3.300  -1.326  -2.829
+ 1052TIP3    H1 9465  -3.342  -1.359  -2.747
+ 1052TIP3    H2 9466  -3.333  -1.234  -2.830
+ 1053TIP3   OH2 9467  -3.002  -1.863  -3.988
+ 1053TIP3    H1 9468  -2.915  -1.880  -3.945
+ 1053TIP3    H2 9469  -2.988  -1.774  -4.027
+ 1054TIP3   OH2 9470  -3.982  -1.398  -3.394
+ 1054TIP3    H1 9471  -3.909  -1.399  -3.457
+ 1054TIP3    H2 9472  -3.963  -1.475  -3.338
+ 1055TIP3   OH2 9473  -3.234  -1.190  -4.069
+ 1055TIP3    H1 9474  -3.262  -1.102  -4.038
+ 1055TIP3    H2 9475  -3.311  -1.243  -4.042
+ 1056TIP3   OH2 9476  -4.234  -1.543  -2.824
+ 1056TIP3    H1 9477  -4.233  -1.605  -2.749
+ 1056TIP3    H2 9478  -4.286  -1.592  -2.891
+ 1057TIP3   OH2 9479  -3.543  -1.607  -2.649
+ 1057TIP3    H1 9480  -3.578  -1.632  -2.737
+ 1057TIP3    H2 9481  -3.448  -1.628  -2.660
+ 1058TIP3   OH2 9482  -2.530  -1.850  -3.998
+ 1058TIP3    H1 9483  -2.592  -1.870  -4.070
+ 1058TIP3    H2 9484  -2.517  -1.756  -4.016
+ 1059TIP3   OH2 9485  -2.514  -1.255  -2.746
+ 1059TIP3    H1 9486  -2.604  -1.235  -2.776
+ 1059TIP3    H2 9487  -2.468  -1.271  -2.831
+ 1060TIP3   OH2 9488  -2.708  -0.997  -3.992
+ 1060TIP3    H1 9489  -2.736  -1.072  -3.939
+ 1060TIP3    H2 9490  -2.673  -1.038  -4.072
+ 1061TIP3   OH2 9491  -2.984  -1.468  -3.242
+ 1061TIP3    H1 9492  -3.076  -1.484  -3.273
+ 1061TIP3    H2 9493  -2.936  -1.536  -3.294
+ 1062TIP3   OH2 9494  -3.725  -1.058  -3.658
+ 1062TIP3    H1 9495  -3.687  -0.969  -3.663
+ 1062TIP3    H2 9496  -3.819  -1.039  -3.671
+ 1063TIP3   OH2 9497  -4.158  -1.563  -4.191
+ 1063TIP3    H1 9498  -4.083  -1.504  -4.167
+ 1063TIP3    H2 9499  -4.232  -1.506  -4.170
+ 1064TIP3   OH2 9500  -3.543  -1.287  -3.692
+ 1064TIP3    H1 9501  -3.573  -1.196  -3.676
+ 1064TIP3    H2 9502  -3.615  -1.337  -3.650
+ 1065TIP3   OH2 9503  -3.522  -0.863  -3.057
+ 1065TIP3    H1 9504  -3.468  -0.786  -3.080
+ 1065TIP3    H2 9505  -3.467  -0.908  -2.991
+ 1066TIP3   OH2 9506  -3.681  -0.766  -3.737
+ 1066TIP3    H1 9507  -3.777  -0.754  -3.723
+ 1066TIP3    H2 9508  -3.647  -0.679  -3.707
+ 1067TIP3   OH2 9509  -3.156  -1.280  -3.070
+ 1067TIP3    H1 9510  -3.207  -1.317  -2.995
+ 1067TIP3    H2 9511  -3.106  -1.357  -3.103
+ 1068TIP3   OH2 9512  -2.970  -1.162  -4.195
+ 1068TIP3    H1 9513  -2.921  -1.204  -4.121
+ 1068TIP3    H2 9514  -3.060  -1.167  -4.159
+ 1069TIP3   OH2 9515  -2.908  -0.862  -2.880
+ 1069TIP3    H1 9516  -2.986  -0.849  -2.939
+ 1069TIP3    H2 9517  -2.859  -0.780  -2.904
+ 1070TIP3   OH2 9518  -2.480  -0.712  -4.160
+ 1070TIP3    H1 9519  -2.411  -0.644  -4.144
+ 1070TIP3    H2 9520  -2.560  -0.661  -4.135
+ 1071TIP3   OH2 9521  -4.100  -2.086  -2.888
+ 1071TIP3    H1 9522  -4.186  -2.046  -2.910
+ 1071TIP3    H2 9523  -4.123  -2.170  -2.845
+ 1072TIP3   OH2 9524  -2.871  -1.299  -3.970
+ 1072TIP3    H1 9525  -2.898  -1.368  -3.906
+ 1072TIP3    H2 9526  -2.774  -1.300  -3.960
+ 1073TIP3   OH2 9527  -4.122  -0.904  -3.032
+ 1073TIP3    H1 9528  -4.111  -0.999  -3.045
+ 1073TIP3    H2 9529  -4.080  -0.899  -2.945
+ 1074TIP3   OH2 9530  -3.520  -1.054  -4.326
+ 1074TIP3    H1 9531  -3.484  -1.140  -4.354
+ 1074TIP3    H2 9532  -3.575  -1.081  -4.250
+ 1075TIP3   OH2 9533  -3.663  -1.099  -4.077
+ 1075TIP3    H1 9534  -3.616  -1.150  -4.010
+ 1075TIP3    H2 9535  -3.646  -1.007  -4.049
+ 1076TIP3   OH2 9536  -3.983  -1.363  -4.035
+ 1076TIP3    H1 9537  -4.060  -1.323  -3.988
+ 1076TIP3    H2 9538  -3.941  -1.282  -4.067
+ 1077TIP3   OH2 9539  -3.205  -2.118  -3.037
+ 1077TIP3    H1 9540  -3.149  -2.077  -2.970
+ 1077TIP3    H2 9541  -3.263  -2.176  -2.986
+ 1078TIP3   OH2 9542  -3.163  -2.175  -3.915
+ 1078TIP3    H1 9543  -3.136  -2.126  -3.994
+ 1078TIP3    H2 9544  -3.116  -2.127  -3.845
+ 1079TIP3   OH2 9545  -3.368  -0.941  -4.029
+ 1079TIP3    H1 9546  -3.446  -0.890  -4.001
+ 1079TIP3    H2 9547  -3.317  -0.873  -4.073
+ 1080TIP3   OH2 9548  -3.398  -2.015  -3.822
+ 1080TIP3    H1 9549  -3.338  -1.937  -3.823
+ 1080TIP3    H2 9550  -3.443  -2.002  -3.735
+ 1081TIP3   OH2 9551  -3.361  -1.874  -2.901
+ 1081TIP3    H1 9552  -3.365  -1.822  -2.819
+ 1081TIP3    H2 9553  -3.313  -1.952  -2.869
+ 1082TIP3   OH2 9554  -3.648  -0.822  -4.025
+ 1082TIP3    H1 9555  -3.645  -0.736  -4.071
+ 1082TIP3    H2 9556  -3.663  -0.794  -3.932
+ 1083TIP3   OH2 9557  -3.761  -2.162  -4.054
+ 1083TIP3    H1 9558  -3.757  -2.075  -4.011
+ 1083TIP3    H2 9559  -3.670  -2.194  -4.049
+ 1084TIP3   OH2 9560  -2.740  -2.070  -2.814
+ 1084TIP3    H1 9561  -2.837  -2.061  -2.826
+ 1084TIP3    H2 9562  -2.716  -2.096  -2.904
+ 1085TIP3   OH2 9563  -2.889  -1.688  -3.409
+ 1085TIP3    H1 9564  -2.972  -1.732  -3.435
+ 1085TIP3    H2 9565  -2.841  -1.759  -3.361
+ 1086TIP3   OH2 9566  -3.934  -1.060  -4.162
+ 1086TIP3    H1 9567  -3.853  -1.038  -4.113
+ 1086TIP3    H2 9568  -3.898  -1.120  -4.229
+ 1087TIP3   OH2 9569  -4.099  -1.848  -4.260
+ 1087TIP3    H1 9570  -4.105  -1.753  -4.239
+ 1087TIP3    H2 9571  -4.189  -1.867  -4.291
+ 1088TIP3   OH2 9572  -2.779  -0.805  -3.261
+ 1088TIP3    H1 9573  -2.807  -0.729  -3.316
+ 1088TIP3    H2 9574  -2.686  -0.781  -3.247
+ 1089TIP3   OH2 9575  -4.023  -2.364  -3.374
+ 1089TIP3    H1 9576  -4.060  -2.362  -3.465
+ 1089TIP3    H2 9577  -4.069  -2.441  -3.335
+ 1090TIP3   OH2 9578  -4.132  -0.984  -3.741
+ 1090TIP3    H1 9579  -4.228  -0.966  -3.736
+ 1090TIP3    H2 9580  -4.109  -0.957  -3.831
+ 1091TIP3   OH2 9581  -4.213  -0.711  -2.635
+ 1091TIP3    H1 9582  -4.146  -0.704  -2.563
+ 1091TIP3    H2 9583  -4.215  -0.808  -2.642
+ 1092TIP3   OH2 9584  -3.704  -0.792  -2.461
+ 1092TIP3    H1 9585  -3.655  -0.866  -2.424
+ 1092TIP3    H2 9586  -3.744  -0.836  -2.538
+ 1093TIP3   OH2 9587  -3.305  -0.870  -4.333
+ 1093TIP3    H1 9588  -3.386  -0.925  -4.326
+ 1093TIP3    H2 9589  -3.240  -0.939  -4.352
+ 1094TIP3   OH2 9590  -3.044  -1.018  -2.631
+ 1094TIP3    H1 9591  -3.117  -1.067  -2.588
+ 1094TIP3    H2 9592  -3.013  -0.965  -2.555
+ 1095TIP3   OH2 9593  -2.918  -0.900  -4.289
+ 1095TIP3    H1 9594  -2.893  -0.981  -4.242
+ 1095TIP3    H2 9595  -2.833  -0.861  -4.315
+ 1096TIP3   OH2 9596  -4.216  -1.322  -2.548
+ 1096TIP3    H1 9597  -4.182  -1.394  -2.604
+ 1096TIP3    H2 9598  -4.276  -1.275  -2.607
+ 1097TIP3   OH2 9599  -3.775  -1.296  -4.307
+ 1097TIP3    H1 9600  -3.754  -1.359  -4.236
+ 1097TIP3    H2 9601  -3.703  -1.306  -4.370
+ 1098TIP3   OH2 9602  -3.526  -1.317  -2.614
+ 1098TIP3    H1 9603  -3.598  -1.292  -2.673
+ 1098TIP3    H2 9604  -3.534  -1.414  -2.607
+ 1099TIP3   OH2 9605  -3.245  -1.190  -4.348
+ 1099TIP3    H1 9606  -3.231  -1.177  -4.252
+ 1099TIP3    H2 9607  -3.180  -1.258  -4.370
+ 1100TIP3   OH2 9608  -4.139  -1.661  -2.583
+ 1100TIP3    H1 9609  -4.052  -1.704  -2.595
+ 1100TIP3    H2 9610  -4.122  -1.607  -2.505
+ 1101TIP3   OH2 9611  -3.674  -1.498  -4.091
+ 1101TIP3    H1 9612  -3.737  -1.540  -4.030
+ 1101TIP3    H2 9613  -3.641  -1.573  -4.143
+ 1102TIP3   OH2 9614  -3.747  -1.723  -2.853
+ 1102TIP3    H1 9615  -3.806  -1.647  -2.835
+ 1102TIP3    H2 9616  -3.686  -1.685  -2.918
+ 1103TIP3   OH2 9617  -3.553  -1.695  -4.270
+ 1103TIP3    H1 9618  -3.556  -1.708  -4.365
+ 1103TIP3    H2 9619  -3.457  -1.691  -4.253
+ 1104TIP3   OH2 9620  -3.228  -1.456  -2.502
+ 1104TIP3    H1 9621  -3.137  -1.473  -2.531
+ 1104TIP3    H2 9622  -3.247  -1.536  -2.450
+ 1105TIP3   OH2 9623  -3.690  -1.994  -2.741
+ 1105TIP3    H1 9624  -3.684  -2.059  -2.812
+ 1105TIP3    H2 9625  -3.712  -1.913  -2.789
+ 1106TIP3   OH2 9626  -3.656  -2.146  -2.997
+ 1106TIP3    H1 9627  -3.608  -2.093  -3.063
+ 1106TIP3    H2 9628  -3.748  -2.144  -3.031
+ 1107TIP3   OH2 9629  -3.501  -1.601  -2.957
+ 1107TIP3    H1 9630  -3.418  -1.607  -3.006
+ 1107TIP3    H2 9631  -3.536  -1.515  -2.988
+ 1108TIP3   OH2 9632  -3.042  -1.826  -2.485
+ 1108TIP3    H1 9633  -3.028  -1.918  -2.459
+ 1108TIP3    H2 9634  -2.958  -1.786  -2.456
+ 1109TIP3   OH2 9635  -2.957  -1.512  -2.657
+ 1109TIP3    H1 9636  -2.974  -1.435  -2.712
+ 1109TIP3    H2 9637  -2.862  -1.529  -2.675
+ 1110TIP3   OH2 9638  -3.881  -1.805  -2.565
+ 1110TIP3    H1 9639  -3.930  -1.889  -2.566
+ 1110TIP3    H2 9640  -3.797  -1.829  -2.606
+ 1111TIP3   OH2 9641  -3.604  -2.420  -2.962
+ 1111TIP3    H1 9642  -3.608  -2.325  -2.976
+ 1111TIP3    H2 9643  -3.671  -2.457  -3.024
+ 1112TIP3   OH2 9644  -3.456  -1.956  -2.584
+ 1112TIP3    H1 9645  -3.486  -1.978  -2.494
+ 1112TIP3    H2 9646  -3.538  -1.976  -2.634
+ 1113TIP3   OH2 9647  -3.202  -2.064  -2.693
+ 1113TIP3    H1 9648  -3.289  -2.049  -2.652
+ 1113TIP3    H2 9649  -3.154  -2.105  -2.618
+ 1114TIP3   OH2 9650  -3.030  -2.165  -2.463
+ 1114TIP3    H1 9651  -3.041  -2.262  -2.469
+ 1114TIP3    H2 9652  -3.066  -2.146  -2.375
+ 1115TIP3   OH2 9653  -4.017  -2.059  -2.579
+ 1115TIP3    H1 9654  -4.016  -2.132  -2.643
+ 1115TIP3    H2 9655  -4.032  -2.105  -2.495
+ 1116TIP3   OH2 9656  -3.601  -2.463  -2.677
+ 1116TIP3    H1 9657  -3.541  -2.539  -2.673
+ 1116TIP3    H2 9658  -3.600  -2.446  -2.774
+ 1117TIP3   OH2 9659  -3.500  -2.276  -2.491
+ 1117TIP3    H1 9660  -3.533  -2.335  -2.561
+ 1117TIP3    H2 9661  -3.570  -2.208  -2.486
+ 1118TIP3   OH2 9662  -3.594  -0.573  -4.172
+ 1118TIP3    H1 9663  -3.499  -0.560  -4.160
+ 1118TIP3    H2 9664  -3.616  -0.512  -4.245
+ 1119TIP3   OH2 9665  -4.187  -1.161  -4.193
+ 1119TIP3    H1 9666  -4.105  -1.109  -4.179
+ 1119TIP3    H2 9667  -4.189  -1.173  -4.288
+ 1120TIP3   OH2 9668  -4.272  -0.801  -3.522
+ 1120TIP3    H1 9669  -4.275  -0.893  -3.488
+ 1120TIP3    H2 9670  -4.245  -0.755  -3.441
+ 1121TIP3   OH2 9671  -2.513  -0.693  -3.223
+ 1121TIP3    H1 9672  -2.506  -0.688  -3.126
+ 1121TIP3    H2 9673  -2.429  -0.654  -3.250
+ 1122TIP3   OH2 9674  -2.549  -0.764  -2.942
+ 1122TIP3    H1 9675  -2.595  -0.843  -2.973
+ 1122TIP3    H2 9676  -2.487  -0.801  -2.878
+ 1123TIP3   OH2 9677  -2.743  -1.186  -2.521
+ 1123TIP3    H1 9678  -2.820  -1.191  -2.461
+ 1123TIP3    H2 9679  -2.686  -1.121  -2.475
+ 1124TIP3   OH2 9680  -2.586  -1.316  -3.930
+ 1124TIP3    H1 9681  -2.497  -1.280  -3.917
+ 1124TIP3    H2 9682  -2.590  -1.379  -3.856
+ 1125TIP3   OH2 9683  -2.541  -1.515  -3.732
+ 1125TIP3    H1 9684  -2.607  -1.571  -3.687
+ 1125TIP3    H2 9685  -2.472  -1.502  -3.664
+ 1126TIP3   OH2 9686  -2.566  -1.265  -3.235
+ 1126TIP3    H1 9687  -2.505  -1.314  -3.291
+ 1126TIP3    H2 9688  -2.553  -1.174  -3.267
+ 1127TIP3   OH2 9689  -2.514  -1.549  -4.107
+ 1127TIP3    H1 9690  -2.574  -1.517  -4.176
+ 1127TIP3    H2 9691  -2.530  -1.482  -4.038
+ 1128TIP3   OH2 9692  -2.694  -1.810  -4.216
+ 1128TIP3    H1 9693  -2.660  -1.731  -4.261
+ 1128TIP3    H2 9694  -2.642  -1.880  -4.257
+ 1129TIP3   OH2 9695  -2.750  -1.700  -3.651
+ 1129TIP3    H1 9696  -2.754  -1.796  -3.664
+ 1129TIP3    H2 9697  -2.785  -1.691  -3.560
+ 1130TIP3   OH2 9698  -4.257  -1.451  -3.256
+ 1130TIP3    H1 9699  -4.220  -1.426  -3.342
+ 1130TIP3    H2 9700  -4.178  -1.493  -3.214
+ 1131TIP3   OH2 9701  -2.689  -1.499  -2.734
+ 1131TIP3    H1 9702  -2.628  -1.575  -2.721
+ 1131TIP3    H2 9703  -2.626  -1.429  -2.751
+ 1132TIP3   OH2 9704  -2.529  -1.693  -2.627
+ 1132TIP3    H1 9705  -2.607  -1.751  -2.644
+ 1132TIP3    H2 9706  -2.458  -1.759  -2.620
+ 1133TIP3   OH2 9707  -2.766  -2.145  -4.336
+ 1133TIP3    H1 9708  -2.699  -2.149  -4.265
+ 1133TIP3    H2 9709  -2.850  -2.161  -4.292
+ 1134TIP3   OH2 9710  -2.768  -1.947  -3.838
+ 1134TIP3    H1 9711  -2.739  -2.040  -3.828
+ 1134TIP3    H2 9712  -2.686  -1.907  -3.872
+ 1135TIP3   OH2 9713  -2.737  -1.887  -3.289
+ 1135TIP3    H1 9714  -2.640  -1.878  -3.291
+ 1135TIP3    H2 9715  -2.751  -1.886  -3.193
+ 1136TIP3   OH2 9716  -2.720  -1.820  -3.010
+ 1136TIP3    H1 9717  -2.805  -1.782  -2.980
+ 1136TIP3    H2 9718  -2.668  -1.740  -3.030
+ 1137TIP3   OH2 9719  -4.285  -1.959  -2.650
+ 1137TIP3    H1 9720  -4.195  -1.995  -2.642
+ 1137TIP3    H2 9721  -4.342  -2.033  -2.624
+ 1138TIP3   OH2 9722  -2.464  -2.403  -2.479
+ 1138TIP3    H1 9723  -2.424  -2.473  -2.533
+ 1138TIP3    H2 9724  -2.459  -2.326  -2.538
+ 1139TIP3   OH2 9725  -2.715  -2.219  -3.829
+ 1139TIP3    H1 9726  -2.692  -2.260  -3.743
+ 1139TIP3    H2 9727  -2.787  -2.277  -3.859
+ 1140TIP3   OH2 9728  -4.194  -2.099  -3.333
+ 1140TIP3    H1 9729  -4.161  -2.190  -3.330
+ 1140TIP3    H2 9730  -4.116  -2.046  -3.311
+ 1141TIP3   OH2 9731  -4.332  -1.840  -3.244
+ 1141TIP3    H1 9732  -4.293  -1.886  -3.320
+ 1141TIP3    H2 9733  -4.329  -1.747  -3.273
+ 1142TIP3   OH2 9734  -2.516  -2.201  -2.663
+ 1142TIP3    H1 9735  -2.603  -2.164  -2.637
+ 1142TIP3    H2 9736  -2.541  -2.256  -2.739
+ 1143TIP3   OH2 9737  -2.513  -2.181  -4.180
+ 1143TIP3    H1 9738  -2.485  -2.257  -4.232
+ 1143TIP3    H2 9739  -2.428  -2.135  -4.169
+ 1144TIP3   OH2 9740  -4.316  -2.226  -3.895
+ 1144TIP3    H1 9741  -4.401  -2.199  -3.931
+ 1144TIP3    H2 9742  -4.258  -2.158  -3.936
+ 1145TIP3   OH2 9743  -2.830  -0.687  -3.643
+ 1145TIP3    H1 9744  -2.776  -0.709  -3.720
+ 1145TIP3    H2 9745  -2.766  -0.642  -3.585
+ 1146TIP3   OH2 9746  -4.292  -2.332  -3.059
+ 1146TIP3    H1 9747  -4.359  -2.339  -2.987
+ 1146TIP3    H2 9748  -4.336  -2.280  -3.128
+ 1147TIP3   OH2 9749  -3.808  -0.910  -3.021
+ 1147TIP3    H1 9750  -3.830  -0.817  -3.040
+ 1147TIP3    H2 9751  -3.713  -0.902  -3.003
+ 1148TIP3   OH2 9752  -3.345  -0.788  -2.703
+ 1148TIP3    H1 9753  -3.344  -0.797  -2.606
+ 1148TIP3    H2 9754  -3.266  -0.734  -2.720
+ 1149TIP3   OH2 9755  -3.116  -0.642  -2.779
+ 1149TIP3    H1 9756  -3.049  -0.710  -2.789
+ 1149TIP3    H2 9757  -3.090  -0.602  -2.694
+ 1150TIP3   OH2 9758  -2.639  -2.376  -2.858
+ 1150TIP3    H1 9759  -2.721  -2.359  -2.907
+ 1150TIP3    H2 9760  -2.617  -2.467  -2.889
+ 1151TIP3   OH2 9761  -4.076  -0.560  -2.935
+ 1151TIP3    H1 9762  -4.137  -0.554  -3.010
+ 1151TIP3    H2 9763  -4.105  -0.640  -2.889
+ 1152TIP3   OH2 9764  -3.819  -0.635  -3.111
+ 1152TIP3    H1 9765  -3.901  -0.612  -3.065
+ 1152TIP3    H2 9766  -3.815  -0.569  -3.183
+ 1153TIP3   OH2 9767  -3.338  -0.640  -3.156
+ 1153TIP3    H1 9768  -3.379  -0.593  -3.231
+ 1153TIP3    H2 9769  -3.332  -0.567  -3.091
+ 1154TIP3   OH2 9770  -3.107  -0.772  -3.062
+ 1154TIP3    H1 9771  -3.192  -0.734  -3.093
+ 1154TIP3    H2 9772  -3.052  -0.692  -3.062
+ 1155TIP3   OH2 9773  -2.854  -0.598  -3.043
+ 1155TIP3    H1 9774  -2.858  -0.501  -3.058
+ 1155TIP3    H2 9775  -2.827  -0.627  -3.131
+ 1156TIP3   OH2 9776  -4.116  -0.726  -3.267
+ 1156TIP3    H1 9777  -4.132  -0.783  -3.188
+ 1156TIP3    H2 9778  -4.049  -0.780  -3.314
+ 1157TIP3   OH2 9779  -3.909  -0.862  -3.426
+ 1157TIP3    H1 9780  -3.927  -0.953  -3.394
+ 1157TIP3    H2 9781  -3.821  -0.846  -3.387
+ 1158TIP3   OH2 9782  -3.627  -0.816  -3.339
+ 1158TIP3    H1 9783  -3.615  -0.910  -3.360
+ 1158TIP3    H2 9784  -3.625  -0.820  -3.242
+ 1159TIP3   OH2 9785  -3.295  -2.226  -3.439
+ 1159TIP3    H1 9786  -3.351  -2.291  -3.394
+ 1159TIP3    H2 9787  -3.219  -2.280  -3.468
+ 1160TIP3   OH2 9788  -2.802  -2.421  -3.362
+ 1160TIP3    H1 9789  -2.722  -2.386  -3.404
+ 1160TIP3    H2 9790  -2.874  -2.381  -3.413
+ 1161TIP3   OH2 9791  -2.596  -2.305  -3.577
+ 1161TIP3    H1 9792  -2.527  -2.357  -3.621
+ 1161TIP3    H2 9793  -2.554  -2.217  -3.570
+ 1162TIP3   OH2 9794  -4.101  -2.368  -3.661
+ 1162TIP3    H1 9795  -4.180  -2.394  -3.710
+ 1162TIP3    H2 9796  -4.047  -2.449  -3.665
+ 1163TIP3   OH2 9797  -4.177  -2.400  -4.081
+ 1163TIP3    H1 9798  -4.134  -2.330  -4.134
+ 1163TIP3    H2 9799  -4.230  -2.346  -4.019
+ 1164TIP3   OH2 9800  -3.047  -2.368  -3.520
+ 1164TIP3    H1 9801  -3.042  -2.368  -3.618
+ 1164TIP3    H2 9802  -3.074  -2.458  -3.498
+ 1165TIP3   OH2 9803  -2.943  -2.365  -3.925
+ 1165TIP3    H1 9804  -3.023  -2.313  -3.945
+ 1165TIP3    H2 9805  -2.974  -2.456  -3.933
+ 1166TIP3   OH2 9806  -4.178  -0.804  -3.992
+ 1166TIP3    H1 9807  -4.266  -0.825  -4.027
+ 1166TIP3    H2 9808  -4.186  -0.711  -3.971
+ 1167TIP3   OH2 9809  -4.001  -2.219  -4.233
+ 1167TIP3    H1 9810  -3.950  -2.290  -4.274
+ 1167TIP3    H2 9811  -3.939  -2.184  -4.167
+ 1168TIP3   OH2 9812  -3.298  -0.646  -4.146
+ 1168TIP3    H1 9813  -3.200  -0.634  -4.150
+ 1168TIP3    H2 9814  -3.308  -0.708  -4.221
+ 1169TIP3   OH2 9815  -2.633  -0.727  -3.885
+ 1169TIP3    H1 9816  -2.666  -0.810  -3.927
+ 1169TIP3    H2 9817  -2.658  -0.660  -3.952
+ 1170TIP3   OH2 9818  -4.079  -2.330  -2.703
+ 1170TIP3    H1 9819  -4.124  -2.405  -2.662
+ 1170TIP3    H2 9820  -3.988  -2.345  -2.672
+ 1171TIP3   OH2 9821  -3.845  -2.392  -2.527
+ 1171TIP3    H1 9822  -3.762  -2.426  -2.566
+ 1171TIP3    H2 9823  -3.878  -2.472  -2.482
+ 1172TIP3   OH2 9824  -3.980  -0.703  -4.245
+ 1172TIP3    H1 9825  -4.020  -0.679  -4.160
+ 1172TIP3    H2 9826  -3.918  -0.772  -4.220
+ 1173TIP3   OH2 9827  -3.031  -2.460  -2.509
+ 1173TIP3    H1 9828  -3.029  -2.507  -2.423
+ 1173TIP3    H2 9829  -2.937  -2.464  -2.535
+ 1174TIP3   OH2 9830  -2.693  -0.849  -2.649
+ 1174TIP3    H1 9831  -2.778  -0.859  -2.692
+ 1174TIP3    H2 9832  -2.699  -0.755  -2.619
+ 1175TIP3   OH2 9833  -1.274  -1.482  -3.628
+ 1175TIP3    H1 9834  -1.276  -1.386  -3.614
+ 1175TIP3    H2 9835  -1.352  -1.495  -3.684
+ 1176TIP3   OH2 9836  -1.390  -1.537  -3.320
+ 1176TIP3    H1 9837  -1.390  -1.592  -3.240
+ 1176TIP3    H2 9838  -1.417  -1.600  -3.388
+ 1177TIP3   OH2 9839  -2.142  -1.578  -3.152
+ 1177TIP3    H1 9840  -2.143  -1.654  -3.091
+ 1177TIP3    H2 9841  -2.071  -1.525  -3.114
+ 1178TIP3   OH2 9842  -1.022  -1.262  -3.488
+ 1178TIP3    H1 9843  -1.058  -1.334  -3.435
+ 1178TIP3    H2 9844  -0.993  -1.201  -3.419
+ 1179TIP3   OH2 9845  -2.077  -1.114  -3.305
+ 1179TIP3    H1 9846  -2.100  -1.206  -3.329
+ 1179TIP3    H2 9847  -1.984  -1.126  -3.279
+ 1180TIP3   OH2 9848  -2.376  -1.774  -3.763
+ 1180TIP3    H1 9849  -2.417  -1.686  -3.753
+ 1180TIP3    H2 9850  -2.446  -1.823  -3.808
+ 1181TIP3   OH2 9851  -2.297  -1.529  -3.579
+ 1181TIP3    H1 9852  -2.282  -1.612  -3.530
+ 1181TIP3    H2 9853  -2.212  -1.518  -3.625
+ 1182TIP3   OH2 9854  -1.315  -0.726  -3.432
+ 1182TIP3    H1 9855  -1.257  -0.799  -3.463
+ 1182TIP3    H2 9856  -1.343  -0.758  -3.345
+ 1183TIP3   OH2 9857  -1.541  -1.286  -3.264
+ 1183TIP3    H1 9858  -1.508  -1.359  -3.319
+ 1183TIP3    H2 9859  -1.460  -1.270  -3.211
+ 1184TIP3   OH2 9860  -0.674  -2.135  -3.199
+ 1184TIP3    H1 9861  -0.650  -2.073  -3.128
+ 1184TIP3    H2 9862  -0.613  -2.105  -3.270
+ 1185TIP3   OH2 9863  -1.210  -1.852  -3.213
+ 1185TIP3    H1 9864  -1.197  -1.948  -3.206
+ 1185TIP3    H2 9865  -1.220  -1.841  -3.309
+ 1186TIP3   OH2 9866  -1.914  -2.052  -3.505
+ 1186TIP3    H1 9867  -1.899  -1.967  -3.550
+ 1186TIP3    H2 9868  -1.949  -2.105  -3.579
+ 1187TIP3   OH2 9869  -1.130  -2.036  -3.674
+ 1187TIP3    H1 9870  -1.073  -2.080  -3.608
+ 1187TIP3    H2 9871  -1.064  -1.992  -3.730
+ 1188TIP3   OH2 9872  -2.244  -1.778  -3.454
+ 1188TIP3    H1 9873  -2.181  -1.826  -3.397
+ 1188TIP3    H2 9874  -2.236  -1.828  -3.537
+ 1189TIP3   OH2 9875  -1.706  -1.640  -3.509
+ 1189TIP3    H1 9876  -1.636  -1.694  -3.469
+ 1189TIP3    H2 9877  -1.757  -1.707  -3.559
+ 1190TIP3   OH2 9878  -0.601  -1.997  -2.951
+ 1190TIP3    H1 9879  -0.660  -1.925  -2.980
+ 1190TIP3    H2 9880  -0.620  -1.998  -2.856
+ 1191TIP3   OH2 9881  -2.033  -2.172  -3.089
+ 1191TIP3    H1 9882  -2.075  -2.122  -3.161
+ 1191TIP3    H2 9883  -2.098  -2.161  -3.018
+ 1192TIP3   OH2 9884  -1.281  -1.194  -3.752
+ 1192TIP3    H1 9885  -1.320  -1.221  -3.835
+ 1192TIP3    H2 9886  -1.329  -1.111  -3.732
+ 1193TIP3   OH2 9887  -1.740  -1.384  -3.077
+ 1193TIP3    H1 9888  -1.814  -1.325  -3.051
+ 1193TIP3    H2 9889  -1.678  -1.322  -3.119
+ 1194TIP3   OH2 9890  -0.945  -2.110  -3.470
+ 1194TIP3    H1 9891  -0.987  -2.169  -3.405
+ 1194TIP3    H2 9892  -0.894  -2.050  -3.413
+ 1195TIP3   OH2 9893  -2.074  -1.967  -3.296
+ 1195TIP3    H1 9894  -2.009  -1.911  -3.248
+ 1195TIP3    H2 9895  -2.016  -2.004  -3.365
+ 1196TIP3   OH2 9896  -1.943  -1.197  -3.006
+ 1196TIP3    H1 9897  -1.945  -1.104  -3.033
+ 1196TIP3    H2 9898  -2.028  -1.204  -2.959
+ 1197TIP3   OH2 9899  -2.312  -1.226  -3.919
+ 1197TIP3    H1 9900  -2.330  -1.182  -4.003
+ 1197TIP3    H2 9901  -2.295  -1.152  -3.857
+ 1198TIP3   OH2 9902  -0.966  -1.083  -3.240
+ 1198TIP3    H1 9903  -1.063  -1.070  -3.236
+ 1198TIP3    H2 9904  -0.938  -0.996  -3.275
+ 1199TIP3   OH2 9905  -0.933  -2.195  -3.085
+ 1199TIP3    H1 9906  -1.010  -2.156  -3.130
+ 1199TIP3    H2 9907  -0.860  -2.176  -3.148
+ 1200TIP3   OH2 9908  -1.619  -2.423  -3.380
+ 1200TIP3    H1 9909  -1.642  -2.518  -3.385
+ 1200TIP3    H2 9910  -1.702  -2.385  -3.343
+ 1201TIP3   OH2 9911  -1.136  -0.887  -3.583
+ 1201TIP3    H1 9912  -1.088  -0.967  -3.612
+ 1201TIP3    H2 9913  -1.067  -0.819  -3.592
+ 1202TIP3   OH2 9914  -0.989  -1.101  -3.722
+ 1202TIP3    H1 9915  -1.044  -1.148  -3.786
+ 1202TIP3    H2 9916  -0.994  -1.163  -3.646
+ 1203TIP3   OH2 9917  -0.835  -1.219  -2.870
+ 1203TIP3    H1 9918  -0.846  -1.284  -2.943
+ 1203TIP3    H2 9919  -0.824  -1.136  -2.920
+ 1204TIP3   OH2 9920  -1.406  -1.531  -3.905
+ 1204TIP3    H1 9921  -1.473  -1.470  -3.940
+ 1204TIP3    H2 9922  -1.334  -1.523  -3.970
+ 1205TIP3   OH2 9923  -1.389  -1.706  -4.207
+ 1205TIP3    H1 9924  -1.321  -1.676  -4.144
+ 1205TIP3    H2 9925  -1.335  -1.767  -4.262
+ 1206TIP3   OH2 9926  -0.660  -1.602  -3.076
+ 1206TIP3    H1 9927  -0.732  -1.537  -3.068
+ 1206TIP3    H2 9928  -0.612  -1.567  -3.154
+ 1207TIP3   OH2 9929  -1.058  -1.529  -3.795
+ 1207TIP3    H1 9930  -1.127  -1.509  -3.727
+ 1207TIP3    H2 9931  -0.999  -1.586  -3.742
+ 1208TIP3   OH2 9932  -1.075  -1.675  -2.909
+ 1208TIP3    H1 9933  -1.069  -1.593  -2.858
+ 1208TIP3    H2 9934  -1.140  -1.646  -2.976
+ 1209TIP3   OH2 9935  -1.899  -1.452  -3.616
+ 1209TIP3    H1 9936  -1.929  -1.496  -3.698
+ 1209TIP3    H2 9937  -1.834  -1.516  -3.582
+ 1210TIP3   OH2 9938  -1.762  -1.110  -3.343
+ 1210TIP3    H1 9939  -1.773  -1.152  -3.429
+ 1210TIP3    H2 9940  -1.683  -1.157  -3.308
+ 1211TIP3   OH2 9941  -1.841  -1.570  -3.267
+ 1211TIP3    H1 9942  -1.782  -1.567  -3.345
+ 1211TIP3    H2 9943  -1.800  -1.504  -3.208
+ 1212TIP3   OH2 9944  -1.245  -1.020  -3.210
+ 1212TIP3    H1 9945  -1.244  -0.952  -3.139
+ 1212TIP3    H2 9946  -1.268  -1.101  -3.162
+ 1213TIP3   OH2 9947  -1.756  -1.139  -2.784
+ 1213TIP3    H1 9948  -1.806  -1.073  -2.733
+ 1213TIP3    H2 9949  -1.821  -1.165  -2.852
+ 1214TIP3   OH2 9950  -1.151  -1.582  -4.057
+ 1214TIP3    H1 9951  -1.109  -1.557  -3.972
+ 1214TIP3    H2 9952  -1.089  -1.541  -4.121
+ 1215TIP3   OH2 9953  -2.063  -1.496  -2.873
+ 1215TIP3    H1 9954  -2.058  -1.442  -2.792
+ 1215TIP3    H2 9955  -2.159  -1.514  -2.878
+ 1216TIP3   OH2 9956  -1.418  -0.923  -3.696
+ 1216TIP3    H1 9957  -1.368  -0.898  -3.617
+ 1216TIP3    H2 9958  -1.465  -0.842  -3.718
+ 1217TIP3   OH2 9959  -1.945  -0.922  -2.702
+ 1217TIP3    H1 9960  -1.958  -0.917  -2.798
+ 1217TIP3    H2 9961  -2.033  -0.947  -2.669
+ 1218TIP3   OH2 9962  -0.811  -2.416  -4.057
+ 1218TIP3    H1 9963  -0.908  -2.408  -4.047
+ 1218TIP3    H2 9964  -0.790  -2.336  -4.107
+ 1219TIP3   OH2 9965  -2.006  -1.577  -3.862
+ 1219TIP3    H1 9966  -2.030  -1.502  -3.920
+ 1219TIP3    H2 9967  -2.072  -1.643  -3.888
+ 1220TIP3   OH2 9968  -0.701  -0.982  -4.256
+ 1220TIP3    H1 9969  -0.672  -0.906  -4.203
+ 1220TIP3    H2 9970  -0.630  -1.048  -4.239
+ 1221TIP3   OH2 9971  -2.405  -1.311  -2.991
+ 1221TIP3    H1 9972  -2.442  -1.314  -3.081
+ 1221TIP3    H2 9973  -2.385  -1.406  -2.974
+ 1222TIP3   OH2 9974  -2.395  -1.019  -3.295
+ 1222TIP3    H1 9975  -2.302  -1.047  -3.293
+ 1222TIP3    H2 9976  -2.396  -0.952  -3.224
+ 1223TIP3   OH2 9977  -0.557  -0.955  -2.721
+ 1223TIP3    H1 9978  -0.567  -1.050  -2.739
+ 1223TIP3    H2 9979  -0.648  -0.932  -2.691
+ 1224TIP3   OH2 9980  -1.492  -1.033  -2.841
+ 1224TIP3    H1 9981  -1.484  -0.952  -2.787
+ 1224TIP3    H2 9982  -1.582  -1.064  -2.816
+ 1225TIP3   OH2 9983  -1.461  -0.654  -3.847
+ 1225TIP3    H1 9984  -1.462  -0.642  -3.944
+ 1225TIP3    H2 9985  -1.457  -0.562  -3.814
+ 1226TIP3   OH2 9986  -2.083  -0.741  -3.681
+ 1226TIP3    H1 9987  -2.066  -0.783  -3.594
+ 1226TIP3    H2 9988  -2.170  -0.779  -3.702
+ 1227TIP3   OH2 9989  -1.138  -0.691  -4.133
+ 1227TIP3    H1 9990  -1.094  -0.752  -4.196
+ 1227TIP3    H2 9991  -1.138  -0.744  -4.051
+ 1228TIP3   OH2 9992  -1.190  -0.766  -3.862
+ 1228TIP3    H1 9993  -1.283  -0.749  -3.840
+ 1228TIP3    H2 9994  -1.168  -0.834  -3.796
+ 1229TIP3   OH2 9995  -0.878  -1.821  -2.677
+ 1229TIP3    H1 9996  -0.930  -1.781  -2.749
+ 1229TIP3    H2 9997  -0.874  -1.914  -2.706
+ 1230TIP3   OH2 9998  -2.184  -1.155  -2.863
+ 1230TIP3    H1 9999  -2.154  -1.202  -2.782
+ 1230TIP3    H210000  -2.254  -1.214  -2.898
+ 1231TIP3   OH210001  -1.862  -2.308  -3.289
+ 1231TIP3    H110002  -1.944  -2.315  -3.341
+ 1231TIP3    H210003  -1.886  -2.236  -3.229
+ 1232TIP3   OH210004  -1.425  -2.351  -2.925
+ 1232TIP3    H110005  -1.373  -2.403  -2.861
+ 1232TIP3    H210006  -1.516  -2.384  -2.912
+ 1233TIP3   OH210007  -1.108  -1.971  -2.872
+ 1233TIP3    H110008  -1.170  -1.987  -2.798
+ 1233TIP3    H210009  -1.116  -1.875  -2.887
+ 1234TIP3   OH210010  -0.929  -1.503  -4.250
+ 1234TIP3    H110011  -0.976  -1.520  -4.333
+ 1234TIP3    H210012  -0.896  -1.414  -4.268
+ 1235TIP3   OH210013  -1.442  -2.112  -4.216
+ 1235TIP3    H110014  -1.497  -2.109  -4.137
+ 1235TIP3    H210015  -1.488  -2.181  -4.266
+ 1236TIP3   OH210016  -1.877  -1.830  -3.150
+ 1236TIP3    H110017  -1.931  -1.818  -3.070
+ 1236TIP3    H210018  -1.869  -1.738  -3.184
+ 1237TIP3   OH210019  -1.882  -1.821  -3.661
+ 1237TIP3    H110020  -1.977  -1.833  -3.677
+ 1237TIP3    H210021  -1.847  -1.842  -3.750
+ 1238TIP3   OH210022  -1.314  -1.768  -3.785
+ 1238TIP3    H110023  -1.355  -1.685  -3.818
+ 1238TIP3    H210024  -1.250  -1.788  -3.856
+ 1239TIP3   OH210025  -1.402  -1.745  -2.647
+ 1239TIP3    H110026  -1.453  -1.821  -2.611
+ 1239TIP3    H210027  -1.315  -1.759  -2.606
+ 1240TIP3   OH210028  -1.235  -1.827  -3.505
+ 1240TIP3    H110029  -1.263  -1.769  -3.580
+ 1240TIP3    H210030  -1.214  -1.908  -3.556
+ 1241TIP3   OH210031  -2.145  -1.811  -2.963
+ 1241TIP3    H110032  -2.111  -1.785  -2.877
+ 1241TIP3    H210033  -2.177  -1.902  -2.944
+ 1242TIP3   OH210034  -1.764  -2.066  -4.311
+ 1242TIP3    H110035  -1.801  -2.100  -4.227
+ 1242TIP3    H210036  -1.843  -2.021  -4.348
+ 1243TIP3   OH210037  -2.456  -2.064  -3.601
+ 1243TIP3    H110038  -2.395  -2.069  -3.525
+ 1243TIP3    H210039  -2.406  -2.105  -3.673
+ 1244TIP3   OH210040  -2.301  -2.023  -4.038
+ 1244TIP3    H110041  -2.243  -1.978  -4.101
+ 1244TIP3    H210042  -2.366  -1.954  -4.018
+ 1245TIP3   OH210043  -1.326  -1.658  -3.059
+ 1245TIP3    H110044  -1.282  -1.731  -3.109
+ 1245TIP3    H210045  -1.359  -1.706  -2.981
+ 1246TIP3   OH210046  -1.604  -2.063  -3.557
+ 1246TIP3    H110047  -1.699  -2.068  -3.535
+ 1246TIP3    H210048  -1.563  -2.083  -3.471
+ 1247TIP3   OH210049  -2.147  -1.941  -3.690
+ 1247TIP3    H110050  -2.229  -1.915  -3.736
+ 1247TIP3    H210051  -2.118  -2.020  -3.738
+ 1248TIP3   OH210052  -1.787  -1.899  -3.920
+ 1248TIP3    H110053  -1.690  -1.898  -3.916
+ 1248TIP3    H210054  -1.809  -1.843  -3.997
+ 1249TIP3   OH210055  -1.166  -2.149  -3.256
+ 1249TIP3    H110056  -1.230  -2.148  -3.181
+ 1249TIP3    H210057  -1.224  -2.183  -3.326
+ 1250TIP3   OH210058  -1.930  -1.784  -4.160
+ 1250TIP3    H110059  -1.990  -1.839  -4.213
+ 1250TIP3    H210060  -1.854  -1.774  -4.218
+ 1251TIP3   OH210061  -0.866  -0.572  -2.590
+ 1251TIP3    H110062  -0.842  -0.525  -2.671
+ 1251TIP3    H210063  -0.800  -0.538  -2.527
+ 1252TIP3   OH210064  -2.075  -1.310  -2.647
+ 1252TIP3    H110065  -2.008  -1.302  -2.576
+ 1252TIP3    H210066  -2.156  -1.309  -2.593
+ 1253TIP3   OH210067  -1.503  -1.808  -3.375
+ 1253TIP3    H110068  -1.430  -1.852  -3.420
+ 1253TIP3    H210069  -1.520  -1.869  -3.300
+ 1254TIP3   OH210070  -1.972  -2.167  -3.762
+ 1254TIP3    H110071  -2.027  -2.245  -3.748
+ 1254TIP3    H210072  -1.890  -2.206  -3.796
+ 1255TIP3   OH210073  -1.605  -1.962  -3.151
+ 1255TIP3    H110074  -1.684  -1.905  -3.149
+ 1255TIP3    H210075  -1.558  -1.938  -3.069
+ 1256TIP3   OH210076  -1.591  -1.324  -3.961
+ 1256TIP3    H110077  -1.668  -1.374  -3.995
+ 1256TIP3    H210078  -1.611  -1.319  -3.864
+ 1257TIP3   OH210079  -0.869  -1.408  -3.087
+ 1257TIP3    H110080  -0.820  -1.353  -3.152
+ 1257TIP3    H210081  -0.955  -1.419  -3.132
+ 1258TIP3   OH210082  -1.175  -2.047  -4.183
+ 1258TIP3    H110083  -1.273  -2.051  -4.186
+ 1258TIP3    H210084  -1.156  -1.971  -4.125
+ 1259TIP3   OH210085  -1.429  -1.323  -2.829
+ 1259TIP3    H110086  -1.457  -1.355  -2.742
+ 1259TIP3    H210087  -1.458  -1.231  -2.828
+ 1260TIP3   OH210088  -1.115  -1.861  -3.988
+ 1260TIP3    H110089  -1.029  -1.880  -3.945
+ 1260TIP3    H210090  -1.100  -1.775  -4.029
+ 1261TIP3   OH210091  -2.079  -1.385  -3.378
+ 1261TIP3    H110092  -2.022  -1.396  -3.457
+ 1261TIP3    H210093  -2.067  -1.471  -3.333
+ 1262TIP3   OH210094  -1.348  -1.189  -4.072
+ 1262TIP3    H110095  -1.376  -1.102  -4.038
+ 1262TIP3    H210096  -1.423  -1.244  -4.042
+ 1263TIP3   OH210097  -2.356  -1.557  -2.853
+ 1263TIP3    H110098  -2.338  -1.600  -2.767
+ 1263TIP3    H210099  -2.415  -1.622  -2.896
+ 1264TIP3   OH210100  -1.655  -1.606  -2.655
+ 1264TIP3    H110101  -1.688  -1.632  -2.742
+ 1264TIP3    H210102  -1.562  -1.635  -2.661
+ 1265TIP3   OH210103  -1.202  -1.064  -2.882
+ 1265TIP3    H110104  -1.298  -1.055  -2.887
+ 1265TIP3    H210105  -1.185  -1.039  -2.789
+ 1266TIP3   OH210106  -0.644  -1.851  -3.999
+ 1266TIP3    H110107  -0.707  -1.872  -4.071
+ 1266TIP3    H210108  -0.632  -1.757  -4.017
+ 1267TIP3   OH210109  -0.603  -1.255  -2.723
+ 1267TIP3    H110110  -0.697  -1.233  -2.742
+ 1267TIP3    H210111  -0.569  -1.272  -2.813
+ 1268TIP3   OH210112  -0.821  -0.996  -3.993
+ 1268TIP3    H110113  -0.852  -1.069  -3.938
+ 1268TIP3    H210114  -0.786  -1.042  -4.071
+ 1269TIP3   OH210115  -1.104  -1.464  -3.257
+ 1269TIP3    H110116  -1.197  -1.480  -3.280
+ 1269TIP3    H210117  -1.060  -1.537  -3.306
+ 1270TIP3   OH210118  -1.840  -1.057  -3.655
+ 1270TIP3    H110119  -1.798  -0.970  -3.664
+ 1270TIP3    H210120  -1.933  -1.037  -3.674
+ 1271TIP3   OH210121  -2.234  -1.565  -4.200
+ 1271TIP3    H110122  -2.178  -1.501  -4.152
+ 1271TIP3    H210123  -2.323  -1.544  -4.167
+ 1272TIP3   OH210124  -1.657  -1.287  -3.692
+ 1272TIP3    H110125  -1.689  -1.196  -3.676
+ 1272TIP3    H210126  -1.726  -1.338  -3.647
+ 1273TIP3   OH210127  -1.641  -0.862  -3.055
+ 1273TIP3    H110128  -1.585  -0.786  -3.082
+ 1273TIP3    H210129  -1.580  -0.911  -2.998
+ 1274TIP3   OH210130  -1.796  -0.766  -3.735
+ 1274TIP3    H110131  -1.892  -0.753  -3.724
+ 1274TIP3    H210132  -1.761  -0.679  -3.708
+ 1275TIP3   OH210133  -1.301  -1.287  -3.098
+ 1275TIP3    H110134  -1.329  -1.314  -3.009
+ 1275TIP3    H210135  -1.226  -1.347  -3.115
+ 1276TIP3   OH210136  -1.082  -1.152  -4.194
+ 1276TIP3    H110137  -1.035  -1.200  -4.123
+ 1276TIP3    H210138  -1.173  -1.165  -4.163
+ 1277TIP3   OH210139  -1.005  -0.831  -2.860
+ 1277TIP3    H110140  -1.081  -0.875  -2.900
+ 1277TIP3    H210141  -0.996  -0.750  -2.914
+ 1278TIP3   OH210142  -0.595  -0.712  -4.161
+ 1278TIP3    H110143  -0.524  -0.646  -4.146
+ 1278TIP3    H210144  -0.674  -0.660  -4.135
+ 1279TIP3   OH210145  -2.220  -2.093  -2.892
+ 1279TIP3    H110146  -2.312  -2.067  -2.914
+ 1279TIP3    H210147  -2.234  -2.178  -2.847
+ 1280TIP3   OH210148  -0.985  -1.297  -3.970
+ 1280TIP3    H110149  -1.013  -1.367  -3.908
+ 1280TIP3    H210150  -0.888  -1.301  -3.959
+ 1281TIP3   OH210151  -2.247  -0.918  -3.049
+ 1281TIP3    H110152  -2.213  -1.007  -3.032
+ 1281TIP3    H210153  -2.224  -0.873  -2.966
+ 1282TIP3   OH210154  -1.634  -1.054  -4.325
+ 1282TIP3    H110155  -1.598  -1.139  -4.355
+ 1282TIP3    H210156  -1.690  -1.083  -4.251
+ 1283TIP3   OH210157  -1.781  -1.099  -4.074
+ 1283TIP3    H110158  -1.728  -1.153  -4.014
+ 1283TIP3    H210159  -1.758  -1.007  -4.047
+ 1284TIP3   OH210160  -2.094  -1.362  -4.038
+ 1284TIP3    H110161  -2.168  -1.321  -3.988
+ 1284TIP3    H210162  -2.045  -1.284  -4.067
+ 1285TIP3   OH210163  -1.323  -2.109  -3.036
+ 1285TIP3    H110164  -1.262  -2.082  -2.965
+ 1285TIP3    H210165  -1.373  -2.182  -2.995
+ 1286TIP3   OH210166  -1.265  -2.152  -3.921
+ 1286TIP3    H110167  -1.233  -2.104  -3.998
+ 1286TIP3    H210168  -1.213  -2.114  -3.849
+ 1287TIP3   OH210169  -1.484  -0.940  -4.029
+ 1287TIP3    H110170  -1.561  -0.889  -4.001
+ 1287TIP3    H210171  -1.432  -0.873  -4.074
+ 1288TIP3   OH210172  -1.521  -1.961  -3.815
+ 1288TIP3    H110173  -1.441  -1.906  -3.800
+ 1288TIP3    H210174  -1.549  -1.980  -3.724
+ 1289TIP3   OH210175  -1.481  -1.874  -2.900
+ 1289TIP3    H110176  -1.478  -1.822  -2.818
+ 1289TIP3    H210177  -1.429  -1.951  -2.876
+ 1290TIP3   OH210178  -1.456  -2.261  -3.723
+ 1290TIP3    H110179  -1.477  -2.192  -3.657
+ 1290TIP3    H210180  -1.386  -2.217  -3.775
+ 1291TIP3   OH210181  -1.763  -0.821  -4.025
+ 1291TIP3    H110182  -1.759  -0.735  -4.072
+ 1291TIP3    H210183  -1.777  -0.793  -3.932
+ 1292TIP3   OH210184  -1.886  -2.152  -4.081
+ 1292TIP3    H110185  -1.890  -2.084  -4.012
+ 1292TIP3    H210186  -1.814  -2.210  -4.048
+ 1293TIP3   OH210187  -0.855  -2.073  -2.810
+ 1293TIP3    H110188  -0.951  -2.060  -2.825
+ 1293TIP3    H210189  -0.829  -2.095  -2.900
+ 1294TIP3   OH210190  -1.004  -1.689  -3.409
+ 1294TIP3    H110191  -1.086  -1.734  -3.435
+ 1294TIP3    H210192  -0.956  -1.760  -3.361
+ 1295TIP3   OH210193  -2.052  -1.064  -4.158
+ 1295TIP3    H110194  -1.970  -1.038  -4.113
+ 1295TIP3    H210195  -2.015  -1.117  -4.230
+ 1296TIP3   OH210196  -2.226  -1.847  -4.256
+ 1296TIP3    H110197  -2.214  -1.752  -4.239
+ 1296TIP3    H210198  -2.317  -1.850  -4.289
+ 1297TIP3   OH210199  -0.902  -0.805  -3.272
+ 1297TIP3    H110200  -0.918  -0.721  -3.319
+ 1297TIP3    H210201  -0.810  -0.791  -3.243
+ 1298TIP3   OH210202  -2.141  -2.352  -3.371
+ 1298TIP3    H110203  -2.158  -2.355  -3.467
+ 1298TIP3    H210204  -2.174  -2.439  -3.340
+ 1299TIP3   OH210205  -2.254  -1.002  -3.748
+ 1299TIP3    H110206  -2.331  -0.949  -3.724
+ 1299TIP3    H210207  -2.213  -0.950  -3.818
+ 1300TIP3   OH210208  -2.305  -0.714  -2.635
+ 1300TIP3    H110209  -2.254  -0.736  -2.555
+ 1300TIP3    H210210  -2.347  -0.799  -2.658
+ 1301TIP3   OH210211  -1.840  -0.804  -2.448
+ 1301TIP3    H110212  -1.772  -0.870  -2.427
+ 1301TIP3    H210213  -1.863  -0.831  -2.539
+ 1302TIP3   OH210214  -1.419  -0.871  -4.333
+ 1302TIP3    H110215  -1.501  -0.925  -4.325
+ 1302TIP3    H210216  -1.355  -0.941  -4.352
+ 1303TIP3   OH210217  -1.193  -0.981  -2.594
+ 1303TIP3    H110218  -1.234  -1.060  -2.555
+ 1303TIP3    H210219  -1.126  -0.956  -2.527
+ 1304TIP3   OH210220  -1.023  -0.886  -4.288
+ 1304TIP3    H110221  -1.024  -0.975  -4.248
+ 1304TIP3    H210222  -0.936  -0.885  -4.328
+ 1305TIP3   OH210223  -2.329  -1.342  -2.536
+ 1305TIP3    H110224  -2.318  -1.435  -2.560
+ 1305TIP3    H210225  -2.405  -1.316  -2.591
+ 1306TIP3   OH210226  -1.888  -1.288  -4.306
+ 1306TIP3    H110227  -1.878  -1.361  -4.243
+ 1306TIP3    H210228  -1.823  -1.311  -4.374
+ 1307TIP3   OH210229  -1.651  -1.330  -2.583
+ 1307TIP3    H110230  -1.683  -1.297  -2.668
+ 1307TIP3    H210231  -1.645  -1.427  -2.597
+ 1308TIP3   OH210232  -1.357  -1.188  -4.348
+ 1308TIP3    H110233  -1.346  -1.180  -4.251
+ 1308TIP3    H210234  -1.296  -1.260  -4.371
+ 1309TIP3   OH210235  -1.116  -1.369  -2.844
+ 1309TIP3    H110236  -1.038  -1.314  -2.862
+ 1309TIP3    H210237  -1.186  -1.301  -2.844
+ 1310TIP3   OH210238  -2.231  -1.631  -2.601
+ 1310TIP3    H110239  -2.159  -1.697  -2.600
+ 1310TIP3    H210240  -2.235  -1.609  -2.506
+ 1311TIP3   OH210241  -1.786  -1.499  -4.089
+ 1311TIP3    H110242  -1.848  -1.546  -4.030
+ 1311TIP3    H210243  -1.752  -1.572  -4.144
+ 1312TIP3   OH210244  -1.866  -1.724  -2.860
+ 1312TIP3    H110245  -1.916  -1.645  -2.834
+ 1312TIP3    H210246  -1.798  -1.686  -2.918
+ 1313TIP3   OH210247  -1.668  -1.685  -4.277
+ 1313TIP3    H110248  -1.662  -1.716  -4.369
+ 1313TIP3    H210249  -1.573  -1.690  -4.251
+ 1314TIP3   OH210250  -1.333  -1.452  -2.501
+ 1314TIP3    H110251  -1.243  -1.472  -2.531
+ 1314TIP3    H210252  -1.359  -1.536  -2.461
+ 1315TIP3   OH210253  -1.803  -1.992  -2.742
+ 1315TIP3    H110254  -1.798  -2.059  -2.812
+ 1315TIP3    H210255  -1.826  -1.912  -2.793
+ 1316TIP3   OH210256  -1.771  -2.147  -2.997
+ 1316TIP3    H110257  -1.720  -2.095  -3.062
+ 1316TIP3    H210258  -1.862  -2.144  -3.033
+ 1317TIP3   OH210259  -1.618  -1.602  -2.957
+ 1317TIP3    H110260  -1.533  -1.611  -3.004
+ 1317TIP3    H210261  -1.647  -1.514  -2.987
+ 1318TIP3   OH210262  -1.159  -1.808  -2.479
+ 1318TIP3    H110263  -1.137  -1.901  -2.464
+ 1318TIP3    H210264  -1.071  -1.768  -2.486
+ 1319TIP3   OH210265  -1.061  -1.529  -2.628
+ 1319TIP3    H110266  -1.096  -1.468  -2.697
+ 1319TIP3    H210267  -0.972  -1.545  -2.665
+ 1320TIP3   OH210268  -1.985  -1.807  -2.565
+ 1320TIP3    H110269  -2.039  -1.888  -2.561
+ 1320TIP3    H210270  -1.903  -1.840  -2.606
+ 1321TIP3   OH210271  -1.699  -2.414  -2.962
+ 1321TIP3    H110272  -1.717  -2.319  -2.977
+ 1321TIP3    H210273  -1.769  -2.456  -3.015
+ 1322TIP3   OH210274  -1.573  -1.957  -2.582
+ 1322TIP3    H110275  -1.610  -1.979  -2.494
+ 1322TIP3    H210276  -1.652  -1.976  -2.637
+ 1323TIP3   OH210277  -1.319  -2.052  -2.696
+ 1323TIP3    H110278  -1.408  -2.047  -2.656
+ 1323TIP3    H210279  -1.274  -2.115  -2.637
+ 1324TIP3   OH210280  -1.130  -2.204  -2.520
+ 1324TIP3    H110281  -1.151  -2.298  -2.506
+ 1324TIP3    H210282  -1.154  -2.162  -2.435
+ 1325TIP3   OH210283  -2.117  -2.063  -2.579
+ 1325TIP3    H110284  -2.126  -2.135  -2.644
+ 1325TIP3    H210285  -2.139  -2.109  -2.496
+ 1326TIP3   OH210286  -1.714  -2.464  -2.680
+ 1326TIP3    H110287  -1.657  -2.542  -2.674
+ 1326TIP3    H210288  -1.718  -2.450  -2.776
+ 1327TIP3   OH210289  -1.619  -2.276  -2.497
+ 1327TIP3    H110290  -1.651  -2.337  -2.566
+ 1327TIP3    H210291  -1.691  -2.211  -2.491
+ 1328TIP3   OH210292  -1.708  -0.574  -4.173
+ 1328TIP3    H110293  -1.613  -0.559  -4.161
+ 1328TIP3    H210294  -1.732  -0.512  -4.243
+ 1329TIP3   OH210295  -2.324  -1.168  -4.197
+ 1329TIP3    H110296  -2.234  -1.131  -4.197
+ 1329TIP3    H210297  -2.325  -1.222  -4.277
+ 1330TIP3   OH210298  -2.417  -0.618  -3.722
+ 1330TIP3    H110299  -2.492  -0.651  -3.775
+ 1330TIP3    H210300  -2.414  -0.683  -3.649
+ 1331TIP3   OH210301  -2.383  -0.814  -3.521
+ 1331TIP3    H110302  -2.413  -0.900  -3.489
+ 1331TIP3    H210303  -2.352  -0.776  -3.437
+ 1332TIP3   OH210304  -0.630  -0.685  -3.220
+ 1332TIP3    H110305  -0.615  -0.688  -3.124
+ 1332TIP3    H210306  -0.543  -0.658  -3.251
+ 1333TIP3   OH210307  -0.641  -0.742  -2.932
+ 1333TIP3    H110308  -0.692  -0.818  -2.967
+ 1333TIP3    H210309  -0.584  -0.788  -2.868
+ 1334TIP3   OH210310  -0.840  -1.198  -2.502
+ 1334TIP3    H110311  -0.928  -1.190  -2.462
+ 1334TIP3    H210312  -0.794  -1.118  -2.469
+ 1335TIP3   OH210313  -0.700  -1.315  -3.930
+ 1335TIP3    H110314  -0.610  -1.281  -3.916
+ 1335TIP3    H210315  -0.706  -1.379  -3.857
+ 1336TIP3   OH210316  -0.655  -1.514  -3.732
+ 1336TIP3    H110317  -0.722  -1.571  -3.688
+ 1336TIP3    H210318  -0.586  -1.502  -3.664
+ 1337TIP3   OH210319  -0.682  -1.263  -3.234
+ 1337TIP3    H110320  -0.619  -1.312  -3.290
+ 1337TIP3    H210321  -0.668  -1.172  -3.264
+ 1338TIP3   OH210322  -0.810  -0.971  -3.010
+ 1338TIP3    H110323  -0.883  -0.931  -2.959
+ 1338TIP3    H210324  -0.857  -1.008  -3.087
+ 1339TIP3   OH210325  -0.626  -1.548  -4.108
+ 1339TIP3    H110326  -0.690  -1.520  -4.175
+ 1339TIP3    H210327  -0.645  -1.483  -4.038
+ 1340TIP3   OH210328  -0.807  -1.810  -4.217
+ 1340TIP3    H110329  -0.774  -1.736  -4.271
+ 1340TIP3    H210330  -0.765  -1.885  -4.260
+ 1341TIP3   OH210331  -0.862  -1.700  -3.651
+ 1341TIP3    H110332  -0.870  -1.796  -3.666
+ 1341TIP3    H210333  -0.900  -1.691  -3.561
+ 1342TIP3   OH210334  -2.376  -1.480  -3.278
+ 1342TIP3    H110335  -2.351  -1.475  -3.372
+ 1342TIP3    H210336  -2.289  -1.503  -3.238
+ 1343TIP3   OH210337  -0.800  -1.507  -2.737
+ 1343TIP3    H110338  -0.727  -1.569  -2.718
+ 1343TIP3    H210339  -0.754  -1.424  -2.755
+ 1344TIP3   OH210340  -0.645  -1.696  -2.614
+ 1344TIP3    H110341  -0.724  -1.750  -2.635
+ 1344TIP3    H210342  -0.574  -1.763  -2.616
+ 1345TIP3   OH210343  -0.881  -2.134  -4.340
+ 1345TIP3    H110344  -0.823  -2.155  -4.266
+ 1345TIP3    H210345  -0.969  -2.163  -4.312
+ 1346TIP3   OH210346  -0.882  -1.946  -3.837
+ 1346TIP3    H110347  -0.856  -2.041  -3.829
+ 1346TIP3    H210348  -0.800  -1.909  -3.872
+ 1347TIP3   OH210349  -0.851  -1.889  -3.289
+ 1347TIP3    H110350  -0.753  -1.878  -3.291
+ 1347TIP3    H210351  -0.866  -1.887  -3.193
+ 1348TIP3   OH210352  -0.835  -1.820  -3.007
+ 1348TIP3    H110353  -0.920  -1.781  -2.980
+ 1348TIP3    H210354  -0.782  -1.740  -3.027
+ 1349TIP3   OH210355  -2.384  -1.941  -2.642
+ 1349TIP3    H110356  -2.291  -1.968  -2.633
+ 1349TIP3    H210357  -2.429  -2.028  -2.635
+ 1350TIP3   OH210358  -0.579  -2.405  -2.478
+ 1350TIP3    H110359  -0.536  -2.473  -2.533
+ 1350TIP3    H210360  -0.575  -2.327  -2.536
+ 1351TIP3   OH210361  -0.831  -2.220  -3.827
+ 1351TIP3    H110362  -0.818  -2.259  -3.740
+ 1351TIP3    H210363  -0.903  -2.276  -3.863
+ 1352TIP3   OH210364  -2.309  -2.109  -3.358
+ 1352TIP3    H110365  -2.264  -2.195  -3.352
+ 1352TIP3    H210366  -2.239  -2.049  -3.325
+ 1353TIP3   OH210367  -2.456  -1.837  -3.255
+ 1353TIP3    H110368  -2.396  -1.848  -3.330
+ 1353TIP3    H210369  -2.416  -1.760  -3.211
+ 1354TIP3   OH210370  -0.642  -2.200  -2.652
+ 1354TIP3    H110371  -0.729  -2.157  -2.649
+ 1354TIP3    H210372  -0.653  -2.254  -2.733
+ 1355TIP3   OH210373  -0.627  -2.180  -4.177
+ 1355TIP3    H110374  -0.605  -2.256  -4.233
+ 1355TIP3    H210375  -0.542  -2.134  -4.170
+ 1356TIP3   OH210376  -2.404  -2.204  -3.850
+ 1356TIP3    H110377  -2.498  -2.204  -3.872
+ 1356TIP3    H210378  -2.365  -2.148  -3.919
+ 1357TIP3   OH210379  -0.943  -0.683  -3.642
+ 1357TIP3    H110380  -0.892  -0.711  -3.720
+ 1357TIP3    H210381  -0.875  -0.645  -3.585
+ 1358TIP3   OH210382  -2.400  -2.319  -3.035
+ 1358TIP3    H110383  -2.469  -2.348  -2.973
+ 1358TIP3    H210384  -2.451  -2.270  -3.100
+ 1359TIP3   OH210385  -2.199  -1.016  -2.566
+ 1359TIP3    H110386  -2.272  -1.009  -2.629
+ 1359TIP3    H210387  -2.243  -1.011  -2.480
+ 1360TIP3   OH210388  -1.918  -0.914  -3.001
+ 1360TIP3    H110389  -1.947  -0.827  -3.034
+ 1360TIP3    H210390  -1.821  -0.904  -3.017
+ 1361TIP3   OH210391  -1.465  -0.783  -2.699
+ 1361TIP3    H110392  -1.453  -0.798  -2.604
+ 1361TIP3    H210393  -1.383  -0.737  -2.723
+ 1362TIP3   OH210394  -1.236  -0.636  -2.774
+ 1362TIP3    H110395  -1.168  -0.702  -2.795
+ 1362TIP3    H210396  -1.207  -0.605  -2.687
+ 1363TIP3   OH210397  -0.754  -2.376  -2.855
+ 1363TIP3    H110398  -0.834  -2.356  -2.906
+ 1363TIP3    H210399  -0.732  -2.466  -2.888
+ 1364TIP3   OH210400  -2.182  -0.619  -2.967
+ 1364TIP3    H110401  -2.242  -0.554  -3.009
+ 1364TIP3    H210402  -2.209  -0.610  -2.875
+ 1365TIP3   OH210403  -1.931  -0.640  -3.112
+ 1365TIP3    H110404  -2.016  -0.621  -3.067
+ 1365TIP3    H210405  -1.927  -0.570  -3.179
+ 1366TIP3   OH210406  -1.456  -0.640  -3.156
+ 1366TIP3    H110407  -1.494  -0.594  -3.232
+ 1366TIP3    H210408  -1.448  -0.567  -3.091
+ 1367TIP3   OH210409  -1.222  -0.769  -3.065
+ 1367TIP3    H110410  -1.307  -0.732  -3.096
+ 1367TIP3    H210411  -1.166  -0.689  -3.063
+ 1368TIP3   OH210412  -0.969  -0.595  -3.044
+ 1368TIP3    H110413  -0.974  -0.500  -3.065
+ 1368TIP3    H210414  -0.941  -0.631  -3.130
+ 1369TIP3   OH210415  -2.221  -0.738  -3.273
+ 1369TIP3    H110416  -2.223  -0.784  -3.186
+ 1369TIP3    H210417  -2.144  -0.781  -3.315
+ 1370TIP3   OH210418  -2.019  -0.862  -3.430
+ 1370TIP3    H110419  -2.035  -0.955  -3.401
+ 1370TIP3    H210420  -1.928  -0.847  -3.396
+ 1371TIP3   OH210421  -1.744  -0.816  -3.340
+ 1371TIP3    H110422  -1.725  -0.910  -3.360
+ 1371TIP3    H210423  -1.737  -0.818  -3.243
+ 1372TIP3   OH210424  -1.411  -2.227  -3.409
+ 1372TIP3    H110425  -1.480  -2.294  -3.394
+ 1372TIP3    H210426  -1.352  -2.273  -3.470
+ 1373TIP3   OH210427  -0.916  -2.425  -3.362
+ 1373TIP3    H110428  -0.841  -2.380  -3.405
+ 1373TIP3    H210429  -0.991  -2.395  -3.417
+ 1374TIP3   OH210430  -0.707  -2.315  -3.575
+ 1374TIP3    H110431  -0.637  -2.355  -3.628
+ 1374TIP3    H210432  -0.677  -2.223  -3.567
+ 1375TIP3   OH210433  -2.176  -2.355  -3.652
+ 1375TIP3    H110434  -2.262  -2.369  -3.697
+ 1375TIP3    H210435  -2.133  -2.441  -3.668
+ 1376TIP3   OH210436  -2.304  -2.398  -4.084
+ 1376TIP3    H110437  -2.236  -2.339  -4.126
+ 1376TIP3    H210438  -2.328  -2.346  -4.006
+ 1377TIP3   OH210439  -1.729  -2.371  -3.665
+ 1377TIP3    H110440  -1.637  -2.343  -3.679
+ 1377TIP3    H210441  -1.731  -2.382  -3.570
+ 1378TIP3   OH210442  -1.167  -2.369  -3.523
+ 1378TIP3    H110443  -1.145  -2.383  -3.617
+ 1378TIP3    H210444  -1.208  -2.454  -3.500
+ 1379TIP3   OH210445  -1.066  -2.365  -3.914
+ 1379TIP3    H110446  -1.145  -2.319  -3.948
+ 1379TIP3    H210447  -1.092  -2.458  -3.928
+ 1380TIP3   OH210448  -2.288  -0.810  -3.967
+ 1380TIP3    H110449  -2.361  -0.811  -4.031
+ 1380TIP3    H210450  -2.289  -0.717  -3.940
+ 1381TIP3   OH210451  -2.129  -2.225  -4.223
+ 1381TIP3    H110452  -2.080  -2.284  -4.281
+ 1381TIP3    H210453  -2.057  -2.181  -4.174
+ 1382TIP3   OH210454  -1.616  -2.207  -3.959
+ 1382TIP3    H110455  -1.578  -2.263  -3.889
+ 1382TIP3    H210456  -1.592  -2.120  -3.926
+ 1383TIP3   OH210457  -1.412  -0.646  -4.146
+ 1383TIP3    H110458  -1.315  -0.634  -4.149
+ 1383TIP3    H210459  -1.423  -0.707  -4.221
+ 1384TIP3   OH210460  -0.748  -0.727  -3.885
+ 1384TIP3    H110461  -0.779  -0.811  -3.926
+ 1384TIP3    H210462  -0.772  -0.661  -3.953
+ 1385TIP3   OH210463  -2.193  -2.332  -2.703
+ 1385TIP3    H110464  -2.237  -2.411  -2.665
+ 1385TIP3    H210465  -2.102  -2.345  -2.671
+ 1386TIP3   OH210466  -1.958  -2.393  -2.527
+ 1386TIP3    H110467  -1.876  -2.430  -2.567
+ 1386TIP3    H210468  -1.993  -2.472  -2.483
+ 1387TIP3   OH210469  -2.088  -0.702  -4.232
+ 1387TIP3    H110470  -2.130  -0.679  -4.149
+ 1387TIP3    H210471  -2.025  -0.771  -4.207
+ 1388TIP3   OH210472  -1.146  -2.484  -2.509
+ 1388TIP3    H110473  -1.143  -2.524  -2.420
+ 1388TIP3    H210474  -1.052  -2.487  -2.534
+ 1389TIP3   OH210475  -0.808  -0.849  -2.640
+ 1389TIP3    H110476  -0.882  -0.868  -2.700
+ 1389TIP3    H210477  -0.826  -0.755  -2.619
+ 1390TIP3   OH210478   0.611  -1.482  -3.627
+ 1390TIP3    H110479   0.609  -1.385  -3.617
+ 1390TIP3    H210480   0.536  -1.496  -3.688
+ 1391TIP3   OH210481   0.496  -1.536  -3.319
+ 1391TIP3    H110482   0.495  -1.593  -3.241
+ 1391TIP3    H210483   0.470  -1.598  -3.389
+ 1392TIP3   OH210484  -0.256  -1.577  -3.152
+ 1392TIP3    H110485  -0.258  -1.652  -3.089
+ 1392TIP3    H210486  -0.185  -1.523  -3.114
+ 1393TIP3   OH210487   0.866  -1.262  -3.488
+ 1393TIP3    H110488   0.827  -1.334  -3.436
+ 1393TIP3    H210489   0.892  -1.201  -3.418
+ 1394TIP3   OH210490  -0.191  -1.114  -3.305
+ 1394TIP3    H110491  -0.214  -1.206  -3.329
+ 1394TIP3    H210492  -0.099  -1.127  -3.279
+ 1395TIP3   OH210493  -0.490  -1.774  -3.764
+ 1395TIP3    H110494  -0.531  -1.687  -3.752
+ 1395TIP3    H210495  -0.562  -1.824  -3.807
+ 1396TIP3   OH210496  -0.411  -1.529  -3.579
+ 1396TIP3    H110497  -0.396  -1.612  -3.530
+ 1396TIP3    H210498  -0.326  -1.518  -3.625
+ 1397TIP3   OH210499   0.571  -0.726  -3.432
+ 1397TIP3    H110500   0.629  -0.799  -3.463
+ 1397TIP3    H210501   0.543  -0.759  -3.346
+ 1398TIP3   OH210502   0.345  -1.286  -3.264
+ 1398TIP3    H110503   0.377  -1.358  -3.320
+ 1398TIP3    H210504   0.426  -1.270  -3.211
+ 1399TIP3   OH210505   1.207  -2.133  -3.205
+ 1399TIP3    H110506   1.227  -2.082  -3.124
+ 1399TIP3    H210507   1.275  -2.099  -3.266
+ 1400TIP3   OH210508   0.675  -1.852  -3.213
+ 1400TIP3    H110509   0.688  -1.948  -3.206
+ 1400TIP3    H210510   0.665  -1.841  -3.309
+ 1401TIP3   OH210511  -0.028  -2.052  -3.505
+ 1401TIP3    H110512  -0.013  -1.966  -3.549
+ 1401TIP3    H210513  -0.064  -2.103  -3.580
+ 1402TIP3   OH210514   0.754  -2.036  -3.672
+ 1402TIP3    H110515   0.815  -2.079  -3.608
+ 1402TIP3    H210516   0.817  -1.991  -3.731
+ 1403TIP3   OH210517  -0.359  -1.779  -3.454
+ 1403TIP3    H110518  -0.296  -1.825  -3.397
+ 1403TIP3    H210519  -0.350  -1.828  -3.537
+ 1404TIP3   OH210520   0.178  -1.639  -3.508
+ 1404TIP3    H110521   0.250  -1.694  -3.469
+ 1404TIP3    H210522   0.129  -1.706  -3.559
+ 1405TIP3   OH210523   1.255  -2.025  -2.957
+ 1405TIP3    H110524   1.216  -1.936  -2.968
+ 1405TIP3    H210525   1.294  -2.020  -2.869
+ 1406TIP3   OH210526  -0.149  -2.174  -3.089
+ 1406TIP3    H110527  -0.188  -2.122  -3.161
+ 1406TIP3    H210528  -0.214  -2.158  -3.018
+ 1407TIP3   OH210529   0.603  -1.195  -3.750
+ 1407TIP3    H110530   0.570  -1.222  -3.836
+ 1407TIP3    H210531   0.555  -1.112  -3.733
+ 1408TIP3   OH210532   0.145  -1.384  -3.077
+ 1408TIP3    H110533   0.071  -1.324  -3.052
+ 1408TIP3    H210534   0.207  -1.322  -3.119
+ 1409TIP3   OH210535   0.945  -2.112  -3.469
+ 1409TIP3    H110536   0.899  -2.168  -3.405
+ 1409TIP3    H210537   0.991  -2.050  -3.410
+ 1410TIP3   OH210538  -0.188  -1.968  -3.295
+ 1410TIP3    H110539  -0.124  -1.911  -3.248
+ 1410TIP3    H210540  -0.131  -2.004  -3.365
+ 1411TIP3   OH210541  -0.057  -1.195  -3.007
+ 1411TIP3    H110542  -0.059  -1.101  -3.030
+ 1411TIP3    H210543  -0.142  -1.204  -2.960
+ 1412TIP3   OH210544  -0.426  -1.226  -3.919
+ 1412TIP3    H110545  -0.446  -1.179  -4.003
+ 1412TIP3    H210546  -0.409  -1.153  -3.856
+ 1413TIP3   OH210547   0.921  -1.082  -3.238
+ 1413TIP3    H110548   0.824  -1.071  -3.235
+ 1413TIP3    H210549   0.948  -0.996  -3.275
+ 1414TIP3   OH210550   0.951  -2.198  -3.087
+ 1414TIP3    H110551   0.876  -2.156  -3.132
+ 1414TIP3    H210552   1.026  -2.175  -3.146
+ 1415TIP3   OH210553   0.265  -2.422  -3.382
+ 1415TIP3    H110554   0.244  -2.517  -3.385
+ 1415TIP3    H210555   0.184  -2.385  -3.343
+ 1416TIP3   OH210556   0.750  -0.888  -3.581
+ 1416TIP3    H110557   0.797  -0.967  -3.613
+ 1416TIP3    H210558   0.818  -0.819  -3.593
+ 1417TIP3   OH210559   0.895  -1.100  -3.720
+ 1417TIP3    H110560   0.845  -1.148  -3.788
+ 1417TIP3    H210561   0.891  -1.164  -3.646
+ 1418TIP3   OH210562   1.050  -1.222  -2.871
+ 1418TIP3    H110563   1.039  -1.285  -2.945
+ 1418TIP3    H210564   1.061  -1.137  -2.918
+ 1419TIP3   OH210565   0.481  -1.525  -3.901
+ 1419TIP3    H110566   0.413  -1.471  -3.945
+ 1419TIP3    H210567   0.550  -1.530  -3.970
+ 1420TIP3   OH210568   0.526  -1.758  -4.155
+ 1420TIP3    H110569   0.591  -1.688  -4.137
+ 1420TIP3    H210570   0.521  -1.751  -4.252
+ 1421TIP3   OH210571   1.228  -1.601  -3.078
+ 1421TIP3    H110572   1.155  -1.536  -3.069
+ 1421TIP3    H210573   1.276  -1.565  -3.155
+ 1422TIP3   OH210574   0.830  -1.526  -3.793
+ 1422TIP3    H110575   0.758  -1.507  -3.728
+ 1422TIP3    H210576   0.884  -1.588  -3.742
+ 1423TIP3   OH210577   0.812  -1.673  -2.909
+ 1423TIP3    H110578   0.814  -1.590  -2.858
+ 1423TIP3    H210579   0.746  -1.647  -2.976
+ 1424TIP3   OH210580  -0.014  -1.452  -3.616
+ 1424TIP3    H110581  -0.044  -1.496  -3.698
+ 1424TIP3    H210582   0.052  -1.516  -3.582
+ 1425TIP3   OH210583   0.124  -1.110  -3.343
+ 1425TIP3    H110584   0.113  -1.152  -3.430
+ 1425TIP3    H210585   0.203  -1.157  -3.309
+ 1426TIP3   OH210586   0.045  -1.570  -3.267
+ 1426TIP3    H110587   0.103  -1.568  -3.345
+ 1426TIP3    H210588   0.086  -1.504  -3.208
+ 1427TIP3   OH210589   0.642  -1.020  -3.209
+ 1427TIP3    H110590   0.642  -0.952  -3.139
+ 1427TIP3    H210591   0.617  -1.102  -3.162
+ 1428TIP3   OH210592   0.130  -1.133  -2.781
+ 1428TIP3    H110593   0.078  -1.064  -2.734
+ 1428TIP3    H210594   0.067  -1.160  -2.850
+ 1429TIP3   OH210595   0.733  -1.578  -4.056
+ 1429TIP3    H110596   0.780  -1.555  -3.974
+ 1429TIP3    H210597   0.791  -1.539  -4.124
+ 1430TIP3   OH210598  -0.180  -1.487  -2.872
+ 1430TIP3    H110599  -0.171  -1.444  -2.785
+ 1430TIP3    H210600  -0.275  -1.510  -2.874
+ 1431TIP3   OH210601   0.468  -0.923  -3.696
+ 1431TIP3    H110602   0.517  -0.898  -3.617
+ 1431TIP3    H210603   0.420  -0.841  -3.718
+ 1432TIP3   OH210604  -0.049  -0.927  -2.688
+ 1432TIP3    H110605  -0.062  -0.904  -2.781
+ 1432TIP3    H210606  -0.139  -0.938  -2.654
+ 1433TIP3   OH210607   1.079  -2.409  -4.058
+ 1433TIP3    H110608   0.983  -2.399  -4.043
+ 1433TIP3    H210609   1.101  -2.324  -4.098
+ 1434TIP3   OH210610  -0.122  -1.577  -3.860
+ 1434TIP3    H110611  -0.143  -1.503  -3.920
+ 1434TIP3    H210612  -0.187  -1.643  -3.888
+ 1435TIP3   OH210613   1.180  -0.984  -4.252
+ 1435TIP3    H110614   1.213  -0.905  -4.205
+ 1435TIP3    H210615   1.253  -1.047  -4.242
+ 1436TIP3   OH210616  -0.515  -1.311  -2.990
+ 1436TIP3    H110617  -0.559  -1.312  -3.077
+ 1436TIP3    H210618  -0.501  -1.406  -2.973
+ 1437TIP3   OH210619  -0.509  -1.016  -3.298
+ 1437TIP3    H110620  -0.417  -1.047  -3.292
+ 1437TIP3    H210621  -0.514  -0.958  -3.220
+ 1438TIP3   OH210622   1.327  -0.957  -2.719
+ 1438TIP3    H110623   1.317  -1.052  -2.737
+ 1438TIP3    H210624   1.236  -0.934  -2.690
+ 1439TIP3   OH210625   0.393  -1.026  -2.839
+ 1439TIP3    H110626   0.401  -0.951  -2.777
+ 1439TIP3    H210627   0.304  -1.059  -2.816
+ 1440TIP3   OH210628   0.421  -0.653  -3.847
+ 1440TIP3    H110629   0.425  -0.643  -3.944
+ 1440TIP3    H210630   0.430  -0.562  -3.815
+ 1441TIP3   OH210631  -0.199  -0.739  -3.680
+ 1441TIP3    H110632  -0.179  -0.783  -3.594
+ 1441TIP3    H210633  -0.283  -0.782  -3.702
+ 1442TIP3   OH210634   0.747  -0.691  -4.135
+ 1442TIP3    H110635   0.791  -0.749  -4.201
+ 1442TIP3    H210636   0.750  -0.746  -4.055
+ 1443TIP3   OH210637   0.696  -0.764  -3.860
+ 1443TIP3    H110638   0.602  -0.751  -3.839
+ 1443TIP3    H210639   0.719  -0.835  -3.798
+ 1444TIP3   OH210640   1.006  -1.821  -2.678
+ 1444TIP3    H110641   0.959  -1.782  -2.753
+ 1444TIP3    H210642   1.007  -1.916  -2.704
+ 1445TIP3   OH210643  -0.298  -1.158  -2.857
+ 1445TIP3    H110644  -0.264  -1.210  -2.782
+ 1445TIP3    H210645  -0.367  -1.215  -2.896
+ 1446TIP3   OH210646   0.024  -2.310  -3.289
+ 1446TIP3    H110647  -0.059  -2.315  -3.340
+ 1446TIP3    H210648   0.003  -2.235  -3.230
+ 1447TIP3   OH210649   0.461  -2.352  -2.925
+ 1447TIP3    H110650   0.514  -2.403  -2.861
+ 1447TIP3    H210651   0.370  -2.386  -2.911
+ 1448TIP3   OH210652   0.771  -1.969  -2.878
+ 1448TIP3    H110653   0.716  -1.987  -2.799
+ 1448TIP3    H210654   0.769  -1.872  -2.886
+ 1449TIP3   OH210655   0.961  -1.503  -4.261
+ 1449TIP3    H110656   0.901  -1.515  -4.337
+ 1449TIP3    H210657   0.992  -1.413  -4.277
+ 1450TIP3   OH210658   0.447  -2.121  -4.217
+ 1450TIP3    H110659   0.390  -2.100  -4.142
+ 1450TIP3    H210660   0.394  -2.185  -4.265
+ 1451TIP3   OH210661   0.008  -1.830  -3.150
+ 1451TIP3    H110662  -0.044  -1.817  -3.069
+ 1451TIP3    H210663   0.017  -1.739  -3.184
+ 1452TIP3   OH210664   0.004  -1.822  -3.660
+ 1452TIP3    H110665  -0.091  -1.832  -3.677
+ 1452TIP3    H210666   0.040  -1.841  -3.750
+ 1453TIP3   OH210667   0.572  -1.767  -3.786
+ 1453TIP3    H110668   0.531  -1.686  -3.821
+ 1453TIP3    H210669   0.632  -1.791  -3.859
+ 1454TIP3   OH210670   0.486  -1.750  -2.652
+ 1454TIP3    H110671   0.432  -1.822  -2.614
+ 1454TIP3    H210672   0.572  -1.763  -2.608
+ 1455TIP3   OH210673   0.650  -1.827  -3.506
+ 1455TIP3    H110674   0.622  -1.769  -3.581
+ 1455TIP3    H210675   0.671  -1.908  -3.556
+ 1456TIP3   OH210676  -0.261  -1.811  -2.962
+ 1456TIP3    H110677  -0.223  -1.785  -2.878
+ 1456TIP3    H210678  -0.291  -1.902  -2.943
+ 1457TIP3   OH210679   0.112  -2.081  -4.317
+ 1457TIP3    H110680   0.081  -2.100  -4.226
+ 1457TIP3    H210681   0.040  -2.023  -4.349
+ 1458TIP3   OH210682  -0.572  -2.066  -3.600
+ 1458TIP3    H110683  -0.510  -2.069  -3.525
+ 1458TIP3    H210684  -0.521  -2.105  -3.673
+ 1459TIP3   OH210685  -0.414  -2.024  -4.038
+ 1459TIP3    H110686  -0.358  -1.975  -4.102
+ 1459TIP3    H210687  -0.481  -1.957  -4.017
+ 1460TIP3   OH210688   0.561  -1.658  -3.057
+ 1460TIP3    H110689   0.604  -1.731  -3.108
+ 1460TIP3    H210690   0.527  -1.707  -2.980
+ 1461TIP3   OH210691   0.281  -2.065  -3.557
+ 1461TIP3    H110692   0.186  -2.067  -3.534
+ 1461TIP3    H210693   0.322  -2.082  -3.471
+ 1462TIP3   OH210694  -0.263  -1.941  -3.689
+ 1462TIP3    H110695  -0.344  -1.914  -3.736
+ 1462TIP3    H210696  -0.233  -2.020  -3.739
+ 1463TIP3   OH210697   0.098  -1.899  -3.921
+ 1463TIP3    H110698   0.196  -1.898  -3.917
+ 1463TIP3    H210699   0.079  -1.843  -3.999
+ 1464TIP3   OH210700   0.719  -2.148  -3.257
+ 1464TIP3    H110701   0.657  -2.148  -3.181
+ 1464TIP3    H210702   0.660  -2.182  -3.327
+ 1465TIP3   OH210703  -0.048  -1.786  -4.159
+ 1465TIP3    H110704  -0.103  -1.840  -4.217
+ 1465TIP3    H210705   0.032  -1.769  -4.212
+ 1466TIP3   OH210706   1.023  -0.568  -2.584
+ 1466TIP3    H110707   1.040  -0.527  -2.671
+ 1466TIP3    H210708   1.100  -0.536  -2.533
+ 1467TIP3   OH210709  -0.172  -1.306  -2.626
+ 1467TIP3    H110710  -0.109  -1.288  -2.554
+ 1467TIP3    H210711  -0.255  -1.312  -2.576
+ 1468TIP3   OH210712   0.382  -1.809  -3.375
+ 1468TIP3    H110713   0.456  -1.851  -3.421
+ 1468TIP3    H210714   0.367  -1.870  -3.300
+ 1469TIP3   OH210715  -0.087  -2.166  -3.762
+ 1469TIP3    H110716  -0.140  -2.246  -3.747
+ 1469TIP3    H210717  -0.004  -2.203  -3.796
+ 1470TIP3   OH210718   0.279  -1.963  -3.150
+ 1470TIP3    H110719   0.202  -1.904  -3.148
+ 1470TIP3    H210720   0.328  -1.938  -3.070
+ 1471TIP3   OH210721   0.290  -1.319  -3.962
+ 1471TIP3    H110722   0.216  -1.374  -3.996
+ 1471TIP3    H210723   0.275  -1.320  -3.864
+ 1472TIP3   OH210724   1.017  -1.408  -3.086
+ 1472TIP3    H110725   1.065  -1.355  -3.152
+ 1472TIP3    H210726   0.931  -1.421  -3.131
+ 1473TIP3   OH210727   0.707  -2.056  -4.175
+ 1473TIP3    H110728   0.610  -2.051  -4.189
+ 1473TIP3    H210729   0.727  -1.967  -4.138
+ 1474TIP3   OH210730   0.453  -1.323  -2.824
+ 1474TIP3    H110731   0.422  -1.355  -2.738
+ 1474TIP3    H210732   0.422  -1.232  -2.823
+ 1475TIP3   OH210733   0.771  -1.862  -3.978
+ 1475TIP3    H110734   0.863  -1.874  -3.947
+ 1475TIP3    H210735   0.777  -1.781  -4.032
+ 1476TIP3   OH210736  -0.193  -1.385  -3.379
+ 1476TIP3    H110737  -0.136  -1.396  -3.457
+ 1476TIP3    H210738  -0.181  -1.470  -3.334
+ 1477TIP3   OH210739   0.538  -1.189  -4.069
+ 1477TIP3    H110740   0.508  -1.102  -4.036
+ 1477TIP3    H210741   0.463  -1.246  -4.042
+ 1478TIP3   OH210742  -0.467  -1.557  -2.850
+ 1478TIP3    H110743  -0.451  -1.602  -2.764
+ 1478TIP3    H210744  -0.526  -1.619  -2.895
+ 1479TIP3   OH210745   0.230  -1.609  -2.653
+ 1479TIP3    H110746   0.202  -1.632  -2.743
+ 1479TIP3    H210747   0.325  -1.630  -2.658
+ 1480TIP3   OH210748   0.685  -1.062  -2.875
+ 1480TIP3    H110749   0.588  -1.053  -2.884
+ 1480TIP3    H210750   0.697  -1.038  -2.781
+ 1481TIP3   OH210751   1.244  -1.852  -3.999
+ 1481TIP3    H110752   1.181  -1.870  -4.071
+ 1481TIP3    H210753   1.255  -1.757  -4.016
+ 1482TIP3   OH210754   1.282  -1.251  -2.722
+ 1482TIP3    H110755   1.188  -1.235  -2.743
+ 1482TIP3    H210756   1.317  -1.274  -2.810
+ 1483TIP3   OH210757   1.068  -0.996  -3.990
+ 1483TIP3    H110758   1.033  -1.071  -3.940
+ 1483TIP3    H210759   1.096  -1.037  -4.073
+ 1484TIP3   OH210760   0.782  -1.465  -3.256
+ 1484TIP3    H110761   0.688  -1.480  -3.280
+ 1484TIP3    H210762   0.825  -1.537  -3.306
+ 1485TIP3   OH210763   0.045  -1.058  -3.654
+ 1485TIP3    H110764   0.088  -0.971  -3.665
+ 1485TIP3    H210765  -0.047  -1.037  -3.675
+ 1486TIP3   OH210766  -0.348  -1.565  -4.201
+ 1486TIP3    H110767  -0.292  -1.502  -4.153
+ 1486TIP3    H210768  -0.437  -1.545  -4.166
+ 1487TIP3   OH210769   0.229  -1.287  -3.688
+ 1487TIP3    H110770   0.197  -1.196  -3.676
+ 1487TIP3    H210771   0.158  -1.338  -3.646
+ 1488TIP3   OH210772   0.244  -0.862  -3.056
+ 1488TIP3    H110773   0.301  -0.787  -3.082
+ 1488TIP3    H210774   0.304  -0.912  -2.998
+ 1489TIP3   OH210775   0.089  -0.766  -3.736
+ 1489TIP3    H110776  -0.006  -0.753  -3.724
+ 1489TIP3    H210777   0.125  -0.680  -3.707
+ 1490TIP3   OH210778   0.586  -1.286  -3.097
+ 1490TIP3    H110779   0.556  -1.314  -3.009
+ 1490TIP3    H210780   0.658  -1.347  -3.115
+ 1491TIP3   OH210781   0.807  -1.154  -4.192
+ 1491TIP3    H110782   0.849  -1.204  -4.120
+ 1491TIP3    H210783   0.714  -1.166  -4.168
+ 1492TIP3   OH210784   0.881  -0.828  -2.858
+ 1492TIP3    H110785   0.805  -0.875  -2.896
+ 1492TIP3    H210786   0.887  -0.749  -2.914
+ 1493TIP3   OH210787   1.292  -0.713  -4.159
+ 1493TIP3    H110788   1.361  -0.645  -4.145
+ 1493TIP3    H210789   1.212  -0.662  -4.136
+ 1494TIP3   OH210790  -0.335  -2.093  -2.892
+ 1494TIP3    H110791  -0.426  -2.067  -2.915
+ 1494TIP3    H210792  -0.350  -2.179  -2.849
+ 1495TIP3   OH210793   0.901  -1.295  -3.968
+ 1495TIP3    H110794   0.872  -1.367  -3.908
+ 1495TIP3    H210795   0.998  -1.301  -3.958
+ 1496TIP3   OH210796  -0.358  -0.919  -3.050
+ 1496TIP3    H110797  -0.328  -1.009  -3.033
+ 1496TIP3    H210798  -0.336  -0.877  -2.966
+ 1497TIP3   OH210799   0.253  -1.053  -4.324
+ 1497TIP3    H110800   0.295  -1.135  -4.359
+ 1497TIP3    H210801   0.197  -1.089  -4.254
+ 1498TIP3   OH210802   0.100  -1.100  -4.069
+ 1498TIP3    H110803   0.159  -1.155  -4.016
+ 1498TIP3    H210804   0.129  -1.009  -4.047
+ 1499TIP3   OH210805  -0.210  -1.363  -4.040
+ 1499TIP3    H110806  -0.281  -1.320  -3.988
+ 1499TIP3    H210807  -0.157  -1.286  -4.065
+ 1500TIP3   OH210808   0.562  -2.110  -3.037
+ 1500TIP3    H110809   0.623  -2.080  -2.968
+ 1500TIP3    H210810   0.514  -2.183  -2.994
+ 1501TIP3   OH210811   0.621  -2.157  -3.919
+ 1501TIP3    H110812   0.645  -2.110  -4.001
+ 1501TIP3    H210813   0.672  -2.108  -3.853
+ 1502TIP3   OH210814   0.402  -0.940  -4.027
+ 1502TIP3    H110815   0.325  -0.887  -4.002
+ 1502TIP3    H210816   0.454  -0.876  -4.077
+ 1503TIP3   OH210817   0.364  -1.964  -3.815
+ 1503TIP3    H110818   0.443  -1.908  -3.806
+ 1503TIP3    H210819   0.338  -1.979  -3.722
+ 1504TIP3   OH210820   0.403  -1.875  -2.901
+ 1504TIP3    H110821   0.407  -1.823  -2.819
+ 1504TIP3    H210822   0.457  -1.952  -2.877
+ 1505TIP3   OH210823   0.429  -2.261  -3.725
+ 1505TIP3    H110824   0.409  -2.192  -3.659
+ 1505TIP3    H210825   0.501  -2.218  -3.776
+ 1506TIP3   OH210826   0.120  -0.820  -4.025
+ 1506TIP3    H110827   0.127  -0.733  -4.071
+ 1506TIP3    H210828   0.110  -0.793  -3.932
+ 1507TIP3   OH210829   0.000  -2.154  -4.078
+ 1507TIP3    H110830  -0.006  -2.083  -4.013
+ 1507TIP3    H210831   0.077  -2.204  -4.043
+ 1508TIP3   OH210832   1.020  -2.073  -2.799
+ 1508TIP3    H110833   0.928  -2.064  -2.832
+ 1508TIP3    H210834   1.065  -2.092  -2.883
+ 1509TIP3   OH210835   0.882  -1.689  -3.409
+ 1509TIP3    H110836   0.799  -1.734  -3.435
+ 1509TIP3    H210837   0.930  -1.760  -3.361
+ 1510TIP3   OH210838  -0.167  -1.064  -4.159
+ 1510TIP3    H110839  -0.085  -1.038  -4.113
+ 1510TIP3    H210840  -0.127  -1.119  -4.229
+ 1511TIP3   OH210841  -0.343  -1.848  -4.254
+ 1511TIP3    H110842  -0.327  -1.753  -4.239
+ 1511TIP3    H210843  -0.434  -1.849  -4.288
+ 1512TIP3   OH210844   0.984  -0.804  -3.271
+ 1512TIP3    H110845   0.967  -0.721  -3.320
+ 1512TIP3    H210846   1.076  -0.789  -3.244
+ 1513TIP3   OH210847  -0.254  -2.353  -3.371
+ 1513TIP3    H110848  -0.273  -2.354  -3.467
+ 1513TIP3    H210849  -0.290  -2.438  -3.341
+ 1514TIP3   OH210850  -0.368  -1.001  -3.747
+ 1514TIP3    H110851  -0.446  -0.948  -3.725
+ 1514TIP3    H210852  -0.327  -0.950  -3.818
+ 1515TIP3   OH210853  -0.425  -0.716  -2.628
+ 1515TIP3    H110854  -0.368  -0.751  -2.559
+ 1515TIP3    H210855  -0.466  -0.799  -2.660
+ 1516TIP3   OH210856   0.465  -0.871  -4.332
+ 1516TIP3    H110857   0.386  -0.928  -4.325
+ 1516TIP3    H210858   0.532  -0.939  -4.350
+ 1517TIP3   OH210859   0.688  -0.979  -2.597
+ 1517TIP3    H110860   0.637  -1.047  -2.549
+ 1517TIP3    H210861   0.746  -0.946  -2.526
+ 1518TIP3   OH210862   0.852  -0.895  -4.288
+ 1518TIP3    H110863   0.869  -0.980  -4.246
+ 1518TIP3    H210864   0.939  -0.864  -4.317
+ 1519TIP3   OH210865  -0.426  -1.342  -2.515
+ 1519TIP3    H110866  -0.418  -1.435  -2.541
+ 1519TIP3    H210867  -0.505  -1.316  -2.566
+ 1520TIP3   OH210868  -0.004  -1.287  -4.306
+ 1520TIP3    H110869   0.005  -1.362  -4.246
+ 1520TIP3    H210870   0.057  -1.311  -4.377
+ 1521TIP3   OH210871   0.246  -1.320  -2.579
+ 1521TIP3    H110872   0.189  -1.294  -2.652
+ 1521TIP3    H210873   0.235  -1.417  -2.578
+ 1522TIP3   OH210874   0.533  -1.183  -4.346
+ 1522TIP3    H110875   0.539  -1.184  -4.249
+ 1522TIP3    H210876   0.589  -1.257  -4.373
+ 1523TIP3   OH210877   0.770  -1.368  -2.843
+ 1523TIP3    H110878   0.847  -1.313  -2.862
+ 1523TIP3    H210879   0.699  -1.302  -2.842
+ 1524TIP3   OH210880  -0.343  -1.630  -2.596
+ 1524TIP3    H110881  -0.272  -1.697  -2.597
+ 1524TIP3    H210882  -0.347  -1.613  -2.501
+ 1525TIP3   OH210883   0.098  -1.500  -4.089
+ 1525TIP3    H110884   0.039  -1.549  -4.030
+ 1525TIP3    H210885   0.135  -1.571  -4.143
+ 1526TIP3   OH210886   0.017  -1.724  -2.863
+ 1526TIP3    H110887  -0.027  -1.644  -2.830
+ 1526TIP3    H210888   0.088  -1.686  -2.918
+ 1527TIP3   OH210889   0.196  -1.702  -4.267
+ 1527TIP3    H110890   0.203  -1.712  -4.363
+ 1527TIP3    H210891   0.292  -1.689  -4.252
+ 1528TIP3   OH210892   0.541  -1.467  -2.506
+ 1528TIP3    H110893   0.631  -1.478  -2.539
+ 1528TIP3    H210894   0.525  -1.549  -2.458
+ 1529TIP3   OH210895   0.081  -1.993  -2.743
+ 1529TIP3    H110896   0.089  -2.059  -2.814
+ 1529TIP3    H210897   0.060  -1.913  -2.793
+ 1530TIP3   OH210898   0.114  -2.147  -2.998
+ 1530TIP3    H110899   0.167  -2.094  -3.061
+ 1530TIP3    H210900   0.024  -2.142  -3.034
+ 1531TIP3   OH210901   0.267  -1.603  -2.957
+ 1531TIP3    H110902   0.351  -1.612  -3.003
+ 1531TIP3    H210903   0.238  -1.515  -2.986
+ 1532TIP3   OH210904   0.732  -1.806  -2.469
+ 1532TIP3    H110905   0.749  -1.901  -2.468
+ 1532TIP3    H210906   0.820  -1.771  -2.489
+ 1533TIP3   OH210907   0.824  -1.528  -2.624
+ 1533TIP3    H110908   0.791  -1.468  -2.694
+ 1533TIP3    H210909   0.914  -1.546  -2.659
+ 1534TIP3   OH210910  -0.101  -1.806  -2.567
+ 1534TIP3    H110911  -0.153  -1.888  -2.560
+ 1534TIP3    H210912  -0.018  -1.837  -2.605
+ 1535TIP3   OH210913   0.185  -2.414  -2.961
+ 1535TIP3    H110914   0.170  -2.319  -2.977
+ 1535TIP3    H210915   0.116  -2.455  -3.015
+ 1536TIP3   OH210916   0.312  -1.957  -2.581
+ 1536TIP3    H110917   0.276  -1.979  -2.493
+ 1536TIP3    H210918   0.233  -1.975  -2.636
+ 1537TIP3   OH210919   0.567  -2.053  -2.695
+ 1537TIP3    H110920   0.479  -2.049  -2.654
+ 1537TIP3    H210921   0.613  -2.116  -2.638
+ 1538TIP3   OH210922   0.746  -2.202  -2.524
+ 1538TIP3    H110923   0.737  -2.298  -2.509
+ 1538TIP3    H210924   0.734  -2.164  -2.435
+ 1539TIP3   OH210925  -0.233  -2.063  -2.577
+ 1539TIP3    H110926  -0.239  -2.133  -2.643
+ 1539TIP3    H210927  -0.254  -2.111  -2.495
+ 1540TIP3   OH210928   0.169  -2.466  -2.680
+ 1540TIP3    H110929   0.231  -2.541  -2.674
+ 1540TIP3    H210930   0.168  -2.450  -2.776
+ 1541TIP3   OH210931   0.264  -2.279  -2.494
+ 1541TIP3    H110932   0.234  -2.337  -2.567
+ 1541TIP3    H210933   0.196  -2.210  -2.492
+ 1542TIP3   OH210934   0.177  -0.572  -4.171
+ 1542TIP3    H110935   0.273  -0.561  -4.161
+ 1542TIP3    H210936   0.156  -0.512  -4.245
+ 1543TIP3   OH210937  -0.441  -1.161  -4.203
+ 1543TIP3    H110938  -0.348  -1.132  -4.196
+ 1543TIP3    H210939  -0.436  -1.227  -4.274
+ 1544TIP3   OH210940  -0.535  -0.616  -3.720
+ 1544TIP3    H110941  -0.607  -0.652  -3.775
+ 1544TIP3    H210942  -0.528  -0.683  -3.649
+ 1545TIP3   OH210943  -0.498  -0.813  -3.520
+ 1545TIP3    H110944  -0.528  -0.900  -3.489
+ 1545TIP3    H210945  -0.463  -0.778  -3.437
+ 1546TIP3   OH210946   1.256  -0.686  -3.220
+ 1546TIP3    H110947   1.271  -0.688  -3.124
+ 1546TIP3    H210948   1.342  -0.657  -3.252
+ 1547TIP3   OH210949   1.245  -0.742  -2.932
+ 1547TIP3    H110950   1.194  -0.818  -2.967
+ 1547TIP3    H210951   1.301  -0.787  -2.867
+ 1548TIP3   OH210952   1.046  -1.200  -2.495
+ 1548TIP3    H110953   0.958  -1.191  -2.453
+ 1548TIP3    H210954   1.089  -1.116  -2.472
+ 1549TIP3   OH210955   1.185  -1.315  -3.931
+ 1549TIP3    H110956   1.275  -1.280  -3.918
+ 1549TIP3    H210957   1.181  -1.380  -3.858
+ 1550TIP3   OH210958   1.229  -1.519  -3.735
+ 1550TIP3    H110959   1.159  -1.572  -3.693
+ 1550TIP3    H210960   1.292  -1.504  -3.661
+ 1551TIP3   OH210961   1.204  -1.266  -3.235
+ 1551TIP3    H110962   1.270  -1.311  -3.290
+ 1551TIP3    H210963   1.214  -1.174  -3.265
+ 1552TIP3   OH210964   1.075  -0.972  -3.009
+ 1552TIP3    H110965   1.002  -0.931  -2.959
+ 1552TIP3    H210966   1.028  -1.008  -3.087
+ 1553TIP3   OH210967   1.262  -1.546  -4.107
+ 1553TIP3    H110968   1.198  -1.523  -4.176
+ 1553TIP3    H210969   1.240  -1.480  -4.040
+ 1554TIP3   OH210970   1.083  -1.810  -4.213
+ 1554TIP3    H110971   1.107  -1.734  -4.269
+ 1554TIP3    H210972   1.114  -1.884  -4.266
+ 1555TIP3   OH210973   1.029  -1.701  -3.648
+ 1555TIP3    H110974   1.015  -1.795  -3.668
+ 1555TIP3    H210975   0.986  -1.692  -3.560
+ 1556TIP3   OH210976  -0.491  -1.479  -3.280
+ 1556TIP3    H110977  -0.465  -1.474  -3.373
+ 1556TIP3    H210978  -0.404  -1.500  -3.239
+ 1557TIP3   OH210979   1.098  -1.516  -2.714
+ 1557TIP3    H110980   1.173  -1.577  -2.723
+ 1557TIP3    H210981   1.134  -1.435  -2.750
+ 1558TIP3   OH210982   1.265  -1.748  -2.608
+ 1558TIP3    H110983   1.180  -1.781  -2.644
+ 1558TIP3    H210984   1.330  -1.807  -2.648
+ 1559TIP3   OH210985   1.007  -2.156  -4.340
+ 1559TIP3    H110986   1.057  -2.139  -4.260
+ 1559TIP3    H210987   0.914  -2.160  -4.311
+ 1560TIP3   OH210988   1.008  -1.945  -3.832
+ 1560TIP3    H110989   1.031  -2.041  -3.828
+ 1560TIP3    H210990   1.089  -1.909  -3.873
+ 1561TIP3   OH210991   1.035  -1.888  -3.288
+ 1561TIP3    H110992   1.132  -1.879  -3.288
+ 1561TIP3    H210993   1.018  -1.890  -3.192
+ 1562TIP3   OH210994   1.050  -1.818  -3.002
+ 1562TIP3    H110995   0.964  -1.778  -2.980
+ 1562TIP3    H210996   1.104  -1.740  -3.027
+ 1563TIP3   OH210997  -0.500  -1.944  -2.645
+ 1563TIP3    H110998  -0.406  -1.967  -2.633
+ 1563TIP3    H210999  -0.543  -2.030  -2.632
+ 1564TIP3   OH211000   1.297  -2.396  -2.488
+ 1564TIP3    H111001   1.343  -2.463  -2.541
+ 1564TIP3    H211002   1.310  -2.315  -2.541
+ 1565TIP3   OH211003   1.057  -2.219  -3.826
+ 1565TIP3    H111004   1.066  -2.260  -3.738
+ 1565TIP3    H211005   0.983  -2.271  -3.863
+ 1566TIP3   OH211006  -0.423  -2.110  -3.359
+ 1566TIP3    H111007  -0.376  -2.195  -3.352
+ 1566TIP3    H211008  -0.354  -2.049  -3.325
+ 1567TIP3   OH211009  -0.569  -1.842  -3.255
+ 1567TIP3    H111010  -0.510  -1.846  -3.333
+ 1567TIP3    H211011  -0.531  -1.766  -3.209
+ 1568TIP3   OH211012   1.266  -2.176  -2.646
+ 1568TIP3    H111013   1.177  -2.138  -2.646
+ 1568TIP3    H211014   1.267  -2.224  -2.730
+ 1569TIP3   OH211015   1.262  -2.183  -4.171
+ 1569TIP3    H111016   1.281  -2.253  -4.234
+ 1569TIP3    H211017   1.344  -2.132  -4.172
+ 1570TIP3   OH211018  -0.519  -2.208  -3.852
+ 1570TIP3    H111019  -0.614  -2.206  -3.872
+ 1570TIP3    H211020  -0.481  -2.148  -3.920
+ 1571TIP3   OH211021   0.942  -0.683  -3.642
+ 1571TIP3    H111022   0.992  -0.710  -3.721
+ 1571TIP3    H211023   1.012  -0.645  -3.586
+ 1572TIP3   OH211024  -0.515  -2.321  -3.035
+ 1572TIP3    H111025  -0.585  -2.346  -2.974
+ 1572TIP3    H211026  -0.564  -2.267  -3.100
+ 1573TIP3   OH211027  -0.314  -0.996  -2.560
+ 1573TIP3    H111028  -0.375  -1.015  -2.633
+ 1573TIP3    H211029  -0.365  -1.026  -2.483
+ 1574TIP3   OH211030  -0.032  -0.911  -2.993
+ 1574TIP3    H111031  -0.062  -0.826  -3.029
+ 1574TIP3    H211032   0.064  -0.903  -3.011
+ 1575TIP3   OH211033   0.422  -0.790  -2.668
+ 1575TIP3    H111034   0.443  -0.814  -2.577
+ 1575TIP3    H211035   0.503  -0.745  -2.696
+ 1576TIP3   OH211036   0.643  -0.642  -2.768
+ 1576TIP3    H111037   0.711  -0.707  -2.791
+ 1576TIP3    H211038   0.674  -0.611  -2.681
+ 1577TIP3   OH211039   1.134  -2.375  -2.849
+ 1577TIP3    H111040   1.056  -2.352  -2.901
+ 1577TIP3    H211041   1.158  -2.463  -2.884
+ 1578TIP3   OH211042  -0.295  -0.619  -2.968
+ 1578TIP3    H111043  -0.354  -0.553  -3.010
+ 1578TIP3    H211044  -0.324  -0.610  -2.876
+ 1579TIP3   OH211045  -0.046  -0.643  -3.112
+ 1579TIP3    H111046  -0.130  -0.623  -3.068
+ 1579TIP3    H211047  -0.041  -0.572  -3.179
+ 1580TIP3   OH211048   0.431  -0.640  -3.156
+ 1580TIP3    H111049   0.392  -0.594  -3.232
+ 1580TIP3    H211050   0.437  -0.567  -3.091
+ 1581TIP3   OH211051   0.664  -0.768  -3.064
+ 1581TIP3    H111052   0.579  -0.733  -3.096
+ 1581TIP3    H211053   0.719  -0.688  -3.065
+ 1582TIP3   OH211054   0.917  -0.594  -3.044
+ 1582TIP3    H111055   0.911  -0.499  -3.067
+ 1582TIP3    H211056   0.944  -0.632  -3.130
+ 1583TIP3   OH211057  -0.337  -0.738  -3.273
+ 1583TIP3    H111058  -0.338  -0.785  -3.186
+ 1583TIP3    H211059  -0.260  -0.781  -3.314
+ 1584TIP3   OH211060  -0.133  -0.862  -3.430
+ 1584TIP3    H111061  -0.149  -0.954  -3.402
+ 1584TIP3    H211062  -0.043  -0.847  -3.396
+ 1585TIP3   OH211063   0.141  -0.816  -3.340
+ 1585TIP3    H111064   0.160  -0.910  -3.361
+ 1585TIP3    H211065   0.149  -0.818  -3.243
+ 1586TIP3   OH211066   0.475  -2.227  -3.408
+ 1586TIP3    H111067   0.405  -2.295  -3.395
+ 1586TIP3    H211068   0.535  -2.272  -3.470
+ 1587TIP3   OH211069   0.970  -2.427  -3.364
+ 1587TIP3    H111070   1.045  -2.380  -3.403
+ 1587TIP3    H211071   0.895  -2.394  -3.417
+ 1588TIP3   OH211072   1.179  -2.316  -3.575
+ 1588TIP3    H111073   1.249  -2.356  -3.629
+ 1588TIP3    H211074   1.206  -2.224  -3.567
+ 1589TIP3   OH211075  -0.290  -2.355  -3.652
+ 1589TIP3    H111076  -0.376  -2.367  -3.697
+ 1589TIP3    H211077  -0.248  -2.441  -3.669
+ 1590TIP3   OH211078  -0.410  -2.399  -4.081
+ 1590TIP3    H111079  -0.351  -2.335  -4.126
+ 1590TIP3    H211080  -0.444  -2.345  -4.007
+ 1591TIP3   OH211081   0.157  -2.376  -3.664
+ 1591TIP3    H111082   0.245  -2.340  -3.681
+ 1591TIP3    H211083   0.157  -2.382  -3.568
+ 1592TIP3   OH211084   0.718  -2.368  -3.523
+ 1592TIP3    H111085   0.741  -2.381  -3.616
+ 1592TIP3    H211086   0.679  -2.454  -3.500
+ 1593TIP3   OH211087   0.826  -2.361  -3.914
+ 1593TIP3    H111088   0.747  -2.312  -3.944
+ 1593TIP3    H211089   0.794  -2.452  -3.924
+ 1594TIP3   OH211090  -0.403  -0.810  -3.966
+ 1594TIP3    H111091  -0.475  -0.811  -4.032
+ 1594TIP3    H211092  -0.404  -0.717  -3.940
+ 1595TIP3   OH211093  -0.243  -2.230  -4.228
+ 1595TIP3    H111094  -0.186  -2.284  -4.284
+ 1595TIP3    H211095  -0.178  -2.177  -4.180
+ 1596TIP3   OH211096   0.263  -2.211  -3.955
+ 1596TIP3    H111097   0.309  -2.262  -3.887
+ 1596TIP3    H211098   0.294  -2.122  -3.931
+ 1597TIP3   OH211099   0.473  -0.645  -4.148
+ 1597TIP3    H111100   0.571  -0.634  -4.150
+ 1597TIP3    H211101   0.464  -0.709  -4.221
+ 1598TIP3   OH211102   1.137  -0.727  -3.884
+ 1598TIP3    H111103   1.108  -0.811  -3.925
+ 1598TIP3    H211104   1.114  -0.662  -3.953
+ 1599TIP3   OH211105  -0.311  -2.333  -2.702
+ 1599TIP3    H111106  -0.350  -2.414  -2.664
+ 1599TIP3    H211107  -0.218  -2.343  -2.674
+ 1600TIP3   OH211108  -0.073  -2.394  -2.529
+ 1600TIP3    H111109   0.010  -2.427  -2.568
+ 1600TIP3    H211110  -0.105  -2.474  -2.485
+ 1601TIP3   OH211111  -0.204  -0.702  -4.231
+ 1601TIP3    H111112  -0.243  -0.681  -4.146
+ 1601TIP3    H211113  -0.137  -0.768  -4.209
+ 1602TIP3   OH211114   0.741  -2.482  -2.510
+ 1602TIP3    H111115   0.744  -2.524  -2.422
+ 1602TIP3    H211116   0.835  -2.486  -2.536
+ 1603TIP3   OH211117   1.074  -0.851  -2.638
+ 1603TIP3    H111118   1.001  -0.869  -2.700
+ 1603TIP3    H211119   1.059  -0.757  -2.619
+ 1604TIP3   OH211120   2.494  -1.482  -3.627
+ 1604TIP3    H111121   2.496  -1.385  -3.619
+ 1604TIP3    H211122   2.422  -1.493  -3.691
+ 1605TIP3   OH211123   2.380  -1.534  -3.320
+ 1605TIP3    H111124   2.385  -1.588  -3.239
+ 1605TIP3    H211125   2.361  -1.601  -3.387
+ 1606TIP3   OH211126   1.633  -1.596  -3.152
+ 1606TIP3    H111127   1.622  -1.672  -3.088
+ 1606TIP3    H211128   1.690  -1.540  -3.097
+ 1607TIP3   OH211129   2.750  -1.252  -3.478
+ 1607TIP3    H111130   2.719  -1.326  -3.425
+ 1607TIP3    H211131   2.783  -1.192  -3.410
+ 1608TIP3   OH211132   1.696  -1.118  -3.311
+ 1608TIP3    H111133   1.669  -1.208  -3.334
+ 1608TIP3    H211134   1.786  -1.132  -3.278
+ 1609TIP3   OH211135   1.404  -1.767  -3.758
+ 1609TIP3    H111136   1.350  -1.686  -3.753
+ 1609TIP3    H211137   1.340  -1.829  -3.796
+ 1610TIP3   OH211138   1.455  -1.528  -3.568
+ 1610TIP3    H111139   1.484  -1.611  -3.526
+ 1610TIP3    H211140   1.537  -1.493  -3.606
+ 1611TIP3   OH211141   2.455  -0.727  -3.432
+ 1611TIP3    H111142   2.513  -0.798  -3.464
+ 1611TIP3    H211143   2.429  -0.760  -3.345
+ 1612TIP3   OH211144   2.233  -1.287  -3.265
+ 1612TIP3    H111145   2.270  -1.359  -3.319
+ 1612TIP3    H211146   2.312  -1.268  -3.211
+ 1613TIP3   OH211147   3.075  -2.143  -3.184
+ 1613TIP3    H111148   3.116  -2.080  -3.123
+ 1613TIP3    H211149   3.128  -2.128  -3.264
+ 1614TIP3   OH211150   2.563  -1.853  -3.213
+ 1614TIP3    H111151   2.572  -1.949  -3.206
+ 1614TIP3    H211152   2.552  -1.841  -3.309
+ 1615TIP3   OH211153   1.861  -2.038  -3.515
+ 1615TIP3    H111154   1.855  -1.964  -3.576
+ 1615TIP3    H211155   1.831  -2.109  -3.575
+ 1616TIP3   OH211156   2.641  -2.034  -3.673
+ 1616TIP3    H111157   2.699  -2.078  -3.607
+ 1616TIP3    H211158   2.707  -1.992  -3.730
+ 1617TIP3   OH211159   1.560  -1.770  -3.474
+ 1617TIP3    H111160   1.593  -1.824  -3.399
+ 1617TIP3    H211161   1.516  -1.837  -3.529
+ 1618TIP3   OH211162   2.018  -1.665  -3.543
+ 1618TIP3    H111163   2.108  -1.670  -3.506
+ 1618TIP3    H211164   2.001  -1.758  -3.552
+ 1619TIP3   OH211165   3.120  -2.015  -2.928
+ 1619TIP3    H111166   3.115  -1.926  -2.968
+ 1619TIP3    H211167   3.168  -1.997  -2.845
+ 1620TIP3   OH211168   1.719  -2.161  -3.067
+ 1620TIP3    H111169   1.681  -2.110  -3.140
+ 1620TIP3    H211170   1.657  -2.139  -2.996
+ 1621TIP3   OH211171   2.477  -1.203  -3.748
+ 1621TIP3    H111172   2.462  -1.215  -3.842
+ 1621TIP3    H211173   2.443  -1.113  -3.732
+ 1622TIP3   OH211174   2.029  -1.385  -3.079
+ 1622TIP3    H111175   1.956  -1.326  -3.050
+ 1622TIP3    H211176   2.092  -1.321  -3.118
+ 1623TIP3   OH211177   2.823  -2.109  -3.469
+ 1623TIP3    H111178   2.791  -2.172  -3.403
+ 1623TIP3    H211179   2.878  -2.050  -3.415
+ 1624TIP3   OH211180   1.695  -1.967  -3.300
+ 1624TIP3    H111181   1.754  -1.916  -3.240
+ 1624TIP3    H211182   1.760  -2.004  -3.363
+ 1625TIP3   OH211183   1.828  -1.197  -3.011
+ 1625TIP3    H111184   1.825  -1.101  -3.030
+ 1625TIP3    H211185   1.745  -1.208  -2.962
+ 1626TIP3   OH211186   1.460  -1.228  -3.918
+ 1626TIP3    H111187   1.444  -1.189  -4.006
+ 1626TIP3    H211188   1.475  -1.151  -3.861
+ 1627TIP3   OH211189   2.811  -1.089  -3.219
+ 1627TIP3    H111190   2.717  -1.065  -3.222
+ 1627TIP3    H211191   2.853  -1.003  -3.239
+ 1628TIP3   OH211192   2.148  -2.421  -3.380
+ 1628TIP3    H111193   2.126  -2.516  -3.383
+ 1628TIP3    H211194   2.068  -2.383  -3.339
+ 1629TIP3   OH211195   2.635  -0.886  -3.584
+ 1629TIP3    H111196   2.683  -0.967  -3.613
+ 1629TIP3    H211197   2.704  -0.819  -3.593
+ 1630TIP3   OH211198   2.777  -1.098  -3.717
+ 1630TIP3    H111199   2.737  -1.151  -3.788
+ 1630TIP3    H211200   2.777  -1.161  -3.643
+ 1631TIP3   OH211201   2.365  -1.530  -3.904
+ 1631TIP3    H111202   2.299  -1.470  -3.942
+ 1631TIP3    H211203   2.438  -1.522  -3.968
+ 1632TIP3   OH211204   2.382  -1.708  -4.205
+ 1632TIP3    H111205   2.451  -1.675  -4.144
+ 1632TIP3    H211206   2.435  -1.768  -4.261
+ 1633TIP3   OH211207   3.099  -1.602  -3.075
+ 1633TIP3    H111208   3.034  -1.529  -3.065
+ 1633TIP3    H211209   3.151  -1.568  -3.150
+ 1634TIP3   OH211210   2.711  -1.531  -3.794
+ 1634TIP3    H111211   2.645  -1.510  -3.725
+ 1634TIP3    H211212   2.774  -1.585  -3.743
+ 1635TIP3   OH211213   2.702  -1.701  -2.901
+ 1635TIP3    H111214   2.686  -1.637  -2.830
+ 1635TIP3    H211215   2.635  -1.673  -2.966
+ 1636TIP3   OH211216   2.005  -1.118  -3.342
+ 1636TIP3    H111217   2.008  -1.146  -3.434
+ 1636TIP3    H211218   2.087  -1.157  -3.306
+ 1637TIP3   OH211219   1.927  -1.556  -3.277
+ 1637TIP3    H111220   2.000  -1.563  -3.341
+ 1637TIP3    H211221   1.967  -1.507  -3.203
+ 1638TIP3   OH211222   2.522  -1.018  -3.211
+ 1638TIP3    H111223   2.530  -0.950  -3.142
+ 1638TIP3    H211224   2.507  -1.101  -3.161
+ 1639TIP3   OH211225   2.016  -1.138  -2.786
+ 1639TIP3    H111226   1.966  -1.073  -2.732
+ 1639TIP3    H211227   1.949  -1.165  -2.851
+ 1640TIP3   OH211228   2.620  -1.582  -4.057
+ 1640TIP3    H111229   2.663  -1.557  -3.973
+ 1640TIP3    H211230   2.681  -1.541  -4.122
+ 1641TIP3   OH211231   1.698  -1.479  -2.887
+ 1641TIP3    H111232   1.710  -1.444  -2.798
+ 1641TIP3    H211233   1.616  -1.530  -2.878
+ 1642TIP3   OH211234   2.350  -0.925  -3.693
+ 1642TIP3    H111235   2.405  -0.898  -3.619
+ 1642TIP3    H211236   2.307  -0.842  -3.720
+ 1643TIP3   OH211237   1.825  -0.920  -2.701
+ 1643TIP3    H111238   1.812  -0.919  -2.798
+ 1643TIP3    H211239   1.737  -0.948  -2.668
+ 1644TIP3   OH211240   2.957  -2.411  -4.042
+ 1644TIP3    H111241   2.862  -2.395  -4.025
+ 1644TIP3    H211242   2.977  -2.340  -4.104
+ 1645TIP3   OH211243   3.066  -0.987  -4.247
+ 1645TIP3    H111244   3.100  -0.905  -4.207
+ 1645TIP3    H211245   3.143  -1.047  -4.243
+ 1646TIP3   OH211246   1.371  -1.306  -2.992
+ 1646TIP3    H111247   1.325  -1.310  -3.078
+ 1646TIP3    H211248   1.382  -1.400  -2.970
+ 1647TIP3   OH211249   1.377  -1.017  -3.298
+ 1647TIP3    H111250   1.469  -1.045  -3.289
+ 1647TIP3    H211251   1.368  -0.957  -3.222
+ 1648TIP3   OH211252   2.278  -1.033  -2.841
+ 1648TIP3    H111253   2.287  -0.952  -2.788
+ 1648TIP3    H211254   2.189  -1.064  -2.816
+ 1649TIP3   OH211255   2.309  -0.654  -3.847
+ 1649TIP3    H111256   2.310  -0.643  -3.943
+ 1649TIP3    H211257   2.314  -0.563  -3.814
+ 1650TIP3   OH211258   1.687  -0.740  -3.681
+ 1650TIP3    H111259   1.705  -0.784  -3.595
+ 1650TIP3    H211260   1.602  -0.779  -3.704
+ 1651TIP3   OH211261   2.633  -0.691  -4.135
+ 1651TIP3    H111262   2.678  -0.749  -4.201
+ 1651TIP3    H211263   2.636  -0.747  -4.056
+ 1652TIP3   OH211264   2.582  -0.766  -3.862
+ 1652TIP3    H111265   2.489  -0.749  -3.839
+ 1652TIP3    H211266   2.605  -0.833  -3.796
+ 1653TIP3   OH211267   2.897  -1.824  -2.683
+ 1653TIP3    H111268   2.827  -1.792  -2.743
+ 1653TIP3    H211269   2.904  -1.917  -2.704
+ 1654TIP3   OH211270   1.589  -1.154  -2.865
+ 1654TIP3    H111271   1.618  -1.201  -2.785
+ 1654TIP3    H211272   1.518  -1.211  -2.899
+ 1655TIP3   OH211273   1.904  -2.296  -3.286
+ 1655TIP3    H111274   1.819  -2.309  -3.332
+ 1655TIP3    H211275   1.879  -2.230  -3.220
+ 1656TIP3   OH211276   2.348  -2.348  -2.929
+ 1656TIP3    H111277   2.399  -2.398  -2.862
+ 1656TIP3    H211278   2.257  -2.377  -2.913
+ 1657TIP3   OH211279   2.839  -1.503  -4.249
+ 1657TIP3    H111280   2.799  -1.521  -4.336
+ 1657TIP3    H211281   2.874  -1.414  -4.266
+ 1658TIP3   OH211282   2.329  -2.112  -4.216
+ 1658TIP3    H111283   2.274  -2.108  -4.137
+ 1658TIP3    H211284   2.284  -2.181  -4.267
+ 1659TIP3   OH211285   1.881  -1.835  -3.137
+ 1659TIP3    H111286   1.819  -1.833  -3.061
+ 1659TIP3    H211287   1.880  -1.742  -3.166
+ 1660TIP3   OH211288   2.454  -1.769  -3.787
+ 1660TIP3    H111289   2.416  -1.685  -3.820
+ 1660TIP3    H211290   2.522  -1.787  -3.855
+ 1661TIP3   OH211291   2.369  -1.745  -2.649
+ 1661TIP3    H111292   2.318  -1.820  -2.612
+ 1661TIP3    H211293   2.456  -1.758  -2.606
+ 1662TIP3   OH211294   2.528  -1.827  -3.504
+ 1662TIP3    H111295   2.505  -1.769  -3.580
+ 1662TIP3    H211296   2.553  -1.908  -3.553
+ 1663TIP3   OH211297   2.003  -2.073  -4.315
+ 1663TIP3    H111298   1.968  -2.098  -4.227
+ 1663TIP3    H211299   1.928  -2.021  -4.350
+ 1664TIP3   OH211300   1.342  -2.043  -3.607
+ 1664TIP3    H111301   1.381  -2.077  -3.524
+ 1664TIP3    H211302   1.366  -2.109  -3.674
+ 1665TIP3   OH211303   1.474  -2.021  -4.037
+ 1665TIP3    H111304   1.526  -1.972  -4.104
+ 1665TIP3    H211305   1.403  -1.958  -4.019
+ 1666TIP3   OH211306   2.444  -1.657  -3.061
+ 1666TIP3    H111307   2.488  -1.730  -3.109
+ 1666TIP3    H211308   2.410  -1.704  -2.983
+ 1667TIP3   OH211309   2.167  -2.062  -3.556
+ 1667TIP3    H111310   2.073  -2.072  -3.532
+ 1667TIP3    H211311   2.211  -2.084  -3.472
+ 1668TIP3   OH211312   1.660  -1.903  -3.711
+ 1668TIP3    H111313   1.565  -1.899  -3.734
+ 1668TIP3    H211314   1.684  -1.993  -3.743
+ 1669TIP3   OH211315   1.965  -1.857  -3.887
+ 1669TIP3    H111316   2.057  -1.889  -3.891
+ 1669TIP3    H211317   1.942  -1.844  -3.981
+ 1670TIP3   OH211318   2.620  -2.164  -3.248
+ 1670TIP3    H111319   2.559  -2.154  -3.172
+ 1670TIP3    H211320   2.559  -2.191  -3.319
+ 1671TIP3   OH211321   1.854  -1.802  -4.149
+ 1671TIP3    H111322   1.784  -1.839  -4.206
+ 1671TIP3    H211323   1.920  -1.772  -4.213
+ 1672TIP3   OH211324   2.905  -0.592  -2.589
+ 1672TIP3    H111325   2.932  -0.555  -2.674
+ 1672TIP3    H211326   2.972  -0.556  -2.529
+ 1673TIP3   OH211327   1.697  -1.304  -2.645
+ 1673TIP3    H111328   1.765  -1.299  -2.575
+ 1673TIP3    H211329   1.617  -1.313  -2.590
+ 1674TIP3   OH211330   2.252  -1.796  -3.388
+ 1674TIP3    H111331   2.329  -1.838  -3.430
+ 1674TIP3    H211332   2.239  -1.852  -3.309
+ 1675TIP3   OH211333   1.798  -2.164  -3.757
+ 1675TIP3    H111334   1.738  -2.240  -3.744
+ 1675TIP3    H211335   1.878  -2.208  -3.791
+ 1676TIP3   OH211336   2.169  -1.952  -3.153
+ 1676TIP3    H111337   2.085  -1.903  -3.145
+ 1676TIP3    H211338   2.213  -1.930  -3.068
+ 1677TIP3   OH211339   2.176  -1.324  -3.957
+ 1677TIP3    H111340   2.102  -1.375  -3.995
+ 1677TIP3    H211341   2.158  -1.328  -3.861
+ 1678TIP3   OH211342   2.906  -1.397  -3.073
+ 1678TIP3    H111343   2.957  -1.338  -3.133
+ 1678TIP3    H211344   2.823  -1.406  -3.123
+ 1679TIP3   OH211345   2.596  -2.048  -4.183
+ 1679TIP3    H111346   2.498  -2.048  -4.187
+ 1679TIP3    H211347   2.618  -1.971  -4.127
+ 1680TIP3   OH211348   2.349  -1.323  -2.829
+ 1680TIP3    H111349   2.319  -1.358  -2.744
+ 1680TIP3    H211350   2.316  -1.232  -2.827
+ 1681TIP3   OH211351   2.656  -1.862  -3.988
+ 1681TIP3    H111352   2.743  -1.880  -3.946
+ 1681TIP3    H211353   2.672  -1.775  -4.030
+ 1682TIP3   OH211354   1.712  -1.424  -3.425
+ 1682TIP3    H111355   1.804  -1.397  -3.434
+ 1682TIP3    H211356   1.718  -1.482  -3.347
+ 1683TIP3   OH211357   2.424  -1.189  -4.067
+ 1683TIP3    H111358   2.394  -1.101  -4.038
+ 1683TIP3    H211359   2.346  -1.243  -4.041
+ 1684TIP3   OH211360   1.396  -1.547  -2.836
+ 1684TIP3    H111361   1.443  -1.596  -2.765
+ 1684TIP3    H211362   1.371  -1.618  -2.897
+ 1685TIP3   OH211363   2.117  -1.601  -2.652
+ 1685TIP3    H111364   2.068  -1.638  -2.728
+ 1685TIP3    H211365   2.207  -1.636  -2.668
+ 1686TIP3   OH211366   2.579  -1.059  -2.871
+ 1686TIP3    H111367   2.485  -1.053  -2.896
+ 1686TIP3    H211368   2.573  -1.033  -2.776
+ 1687TIP3   OH211369   3.126  -1.850  -3.998
+ 1687TIP3    H111370   3.065  -1.871  -4.071
+ 1687TIP3    H211371   3.139  -1.755  -4.017
+ 1688TIP3   OH211372   2.946  -0.997  -3.991
+ 1688TIP3    H111373   2.925  -1.076  -3.940
+ 1688TIP3    H211374   2.985  -1.034  -4.072
+ 1689TIP3   OH211375   2.674  -1.466  -3.244
+ 1689TIP3    H111376   2.582  -1.480  -3.272
+ 1689TIP3    H211377   2.720  -1.534  -3.297
+ 1690TIP3   OH211378   1.929  -1.061  -3.653
+ 1690TIP3    H111379   1.976  -0.977  -3.664
+ 1690TIP3    H211380   1.839  -1.035  -3.675
+ 1691TIP3   OH211381   1.543  -1.556  -4.197
+ 1691TIP3    H111382   1.596  -1.499  -4.137
+ 1691TIP3    H211383   1.452  -1.538  -4.167
+ 1692TIP3   OH211384   2.091  -1.308  -3.684
+ 1692TIP3    H111385   2.076  -1.212  -3.674
+ 1692TIP3    H211386   2.012  -1.344  -3.643
+ 1693TIP3   OH211387   2.131  -0.862  -3.056
+ 1693TIP3    H111388   2.187  -0.786  -3.082
+ 1693TIP3    H211389   2.191  -0.911  -2.998
+ 1694TIP3   OH211390   1.975  -0.767  -3.733
+ 1694TIP3    H111391   1.879  -0.752  -3.724
+ 1694TIP3    H211392   2.011  -0.680  -3.707
+ 1695TIP3   OH211393   2.478  -1.286  -3.090
+ 1695TIP3    H111394   2.445  -1.317  -3.004
+ 1695TIP3    H211395   2.549  -1.350  -3.109
+ 1696TIP3   OH211396   2.686  -1.161  -4.195
+ 1696TIP3    H111397   2.737  -1.201  -4.122
+ 1696TIP3    H211398   2.597  -1.169  -4.158
+ 1697TIP3   OH211399   2.805  -0.869  -2.844
+ 1697TIP3    H111400   2.720  -0.893  -2.885
+ 1697TIP3    H211401   2.818  -0.779  -2.879
+ 1698TIP3   OH211402   3.175  -0.714  -4.158
+ 1698TIP3    H111403   3.246  -0.646  -4.146
+ 1698TIP3    H211404   3.096  -0.661  -4.138
+ 1699TIP3   OH211405   2.785  -1.296  -3.965
+ 1699TIP3    H111406   2.760  -1.369  -3.906
+ 1699TIP3    H211407   2.882  -1.300  -3.961
+ 1700TIP3   OH211408   1.529  -0.919  -3.051
+ 1700TIP3    H111409   1.555  -1.009  -3.029
+ 1700TIP3    H211410   1.547  -0.874  -2.967
+ 1701TIP3   OH211411   2.136  -1.054  -4.327
+ 1701TIP3    H111412   2.175  -1.139  -4.355
+ 1701TIP3    H211413   2.081  -1.083  -4.252
+ 1702TIP3   OH211414   1.992  -1.099  -4.074
+ 1702TIP3    H111415   2.048  -1.151  -4.015
+ 1702TIP3    H211416   2.013  -1.007  -4.049
+ 1703TIP3   OH211417   1.680  -1.383  -4.014
+ 1703TIP3    H111418   1.607  -1.334  -3.972
+ 1703TIP3    H211419   1.730  -1.311  -4.055
+ 1704TIP3   OH211420   2.481  -2.104  -3.013
+ 1704TIP3    H111421   2.498  -2.081  -2.920
+ 1704TIP3    H211422   2.408  -2.167  -3.003
+ 1705TIP3   OH211423   2.504  -2.151  -3.921
+ 1705TIP3    H111424   2.538  -2.104  -3.999
+ 1705TIP3    H211425   2.559  -2.114  -3.851
+ 1706TIP3   OH211426   2.288  -0.941  -4.028
+ 1706TIP3    H111427   2.211  -0.887  -4.003
+ 1706TIP3    H211428   2.341  -0.875  -4.075
+ 1707TIP3   OH211429   2.244  -1.965  -3.818
+ 1707TIP3    H111430   2.324  -1.910  -3.810
+ 1707TIP3    H211431   2.222  -1.983  -3.725
+ 1708TIP3   OH211432   2.291  -1.877  -2.904
+ 1708TIP3    H111433   2.284  -1.822  -2.824
+ 1708TIP3    H211434   2.352  -1.945  -2.875
+ 1709TIP3   OH211435   2.315  -2.261  -3.724
+ 1709TIP3    H111436   2.296  -2.194  -3.656
+ 1709TIP3    H211437   2.387  -2.218  -3.773
+ 1710TIP3   OH211438   2.007  -0.821  -4.025
+ 1710TIP3    H111439   2.012  -0.736  -4.073
+ 1710TIP3    H211440   1.995  -0.792  -3.933
+ 1711TIP3   OH211441   1.889  -2.146  -4.077
+ 1711TIP3    H111442   1.872  -2.081  -4.009
+ 1711TIP3    H211443   1.964  -2.196  -4.040
+ 1712TIP3   OH211444   2.764  -1.687  -3.410
+ 1712TIP3    H111445   2.682  -1.733  -3.436
+ 1712TIP3    H211446   2.815  -1.758  -3.365
+ 1713TIP3   OH211447   1.716  -1.074  -4.154
+ 1713TIP3    H111448   1.797  -1.044  -4.111
+ 1713TIP3    H211449   1.754  -1.127  -4.226
+ 1714TIP3   OH211450   1.546  -1.843  -4.250
+ 1714TIP3    H111451   1.557  -1.747  -4.238
+ 1714TIP3    H211452   1.458  -1.847  -4.292
+ 1715TIP3   OH211453   2.891  -0.797  -3.253
+ 1715TIP3    H111454   2.862  -0.724  -3.311
+ 1715TIP3    H211455   2.987  -0.778  -3.250
+ 1716TIP3   OH211456   1.636  -2.354  -3.370
+ 1716TIP3    H111457   1.612  -2.357  -3.465
+ 1716TIP3    H211458   1.598  -2.438  -3.337
+ 1717TIP3   OH211459   1.520  -1.002  -3.746
+ 1717TIP3    H111460   1.440  -0.952  -3.724
+ 1717TIP3    H211461   1.557  -0.950  -3.820
+ 1718TIP3   OH211462   1.454  -0.710  -2.624
+ 1718TIP3    H111463   1.515  -0.738  -2.553
+ 1718TIP3    H211464   1.418  -0.796  -2.653
+ 1719TIP3   OH211465   1.929  -0.804  -2.452
+ 1719TIP3    H111466   1.997  -0.868  -2.426
+ 1719TIP3    H211467   1.907  -0.833  -2.542
+ 1720TIP3   OH211468   2.351  -0.870  -4.331
+ 1720TIP3    H111469   2.271  -0.927  -4.326
+ 1720TIP3    H211470   2.418  -0.937  -4.352
+ 1721TIP3   OH211471   2.580  -0.988  -2.602
+ 1721TIP3    H111472   2.535  -1.060  -2.554
+ 1721TIP3    H211473   2.646  -0.956  -2.537
+ 1722TIP3   OH211474   2.735  -0.897  -4.288
+ 1722TIP3    H111475   2.763  -0.978  -4.244
+ 1722TIP3    H211476   2.819  -0.856  -4.318
+ 1723TIP3   OH211477   1.452  -1.352  -2.512
+ 1723TIP3    H111478   1.469  -1.440  -2.549
+ 1723TIP3    H211479   1.380  -1.321  -2.570
+ 1724TIP3   OH211480   1.882  -1.291  -4.302
+ 1724TIP3    H111481   1.899  -1.366  -4.244
+ 1724TIP3    H211482   1.944  -1.305  -4.374
+ 1725TIP3   OH211483   2.121  -1.329  -2.584
+ 1725TIP3    H111484   2.087  -1.299  -2.669
+ 1725TIP3    H211485   2.127  -1.427  -2.597
+ 1726TIP3   OH211486   2.411  -1.190  -4.347
+ 1726TIP3    H111487   2.429  -1.178  -4.252
+ 1726TIP3    H211488   2.477  -1.256  -4.372
+ 1727TIP3   OH211489   2.680  -1.338  -2.830
+ 1727TIP3    H111490   2.746  -1.311  -2.894
+ 1727TIP3    H211491   2.607  -1.276  -2.847
+ 1728TIP3   OH211492   1.547  -1.619  -2.601
+ 1728TIP3    H111493   1.610  -1.691  -2.618
+ 1728TIP3    H211494   1.538  -1.624  -2.505
+ 1729TIP3   OH211495   1.988  -1.505  -4.079
+ 1729TIP3    H111496   1.922  -1.555  -4.030
+ 1729TIP3    H211497   2.024  -1.572  -4.140
+ 1730TIP3   OH211498   1.928  -1.715  -2.835
+ 1730TIP3    H111499   1.842  -1.670  -2.834
+ 1730TIP3    H211500   1.969  -1.681  -2.916
+ 1731TIP3   OH211501   2.104  -1.684  -4.275
+ 1731TIP3    H111502   2.109  -1.712  -4.367
+ 1731TIP3    H211503   2.199  -1.688  -4.250
+ 1732TIP3   OH211504   2.437  -1.452  -2.502
+ 1732TIP3    H111505   2.529  -1.471  -2.525
+ 1732TIP3    H211506   2.410  -1.534  -2.459
+ 1733TIP3   OH211507   1.973  -1.991  -2.741
+ 1733TIP3    H111508   1.969  -2.059  -2.810
+ 1733TIP3    H211509   1.941  -1.912  -2.788
+ 1734TIP3   OH211510   1.997  -2.152  -3.003
+ 1734TIP3    H111511   2.044  -2.092  -3.063
+ 1734TIP3    H211512   1.903  -2.136  -3.023
+ 1735TIP3   OH211513   2.160  -1.604  -2.966
+ 1735TIP3    H111514   2.246  -1.605  -3.011
+ 1735TIP3    H211515   2.127  -1.515  -2.987
+ 1736TIP3   OH211516   2.614  -1.807  -2.483
+ 1736TIP3    H111517   2.629  -1.900  -2.457
+ 1736TIP3    H211518   2.703  -1.770  -2.477
+ 1737TIP3   OH211519   2.720  -1.537  -2.650
+ 1737TIP3    H111520   2.685  -1.464  -2.705
+ 1737TIP3    H211521   2.814  -1.530  -2.674
+ 1738TIP3   OH211522   1.792  -1.825  -2.549
+ 1738TIP3    H111523   1.724  -1.892  -2.570
+ 1738TIP3    H211524   1.861  -1.848  -2.612
+ 1739TIP3   OH211525   2.075  -2.413  -2.964
+ 1739TIP3    H111526   2.053  -2.319  -2.978
+ 1739TIP3    H211527   2.003  -2.456  -3.014
+ 1740TIP3   OH211528   2.212  -1.962  -2.590
+ 1740TIP3    H111529   2.179  -1.985  -2.501
+ 1740TIP3    H211530   2.130  -1.979  -2.641
+ 1741TIP3   OH211531   2.470  -2.051  -2.726
+ 1741TIP3    H111532   2.386  -2.035  -2.679
+ 1741TIP3    H211533   2.520  -2.101  -2.659
+ 1742TIP3   OH211534   2.636  -2.202  -2.529
+ 1742TIP3    H111535   2.618  -2.296  -2.512
+ 1742TIP3    H211536   2.613  -2.160  -2.444
+ 1743TIP3   OH211537   1.633  -2.061  -2.577
+ 1743TIP3    H111538   1.610  -2.125  -2.646
+ 1743TIP3    H211539   1.608  -2.109  -2.496
+ 1744TIP3   OH211540   2.055  -2.466  -2.681
+ 1744TIP3    H111541   2.115  -2.542  -2.674
+ 1744TIP3    H211542   2.054  -2.450  -2.777
+ 1745TIP3   OH211543   2.150  -2.280  -2.494
+ 1745TIP3    H111544   2.115  -2.338  -2.565
+ 1745TIP3    H211545   2.083  -2.210  -2.489
+ 1746TIP3   OH211546   2.063  -0.575  -4.172
+ 1746TIP3    H111547   2.159  -0.560  -4.162
+ 1746TIP3    H211548   2.039  -0.513  -4.242
+ 1747TIP3   OH211549   1.449  -1.170  -4.195
+ 1747TIP3    H111550   1.539  -1.133  -4.197
+ 1747TIP3    H211551   1.444  -1.221  -4.277
+ 1748TIP3   OH211552   1.350  -0.616  -3.720
+ 1748TIP3    H111553   1.278  -0.652  -3.776
+ 1748TIP3    H211554   1.356  -0.684  -3.650
+ 1749TIP3   OH211555   1.388  -0.813  -3.520
+ 1749TIP3    H111556   1.357  -0.900  -3.488
+ 1749TIP3    H211557   1.422  -0.777  -3.437
+ 1750TIP3   OH211558   3.156  -0.688  -3.218
+ 1750TIP3    H111559   3.186  -0.687  -3.127
+ 1750TIP3    H211560   3.239  -0.664  -3.263
+ 1751TIP3   OH211561   3.101  -0.782  -2.907
+ 1751TIP3    H111562   3.078  -0.838  -2.982
+ 1751TIP3    H211563   3.193  -0.806  -2.888
+ 1752TIP3   OH211564   2.929  -1.167  -2.537
+ 1752TIP3    H111565   2.851  -1.195  -2.485
+ 1752TIP3    H211566   2.981  -1.121  -2.467
+ 1753TIP3   OH211567   3.067  -1.314  -3.930
+ 1753TIP3    H111568   3.157  -1.276  -3.919
+ 1753TIP3    H211569   3.067  -1.378  -3.856
+ 1754TIP3   OH211570   3.112  -1.511  -3.732
+ 1754TIP3    H111571   3.050  -1.572  -3.687
+ 1754TIP3    H211572   3.185  -1.502  -3.669
+ 1755TIP3   OH211573   3.087  -1.266  -3.241
+ 1755TIP3    H111574   3.153  -1.316  -3.291
+ 1755TIP3    H211575   3.109  -1.174  -3.266
+ 1756TIP3   OH211576   3.139  -1.551  -4.107
+ 1756TIP3    H111577   3.081  -1.516  -4.175
+ 1756TIP3    H211578   3.128  -1.483  -4.038
+ 1757TIP3   OH211579   2.963  -1.811  -4.218
+ 1757TIP3    H111580   2.997  -1.735  -4.268
+ 1757TIP3    H211581   3.009  -1.885  -4.260
+ 1758TIP3   OH211582   2.908  -1.701  -3.651
+ 1758TIP3    H111583   2.901  -1.797  -3.665
+ 1758TIP3    H211584   2.871  -1.691  -3.561
+ 1759TIP3   OH211585   1.405  -1.477  -3.276
+ 1759TIP3    H111586   1.428  -1.475  -3.370
+ 1759TIP3    H211587   1.488  -1.510  -3.236
+ 1760TIP3   OH211588   2.991  -1.465  -2.720
+ 1760TIP3    H111589   3.045  -1.546  -2.724
+ 1760TIP3    H211590   3.054  -1.399  -2.749
+ 1761TIP3   OH211591   3.119  -1.687  -2.620
+ 1761TIP3    H111592   3.044  -1.747  -2.642
+ 1761TIP3    H211593   3.194  -1.749  -2.618
+ 1762TIP3   OH211594   2.889  -2.130  -4.338
+ 1762TIP3    H111595   2.950  -2.156  -4.268
+ 1762TIP3    H211596   2.803  -2.164  -4.310
+ 1763TIP3   OH211597   2.888  -1.946  -3.837
+ 1763TIP3    H111598   2.915  -2.040  -3.828
+ 1763TIP3    H211599   2.970  -1.908  -3.872
+ 1764TIP3   OH211600   2.923  -1.883  -3.293
+ 1764TIP3    H111601   3.020  -1.872  -3.296
+ 1764TIP3    H211602   2.907  -1.880  -3.198
+ 1765TIP3   OH211603   2.921  -1.831  -2.997
+ 1765TIP3    H111604   2.839  -1.782  -2.971
+ 1765TIP3    H211605   2.978  -1.755  -3.024
+ 1766TIP3   OH211606   3.175  -2.395  -2.502
+ 1766TIP3    H111607   3.231  -2.467  -2.535
+ 1766TIP3    H211608   3.213  -2.317  -2.544
+ 1767TIP3   OH211609   2.939  -2.215  -3.823
+ 1767TIP3    H111610   2.960  -2.259  -3.738
+ 1767TIP3    H211611   2.870  -2.274  -3.859
+ 1768TIP3   OH211612   1.463  -2.109  -3.362
+ 1768TIP3    H111613   1.503  -2.197  -3.347
+ 1768TIP3    H211614   1.530  -2.052  -3.320
+ 1769TIP3   OH211615   1.314  -1.840  -3.258
+ 1769TIP3    H111616   1.374  -1.849  -3.332
+ 1769TIP3    H211617   1.357  -1.773  -3.203
+ 1770TIP3   OH211618   3.098  -2.167  -2.680
+ 1770TIP3    H111619   3.026  -2.178  -2.615
+ 1770TIP3    H211620   3.093  -2.247  -2.735
+ 1771TIP3   OH211621   3.143  -2.179  -4.180
+ 1771TIP3    H111622   3.171  -2.258  -4.228
+ 1771TIP3    H211623   3.228  -2.134  -4.167
+ 1772TIP3   OH211624   1.364  -2.204  -3.848
+ 1772TIP3    H111625   1.270  -2.207  -3.873
+ 1772TIP3    H211626   1.403  -2.149  -3.918
+ 1773TIP3   OH211627   2.829  -0.685  -3.641
+ 1773TIP3    H111628   2.877  -0.710  -3.721
+ 1773TIP3    H211629   2.898  -0.644  -3.588
+ 1774TIP3   OH211630   1.367  -2.333  -3.049
+ 1774TIP3    H111631   1.312  -2.342  -2.970
+ 1774TIP3    H211632   1.317  -2.267  -3.099
+ 1775TIP3   OH211633   1.570  -1.005  -2.569
+ 1775TIP3    H111634   1.496  -1.012  -2.630
+ 1775TIP3    H211635   1.527  -1.015  -2.483
+ 1776TIP3   OH211636   1.854  -0.915  -3.002
+ 1776TIP3    H111637   1.823  -0.828  -3.034
+ 1776TIP3    H211638   1.951  -0.904  -3.017
+ 1777TIP3   OH211639   2.307  -0.782  -2.700
+ 1777TIP3    H111640   2.317  -0.797  -2.604
+ 1777TIP3    H211641   2.391  -0.738  -2.722
+ 1778TIP3   OH211642   2.541  -0.641  -2.775
+ 1778TIP3    H111643   2.607  -0.709  -2.794
+ 1778TIP3    H211644   2.572  -0.608  -2.688
+ 1779TIP3   OH211645   2.989  -2.366  -2.867
+ 1779TIP3    H111646   2.915  -2.390  -2.927
+ 1779TIP3    H211647   3.043  -2.447  -2.878
+ 1780TIP3   OH211648   1.590  -0.618  -2.967
+ 1780TIP3    H111649   1.531  -0.554  -3.010
+ 1780TIP3    H211650   1.561  -0.611  -2.875
+ 1781TIP3   OH211651   1.841  -0.640  -3.112
+ 1781TIP3    H111652   1.756  -0.621  -3.067
+ 1781TIP3    H211653   1.844  -0.570  -3.179
+ 1782TIP3   OH211654   2.316  -0.641  -3.155
+ 1782TIP3    H111655   2.280  -0.595  -3.232
+ 1782TIP3    H211656   2.326  -0.568  -3.091
+ 1783TIP3   OH211657   2.550  -0.774  -3.063
+ 1783TIP3    H111658   2.467  -0.734  -3.095
+ 1783TIP3    H211659   2.608  -0.696  -3.057
+ 1784TIP3   OH211660   2.805  -0.594  -3.039
+ 1784TIP3    H111661   2.798  -0.501  -3.068
+ 1784TIP3    H211662   2.830  -0.637  -3.122
+ 1785TIP3   OH211663   1.549  -0.738  -3.272
+ 1785TIP3    H111664   1.547  -0.785  -3.187
+ 1785TIP3    H211665   1.626  -0.781  -3.315
+ 1786TIP3   OH211666   1.752  -0.864  -3.428
+ 1786TIP3    H111667   1.737  -0.956  -3.400
+ 1786TIP3    H211668   1.842  -0.847  -3.395
+ 1787TIP3   OH211669   2.025  -0.816  -3.339
+ 1787TIP3    H111670   2.048  -0.908  -3.360
+ 1787TIP3    H211671   2.034  -0.817  -3.242
+ 1788TIP3   OH211672   2.361  -2.226  -3.406
+ 1788TIP3    H111673   2.293  -2.295  -3.393
+ 1788TIP3    H211674   2.424  -2.271  -3.465
+ 1789TIP3   OH211675   2.852  -2.419  -3.362
+ 1789TIP3    H111676   2.932  -2.382  -3.405
+ 1789TIP3    H211677   2.782  -2.394  -3.423
+ 1790TIP3   OH211678   3.061  -2.314  -3.576
+ 1790TIP3    H111679   3.133  -2.361  -3.622
+ 1790TIP3    H211680   3.097  -2.223  -3.572
+ 1791TIP3   OH211681   1.596  -2.354  -3.654
+ 1791TIP3    H111682   1.509  -2.369  -3.697
+ 1791TIP3    H211683   1.637  -2.442  -3.666
+ 1792TIP3   OH211684   1.475  -2.400  -4.081
+ 1792TIP3    H111685   1.533  -2.335  -4.127
+ 1792TIP3    H211686   1.439  -2.346  -4.009
+ 1793TIP3   OH211687   2.042  -2.370  -3.665
+ 1793TIP3    H111688   2.134  -2.343  -3.679
+ 1793TIP3    H211689   2.041  -2.383  -3.569
+ 1794TIP3   OH211690   2.601  -2.368  -3.525
+ 1794TIP3    H111691   2.629  -2.382  -3.616
+ 1794TIP3    H211692   2.564  -2.455  -3.501
+ 1795TIP3   OH211693   2.705  -2.364  -3.914
+ 1795TIP3    H111694   2.628  -2.318  -3.949
+ 1795TIP3    H211695   2.677  -2.457  -3.923
+ 1796TIP3   OH211696   1.482  -0.810  -3.964
+ 1796TIP3    H111697   1.411  -0.813  -4.030
+ 1796TIP3    H211698   1.483  -0.716  -3.942
+ 1797TIP3   OH211699   1.644  -2.229  -4.227
+ 1797TIP3    H111700   1.700  -2.286  -4.281
+ 1797TIP3    H211701   1.710  -2.176  -4.180
+ 1798TIP3   OH211702   2.150  -2.205  -3.955
+ 1798TIP3    H111703   2.191  -2.265  -3.891
+ 1798TIP3    H211704   2.188  -2.121  -3.925
+ 1799TIP3   OH211705   2.359  -0.647  -4.145
+ 1799TIP3    H111706   2.456  -0.634  -4.149
+ 1799TIP3    H211707   2.349  -0.708  -4.221
+ 1800TIP3   OH211708   3.020  -0.726  -3.883
+ 1800TIP3    H111709   2.993  -0.810  -3.925
+ 1800TIP3    H211710   3.002  -0.661  -3.953
+ 1801TIP3   OH211711   1.574  -2.339  -2.710
+ 1801TIP3    H111712   1.539  -2.418  -2.665
+ 1801TIP3    H211713   1.666  -2.338  -2.678
+ 1802TIP3   OH211714   1.814  -2.393  -2.526
+ 1802TIP3    H111715   1.895  -2.429  -2.566
+ 1802TIP3    H211716   1.776  -2.472  -2.484
+ 1803TIP3   OH211717   1.682  -0.703  -4.232
+ 1803TIP3    H111718   1.641  -0.679  -4.148
+ 1803TIP3    H211719   1.748  -0.769  -4.208
+ 1804TIP3   OH211720   2.625  -2.484  -2.512
+ 1804TIP3    H111721   2.626  -2.525  -2.423
+ 1804TIP3    H211722   2.720  -2.482  -2.533
+ 1805TIP3   OH211723   4.222  -1.590  -3.311
+ 1805TIP3    H111724   4.293  -1.544  -3.263
+ 1805TIP3    H211725   4.241  -1.568  -3.403
+ 1806TIP3   OH211726   3.514  -1.580  -3.149
+ 1806TIP3    H111727   3.518  -1.652  -3.084
+ 1806TIP3    H211728   3.589  -1.525  -3.121
+ 1807TIP3   OH211729   3.584  -1.148  -3.290
+ 1807TIP3    H111730   3.573  -1.233  -3.337
+ 1807TIP3    H211731   3.677  -1.127  -3.308
+ 1808TIP3   OH211732   3.280  -1.781  -3.762
+ 1808TIP3    H111733   3.248  -1.690  -3.750
+ 1808TIP3    H211734   3.207  -1.821  -3.813
+ 1809TIP3   OH211735   3.355  -1.534  -3.588
+ 1809TIP3    H111736   3.376  -1.608  -3.529
+ 1809TIP3    H211737   3.444  -1.509  -3.620
+ 1810TIP3   OH211738   4.122  -1.288  -3.246
+ 1810TIP3    H111739   4.146  -1.349  -3.317
+ 1810TIP3    H211740   4.207  -1.267  -3.207
+ 1811TIP3   OH211741   3.744  -2.052  -3.505
+ 1811TIP3    H111742   3.757  -1.966  -3.549
+ 1811TIP3    H211743   3.707  -2.103  -3.580
+ 1812TIP3   OH211744   3.407  -1.784  -3.449
+ 1812TIP3    H111745   3.477  -1.827  -3.397
+ 1812TIP3    H211746   3.419  -1.825  -3.536
+ 1813TIP3   OH211747   3.952  -1.643  -3.505
+ 1813TIP3    H111748   4.025  -1.697  -3.471
+ 1813TIP3    H211749   3.899  -1.710  -3.552
+ 1814TIP3   OH211750   3.622  -2.174  -3.089
+ 1814TIP3    H111751   3.584  -2.125  -3.163
+ 1814TIP3    H211752   3.557  -2.156  -3.018
+ 1815TIP3   OH211753   3.914  -1.389  -3.074
+ 1815TIP3    H111754   3.844  -1.326  -3.049
+ 1815TIP3    H211755   3.980  -1.330  -3.115
+ 1816TIP3   OH211756   3.582  -1.970  -3.295
+ 1816TIP3    H111757   3.646  -1.911  -3.250
+ 1816TIP3    H211758   3.639  -2.006  -3.366
+ 1817TIP3   OH211759   3.718  -1.195  -2.996
+ 1817TIP3    H111760   3.715  -1.114  -3.051
+ 1817TIP3    H211761   3.626  -1.196  -2.967
+ 1818TIP3   OH211762   3.335  -1.220  -3.913
+ 1818TIP3    H111763   3.329  -1.178  -4.001
+ 1818TIP3    H211764   3.360  -1.148  -3.853
+ 1819TIP3   OH211765   4.043  -2.426  -3.375
+ 1819TIP3    H111766   4.015  -2.520  -3.375
+ 1819TIP3    H211767   3.963  -2.383  -3.338
+ 1820TIP3   OH211768   4.237  -1.524  -3.928
+ 1820TIP3    H111769   4.165  -1.462  -3.944
+ 1820TIP3    H211770   4.305  -1.491  -3.987
+ 1821TIP3   OH211771   4.280  -1.696  -4.212
+ 1821TIP3    H111772   4.344  -1.693  -4.138
+ 1821TIP3    H211773   4.303  -1.780  -4.253
+ 1822TIP3   OH211774   3.747  -1.461  -3.616
+ 1822TIP3    H111775   3.731  -1.495  -3.706
+ 1822TIP3    H211776   3.824  -1.513  -3.587
+ 1823TIP3   OH211777   3.897  -1.125  -3.338
+ 1823TIP3    H111778   3.893  -1.149  -3.432
+ 1823TIP3    H211779   3.981  -1.165  -3.310
+ 1824TIP3   OH211780   3.815  -1.572  -3.265
+ 1824TIP3    H111781   3.872  -1.570  -3.345
+ 1824TIP3    H211782   3.856  -1.503  -3.209
+ 1825TIP3   OH211783   3.903  -1.138  -2.784
+ 1825TIP3    H111784   3.852  -1.071  -2.736
+ 1825TIP3    H211785   3.842  -1.160  -2.857
+ 1826TIP3   OH211786   3.595  -1.502  -2.868
+ 1826TIP3    H111787   3.602  -1.440  -2.793
+ 1826TIP3    H211788   3.499  -1.510  -2.879
+ 1827TIP3   OH211789   4.263  -0.928  -3.703
+ 1827TIP3    H111790   4.299  -0.877  -3.628
+ 1827TIP3    H211791   4.200  -0.865  -3.741
+ 1828TIP3   OH211792   3.707  -0.917  -2.695
+ 1828TIP3    H111793   3.706  -0.910  -2.793
+ 1828TIP3    H211794   3.619  -0.953  -2.676
+ 1829TIP3   OH211795   3.657  -1.582  -3.862
+ 1829TIP3    H111796   3.662  -1.511  -3.927
+ 1829TIP3    H211797   3.582  -1.633  -3.896
+ 1830TIP3   OH211798   3.233  -1.305  -2.979
+ 1830TIP3    H111799   3.206  -1.306  -3.073
+ 1830TIP3    H211800   3.259  -1.397  -2.963
+ 1831TIP3   OH211801   3.257  -1.027  -3.279
+ 1831TIP3    H111802   3.351  -1.049  -3.293
+ 1831TIP3    H211803   3.268  -0.936  -3.247
+ 1832TIP3   OH211804   4.165  -1.030  -2.847
+ 1832TIP3    H111805   4.179  -0.952  -2.792
+ 1832TIP3    H211806   4.080  -1.065  -2.816
+ 1833TIP3   OH211807   4.186  -0.649  -3.842
+ 1833TIP3    H111808   4.201  -0.656  -3.937
+ 1833TIP3    H211809   4.214  -0.560  -3.819
+ 1834TIP3   OH211810   3.575  -0.747  -3.644
+ 1834TIP3    H111811   3.590  -0.788  -3.557
+ 1834TIP3    H211812   3.499  -0.799  -3.674
+ 1835TIP3   OH211813   3.437  -1.138  -2.842
+ 1835TIP3    H111814   3.497  -1.195  -2.791
+ 1835TIP3    H211815   3.395  -1.197  -2.907
+ 1836TIP3   OH211816   3.796  -2.311  -3.290
+ 1836TIP3    H111817   3.715  -2.315  -3.344
+ 1836TIP3    H211818   3.775  -2.235  -3.234
+ 1837TIP3   OH211819   4.234  -2.373  -2.862
+ 1837TIP3    H111820   4.245  -2.445  -2.799
+ 1837TIP3    H211821   4.142  -2.390  -2.894
+ 1838TIP3   OH211822   4.220  -2.100  -4.212
+ 1838TIP3    H111823   4.162  -2.107  -4.135
+ 1838TIP3    H211824   4.185  -2.170  -4.269
+ 1839TIP3   OH211825   3.777  -1.830  -3.151
+ 1839TIP3    H111826   3.724  -1.814  -3.072
+ 1839TIP3    H211827   3.790  -1.738  -3.186
+ 1840TIP3   OH211828   3.774  -1.825  -3.660
+ 1840TIP3    H111829   3.678  -1.828  -3.676
+ 1840TIP3    H211830   3.807  -1.830  -3.751
+ 1841TIP3   OH211831   4.261  -1.722  -3.744
+ 1841TIP3    H111832   4.216  -1.654  -3.798
+ 1841TIP3    H211833   4.332  -1.667  -3.707
+ 1842TIP3   OH211834   4.249  -1.743  -2.635
+ 1842TIP3    H111835   4.197  -1.824  -2.616
+ 1842TIP3    H211836   4.339  -1.781  -2.632
+ 1843TIP3   OH211837   3.505  -1.814  -2.958
+ 1843TIP3    H111838   3.550  -1.782  -2.878
+ 1843TIP3    H211839   3.487  -1.907  -2.935
+ 1844TIP3   OH211840   3.895  -2.075  -4.311
+ 1844TIP3    H111841   3.855  -2.097  -4.225
+ 1844TIP3    H211842   3.823  -2.020  -4.349
+ 1845TIP3   OH211843   3.196  -2.070  -3.596
+ 1845TIP3    H111844   3.260  -2.071  -3.523
+ 1845TIP3    H211845   3.247  -2.101  -3.673
+ 1846TIP3   OH211846   3.357  -2.024  -4.041
+ 1846TIP3    H111847   3.414  -1.974  -4.103
+ 1846TIP3    H211848   3.291  -1.956  -4.017
+ 1847TIP3   OH211849   4.351  -1.687  -3.023
+ 1847TIP3    H111850   4.378  -1.754  -3.089
+ 1847TIP3    H211851   4.272  -1.730  -2.986
+ 1848TIP3   OH211852   4.048  -2.089  -3.554
+ 1848TIP3    H111853   3.954  -2.074  -3.534
+ 1848TIP3    H211854   4.089  -2.056  -3.472
+ 1849TIP3   OH211855   3.505  -1.944  -3.686
+ 1849TIP3    H111856   3.427  -1.912  -3.735
+ 1849TIP3    H211857   3.535  -2.020  -3.739
+ 1850TIP3   OH211858   3.875  -1.910  -3.931
+ 1850TIP3    H111859   3.967  -1.881  -3.919
+ 1850TIP3    H211860   3.838  -1.845  -3.994
+ 1851TIP3   OH211861   3.727  -1.796  -4.154
+ 1851TIP3    H111862   3.674  -1.840  -4.222
+ 1851TIP3    H211863   3.793  -1.748  -4.205
+ 1852TIP3   OH211864   3.579  -1.313  -2.647
+ 1852TIP3    H111865   3.649  -1.305  -2.579
+ 1852TIP3    H211866   3.500  -1.296  -2.592
+ 1853TIP3   OH211867   4.139  -1.859  -3.416
+ 1853TIP3    H111868   4.224  -1.883  -3.455
+ 1853TIP3    H211869   4.161  -1.855  -3.322
+ 1854TIP3   OH211870   3.675  -2.175  -3.758
+ 1854TIP3    H111871   3.626  -2.257  -3.742
+ 1854TIP3    H211872   3.758  -2.207  -3.794
+ 1855TIP3   OH211873   4.048  -1.976  -3.143
+ 1855TIP3    H111874   3.981  -1.908  -3.162
+ 1855TIP3    H211875   4.101  -1.934  -3.073
+ 1856TIP3   OH211876   4.202  -1.342  -2.832
+ 1856TIP3    H111877   4.188  -1.347  -2.737
+ 1856TIP3    H211878   4.216  -1.247  -2.847
+ 1857TIP3   OH211879   3.572  -1.408  -3.392
+ 1857TIP3    H111880   3.636  -1.408  -3.466
+ 1857TIP3    H211881   3.602  -1.485  -3.341
+ 1858TIP3   OH211882   4.251  -1.213  -4.054
+ 1858TIP3    H111883   4.244  -1.119  -4.030
+ 1858TIP3    H211884   4.162  -1.242  -4.026
+ 1859TIP3   OH211885   3.299  -1.556  -2.849
+ 1859TIP3    H111886   3.324  -1.607  -2.769
+ 1859TIP3    H211887   3.245  -1.619  -2.899
+ 1860TIP3   OH211888   4.000  -1.613  -2.649
+ 1860TIP3    H111889   3.972  -1.635  -2.740
+ 1860TIP3    H211890   4.096  -1.631  -2.655
+ 1861TIP3   OH211891   3.797  -1.037  -3.625
+ 1861TIP3    H111892   3.862  -0.984  -3.671
+ 1861TIP3    H211893   3.725  -1.044  -3.688
+ 1862TIP3   OH211894   3.418  -1.578  -4.203
+ 1862TIP3    H111895   3.475  -1.511  -4.161
+ 1862TIP3    H211896   3.330  -1.552  -4.171
+ 1863TIP3   OH211897   4.014  -1.279  -3.621
+ 1863TIP3    H111898   4.005  -1.208  -3.686
+ 1863TIP3    H211899   3.945  -1.340  -3.649
+ 1864TIP3   OH211900   4.020  -0.853  -3.051
+ 1864TIP3    H111901   4.082  -0.794  -3.096
+ 1864TIP3    H211902   4.081  -0.916  -3.008
+ 1865TIP3   OH211903   3.862  -0.764  -3.751
+ 1865TIP3    H111904   3.771  -0.766  -3.717
+ 1865TIP3    H211905   3.896  -0.681  -3.713
+ 1866TIP3   OH211906   3.431  -2.091  -2.889
+ 1866TIP3    H111907   3.342  -2.082  -2.924
+ 1866TIP3    H211908   3.427  -2.180  -2.849
+ 1867TIP3   OH211909   4.017  -1.055  -4.286
+ 1867TIP3    H111910   4.031  -1.136  -4.335
+ 1867TIP3    H211911   3.972  -1.091  -4.206
+ 1868TIP3   OH211912   3.550  -1.366  -4.053
+ 1868TIP3    H111913   3.488  -1.322  -3.991
+ 1868TIP3    H211914   3.624  -1.303  -4.054
+ 1869TIP3   OH211915   4.338  -2.064  -2.983
+ 1869TIP3    H111916   4.384  -2.142  -2.951
+ 1869TIP3    H211917   4.273  -2.102  -3.044
+ 1870TIP3   OH211918   4.190  -0.929  -4.020
+ 1870TIP3    H111919   4.095  -0.917  -4.004
+ 1870TIP3    H211920   4.204  -0.873  -4.097
+ 1871TIP3   OH211921   4.154  -1.968  -3.810
+ 1871TIP3    H111922   4.201  -1.886  -3.785
+ 1871TIP3    H211923   4.112  -1.989  -3.725
+ 1872TIP3   OH211924   4.162  -1.880  -2.893
+ 1872TIP3    H111925   4.183  -1.825  -2.817
+ 1872TIP3    H211926   4.236  -1.944  -2.896
+ 1873TIP3   OH211927   4.198  -2.270  -3.694
+ 1873TIP3    H111928   4.164  -2.192  -3.644
+ 1873TIP3    H211929   4.270  -2.231  -3.746
+ 1874TIP3   OH211930   3.871  -0.836  -4.041
+ 1874TIP3    H111931   3.894  -0.748  -4.075
+ 1874TIP3    H211932   3.873  -0.822  -3.944
+ 1875TIP3   OH211933   3.768  -2.155  -4.080
+ 1875TIP3    H111934   3.764  -2.080  -4.019
+ 1875TIP3    H211935   3.841  -2.207  -4.044
+ 1876TIP3   OH211936   3.624  -1.052  -4.157
+ 1876TIP3    H111937   3.703  -1.026  -4.107
+ 1876TIP3    H211938   3.661  -1.121  -4.214
+ 1877TIP3   OH211939   3.432  -1.854  -4.261
+ 1877TIP3    H111940   3.447  -1.760  -4.241
+ 1877TIP3    H211941   3.339  -1.852  -4.291
+ 1878TIP3   OH211942   3.505  -2.350  -3.376
+ 1878TIP3    H111943   3.503  -2.363  -3.473
+ 1878TIP3    H211944   3.481  -2.439  -3.343
+ 1879TIP3   OH211945   3.404  -0.989  -3.743
+ 1879TIP3    H111946   3.322  -0.939  -3.736
+ 1879TIP3    H211947   3.447  -0.948  -3.818
+ 1880TIP3   OH211948   3.336  -0.717  -2.628
+ 1880TIP3    H111949   3.405  -0.736  -2.561
+ 1880TIP3    H211950   3.292  -0.801  -2.635
+ 1881TIP3   OH211951   3.816  -0.802  -2.453
+ 1881TIP3    H111952   3.882  -0.869  -2.427
+ 1881TIP3    H211953   3.789  -0.837  -2.540
+ 1882TIP3   OH211954   4.228  -0.873  -4.317
+ 1882TIP3    H111955   4.145  -0.926  -4.314
+ 1882TIP3    H211956   4.286  -0.936  -4.359
+ 1883TIP3   OH211957   3.306  -1.338  -2.549
+ 1883TIP3    H111958   3.335  -1.429  -2.571
+ 1883TIP3    H211959   3.262  -1.311  -2.630
+ 1884TIP3   OH211960   3.761  -1.306  -4.322
+ 1884TIP3    H111961   3.785  -1.339  -4.234
+ 1884TIP3    H211962   3.846  -1.310  -4.368
+ 1885TIP3   OH211963   4.000  -1.330  -2.583
+ 1885TIP3    H111964   3.979  -1.296  -2.671
+ 1885TIP3    H211965   4.016  -1.425  -2.598
+ 1886TIP3   OH211966   4.292  -1.192  -4.357
+ 1886TIP3    H111967   4.307  -1.174  -4.262
+ 1886TIP3    H211968   4.329  -1.280  -4.368
+ 1887TIP3   OH211969   3.421  -1.636  -2.598
+ 1887TIP3    H111970   3.500  -1.692  -2.599
+ 1887TIP3    H211971   3.421  -1.606  -2.505
+ 1888TIP3   OH211972   3.790  -1.722  -2.861
+ 1888TIP3    H111973   3.741  -1.641  -2.836
+ 1888TIP3    H211974   3.855  -1.687  -2.924
+ 1889TIP3   OH211975   3.996  -1.658  -4.265
+ 1889TIP3    H111976   3.990  -1.697  -4.352
+ 1889TIP3    H211977   4.089  -1.668  -4.240
+ 1890TIP3   OH211978   4.267  -1.482  -2.488
+ 1890TIP3    H111979   4.354  -1.485  -2.530
+ 1890TIP3    H211980   4.271  -1.559  -2.430
+ 1891TIP3   OH211981   3.853  -1.993  -2.740
+ 1891TIP3    H111982   3.864  -2.057  -2.813
+ 1891TIP3    H211983   3.839  -1.911  -2.789
+ 1892TIP3   OH211984   3.886  -2.148  -2.997
+ 1892TIP3    H111985   3.938  -2.090  -3.058
+ 1892TIP3    H211986   3.796  -2.143  -3.034
+ 1893TIP3   OH211987   4.064  -1.609  -2.968
+ 1893TIP3    H111988   4.135  -1.608  -3.033
+ 1893TIP3    H211989   4.029  -1.519  -2.977
+ 1894TIP3   OH211990   3.668  -1.807  -2.564
+ 1894TIP3    H111991   3.618  -1.891  -2.564
+ 1894TIP3    H211992   3.751  -1.833  -2.607
+ 1895TIP3   OH211993   3.972  -2.409  -2.961
+ 1895TIP3    H111994   3.948  -2.316  -2.979
+ 1895TIP3    H211995   3.906  -2.456  -3.016
+ 1896TIP3   OH211996   4.104  -1.969  -2.584
+ 1896TIP3    H111997   4.060  -1.987  -2.500
+ 1896TIP3    H211998   4.030  -1.987  -2.646
+ 1897TIP3   OH211999   3.534  -2.062  -2.579
+ 1897TIP3    H112000   3.533  -2.134  -2.643
+ 1897TIP3    H212001   3.520  -2.110  -2.495
+ 1898TIP3   OH212002   3.944  -2.463  -2.679
+ 1898TIP3    H112003   4.004  -2.539  -2.674
+ 1898TIP3    H212004   3.941  -2.447  -2.775
+ 1899TIP3   OH212005   4.034  -2.285  -2.483
+ 1899TIP3    H112006   4.007  -2.338  -2.560
+ 1899TIP3    H212007   3.974  -2.209  -2.488
+ 1900TIP3   OH212008   3.957  -0.570  -4.163
+ 1900TIP3    H112009   4.053  -0.569  -4.163
+ 1900TIP3    H212010   3.934  -0.521  -4.243
+ 1901TIP3   OH212011   3.334  -1.163  -4.197
+ 1901TIP3    H112012   3.427  -1.135  -4.195
+ 1901TIP3    H212013   3.333  -1.222  -4.274
+ 1902TIP3   OH212014   3.237  -0.614  -3.716
+ 1902TIP3    H112015   3.166  -0.654  -3.770
+ 1902TIP3    H212016   3.246  -0.681  -3.644
+ 1903TIP3   OH212017   3.266  -0.804  -3.516
+ 1903TIP3    H112018   3.248  -0.896  -3.493
+ 1903TIP3    H212019   3.326  -0.782  -3.441
+ 1904TIP3   OH212020   3.281  -1.484  -3.275
+ 1904TIP3    H112021   3.305  -1.470  -3.368
+ 1904TIP3    H212022   3.370  -1.501  -3.237
+ 1905TIP3   OH212023   3.269  -1.939  -2.653
+ 1905TIP3    H112024   3.363  -1.961  -2.636
+ 1905TIP3    H212025   3.225  -2.024  -2.635
+ 1906TIP3   OH212026   3.334  -2.115  -3.342
+ 1906TIP3    H112027   3.384  -2.199  -3.347
+ 1906TIP3    H212028   3.405  -2.053  -3.319
+ 1907TIP3   OH212029   3.203  -1.841  -3.241
+ 1907TIP3    H112030   3.257  -1.855  -3.321
+ 1907TIP3    H212031   3.241  -1.757  -3.212
+ 1908TIP3   OH212032   3.253  -2.200  -3.848
+ 1908TIP3    H112033   3.159  -2.205  -3.871
+ 1908TIP3    H212034   3.292  -2.146  -3.920
+ 1909TIP3   OH212035   3.258  -2.303  -3.027
+ 1909TIP3    H112036   3.193  -2.363  -2.990
+ 1909TIP3    H212037   3.211  -2.272  -3.106
+ 1910TIP3   OH212038   3.443  -1.020  -2.564
+ 1910TIP3    H112039   3.378  -1.017  -2.635
+ 1910TIP3    H212040   3.393  -1.010  -2.482
+ 1911TIP3   OH212041   3.747  -0.907  -2.982
+ 1911TIP3    H112042   3.697  -0.845  -3.038
+ 1911TIP3    H212043   3.838  -0.893  -3.015
+ 1912TIP3   OH212044   4.220  -0.739  -2.706
+ 1912TIP3    H112045   4.201  -0.785  -2.622
+ 1912TIP3    H212046   4.318  -0.741  -2.703
+ 1913TIP3   OH212047   3.478  -0.614  -2.957
+ 1913TIP3    H112048   3.421  -0.558  -3.013
+ 1913TIP3    H212049   3.435  -0.606  -2.872
+ 1914TIP3   OH212050   3.747  -0.612  -3.083
+ 1914TIP3    H112051   3.657  -0.626  -3.048
+ 1914TIP3    H212052   3.728  -0.592  -3.175
+ 1915TIP3   OH212053   4.214  -0.663  -3.163
+ 1915TIP3    H112054   4.174  -0.619  -3.240
+ 1915TIP3    H212055   4.217  -0.593  -3.098
+ 1916TIP3   OH212056   3.916  -0.799  -3.346
+ 1916TIP3    H112057   3.901  -0.888  -3.382
+ 1916TIP3    H212058   3.891  -0.814  -3.254
+ 1917TIP3   OH212059   4.270  -2.266  -3.405
+ 1917TIP3    H112060   4.182  -2.305  -3.392
+ 1917TIP3    H212061   4.291  -2.295  -3.494
+ 1918TIP3   OH212062   3.506  -2.401  -3.661
+ 1918TIP3    H112063   3.417  -2.404  -3.700
+ 1918TIP3    H212064   3.527  -2.495  -3.656
+ 1919TIP3   OH212065   3.352  -2.396  -4.087
+ 1919TIP3    H112066   3.418  -2.335  -4.126
+ 1919TIP3    H212067   3.330  -2.351  -4.004
+ 1920TIP3   OH212068   3.932  -2.373  -3.665
+ 1920TIP3    H112069   4.025  -2.345  -3.671
+ 1920TIP3    H212070   3.925  -2.385  -3.570
+ 1921TIP3   OH212071   3.366  -0.810  -3.966
+ 1921TIP3    H112072   3.295  -0.811  -4.033
+ 1921TIP3    H212073   3.368  -0.717  -3.941
+ 1922TIP3   OH212074   3.527  -2.228  -4.232
+ 1922TIP3    H112075   3.584  -2.288  -4.281
+ 1922TIP3    H212076   3.592  -2.177  -4.181
+ 1923TIP3   OH212077   4.072  -2.209  -3.965
+ 1923TIP3    H112078   4.064  -2.266  -3.886
+ 1923TIP3    H212079   4.055  -2.121  -3.928
+ 1924TIP3   OH212080   4.266  -0.653  -4.149
+ 1924TIP3    H112081   4.357  -0.622  -4.167
+ 1924TIP3    H212082   4.251  -0.714  -4.225
+ 1925TIP3   OH212083   3.456  -2.333  -2.697
+ 1925TIP3    H112084   3.422  -2.418  -2.664
+ 1925TIP3    H212085   3.550  -2.343  -2.676
+ 1926TIP3   OH212086   3.697  -2.394  -2.528
+ 1926TIP3    H112087   3.781  -2.427  -2.566
+ 1926TIP3    H212088   3.665  -2.474  -2.483
+ 1927TIP3   OH212089   3.573  -0.697  -4.231
+ 1927TIP3    H112090   3.526  -0.686  -4.147
+ 1927TIP3    H212091   3.635  -0.769  -4.212
+ 1928TIP3   OH212092  -3.173   0.402  -3.669
+ 1928TIP3    H112093  -3.175   0.493  -3.635
+ 1928TIP3    H212094  -3.246   0.401  -3.732
+ 1929TIP3   OH212095  -4.033   0.311  -3.152
+ 1929TIP3    H112096  -4.035   0.234  -3.093
+ 1929TIP3    H212097  -3.952   0.354  -3.122
+ 1930TIP3   OH212098  -2.905   0.621  -3.489
+ 1930TIP3    H112099  -2.959   0.548  -3.452
+ 1930TIP3    H212100  -2.879   0.665  -3.408
+ 1931TIP3   OH212101  -3.974   0.751  -3.286
+ 1931TIP3    H112102  -3.978   0.667  -3.339
+ 1931TIP3    H212103  -3.878   0.757  -3.275
+ 1932TIP3   OH212104  -4.173   0.204  -3.838
+ 1932TIP3    H112105  -4.227   0.266  -3.785
+ 1932TIP3    H212106  -4.214   0.121  -3.814
+ 1933TIP3   OH212107  -4.207   0.358  -3.578
+ 1933TIP3    H112108  -4.186   0.278  -3.528
+ 1933TIP3    H212109  -4.124   0.380  -3.620
+ 1934TIP3   OH212110  -3.183   1.166  -3.422
+ 1934TIP3    H112111  -3.149   1.090  -3.474
+ 1934TIP3    H212112  -3.254   1.126  -3.370
+ 1935TIP3   OH212113  -3.421   0.590  -3.262
+ 1935TIP3    H112114  -3.386   0.523  -3.324
+ 1935TIP3    H212115  -3.338   0.605  -3.213
+ 1936TIP3   OH212116  -2.554  -0.251  -3.197
+ 1936TIP3    H112117  -2.539  -0.185  -3.127
+ 1936TIP3    H212118  -2.499  -0.214  -3.269
+ 1937TIP3   OH212119  -3.094   0.032  -3.210
+ 1937TIP3    H112120  -3.082  -0.064  -3.215
+ 1937TIP3    H212121  -3.102   0.055  -3.304
+ 1938TIP3   OH212122  -3.804  -0.166  -3.505
+ 1938TIP3    H112123  -3.784  -0.082  -3.550
+ 1938TIP3    H212124  -3.835  -0.219  -3.581
+ 1939TIP3   OH212125  -3.015  -0.160  -3.682
+ 1939TIP3    H112126  -2.960  -0.197  -3.610
+ 1939TIP3    H212127  -2.951  -0.103  -3.727
+ 1940TIP3   OH212128  -4.137   0.113  -3.451
+ 1940TIP3    H112129  -4.078   0.068  -3.388
+ 1940TIP3    H212130  -4.124   0.058  -3.530
+ 1941TIP3   OH212131  -3.596   0.247  -3.505
+ 1941TIP3    H112132  -3.518   0.201  -3.468
+ 1941TIP3    H212133  -3.639   0.173  -3.552
+ 1942TIP3   OH212134  -2.480  -0.105  -2.950
+ 1942TIP3    H112135  -2.543  -0.037  -2.981
+ 1942TIP3    H212136  -2.515  -0.119  -2.860
+ 1943TIP3   OH212137  -3.916  -0.283  -3.094
+ 1943TIP3    H112138  -3.960  -0.238  -3.167
+ 1943TIP3    H212139  -3.973  -0.264  -3.019
+ 1944TIP3   OH212140  -3.167   0.698  -3.753
+ 1944TIP3    H112141  -3.201   0.666  -3.836
+ 1944TIP3    H212142  -3.217   0.780  -3.738
+ 1945TIP3   OH212143  -3.627   0.504  -3.072
+ 1945TIP3    H112144  -3.702   0.565  -3.056
+ 1945TIP3    H212145  -3.562   0.559  -3.118
+ 1946TIP3   OH212146  -2.826  -0.230  -3.467
+ 1946TIP3    H112147  -2.878  -0.277  -3.401
+ 1946TIP3    H212148  -2.784  -0.161  -3.413
+ 1947TIP3   OH212149  -3.959  -0.079  -3.297
+ 1947TIP3    H112150  -3.892  -0.024  -3.250
+ 1947TIP3    H212151  -3.902  -0.116  -3.368
+ 1948TIP3   OH212152  -3.838   0.688  -3.010
+ 1948TIP3    H112153  -3.835   0.784  -3.026
+ 1948TIP3    H212154  -3.917   0.677  -2.954
+ 1949TIP3   OH212155  -4.183   0.653  -3.915
+ 1949TIP3    H112156  -4.259   0.671  -3.975
+ 1949TIP3    H212157  -4.198   0.714  -3.843
+ 1950TIP3   OH212158  -2.864   0.813  -3.211
+ 1950TIP3    H112159  -2.955   0.786  -3.228
+ 1950TIP3    H212160  -2.845   0.878  -3.280
+ 1951TIP3   OH212161  -2.816  -0.315  -3.093
+ 1951TIP3    H112162  -2.894  -0.266  -3.128
+ 1951TIP3    H212163  -2.746  -0.289  -3.155
+ 1952TIP3   OH212164  -3.507  -0.539  -3.383
+ 1952TIP3    H112165  -3.529  -0.634  -3.384
+ 1952TIP3    H212166  -3.587  -0.500  -3.343
+ 1953TIP3   OH212167  -3.018   0.997  -3.568
+ 1953TIP3    H112168  -2.978   0.914  -3.604
+ 1953TIP3    H212169  -2.946   1.061  -3.586
+ 1954TIP3   OH212170  -2.877   0.789  -3.713
+ 1954TIP3    H112171  -2.925   0.744  -3.784
+ 1954TIP3    H212172  -2.878   0.720  -3.645
+ 1955TIP3   OH212173  -2.726   0.669  -2.881
+ 1955TIP3    H112174  -2.737   0.592  -2.941
+ 1955TIP3    H212175  -2.697   0.738  -2.942
+ 1956TIP3   OH212176  -3.300   0.351  -3.919
+ 1956TIP3    H112177  -3.364   0.415  -3.956
+ 1956TIP3    H212178  -3.225   0.358  -3.980
+ 1957TIP3   OH212179  -3.276   0.179  -4.210
+ 1957TIP3    H112180  -3.211   0.207  -4.143
+ 1957TIP3    H212181  -3.220   0.118  -4.263
+ 1958TIP3   OH212182  -2.545   0.289  -3.078
+ 1958TIP3    H112183  -2.625   0.344  -3.068
+ 1958TIP3    H212184  -2.505   0.326  -3.159
+ 1959TIP3   OH212185  -2.935   0.353  -3.796
+ 1959TIP3    H112186  -3.009   0.372  -3.734
+ 1959TIP3    H212187  -2.878   0.297  -3.741
+ 1960TIP3   OH212188  -2.960   0.206  -2.920
+ 1960TIP3    H112189  -2.950   0.281  -2.859
+ 1960TIP3    H212190  -3.028   0.240  -2.979
+ 1961TIP3   OH212191  -3.784   0.433  -3.615
+ 1961TIP3    H112192  -3.814   0.388  -3.697
+ 1961TIP3    H212193  -3.719   0.369  -3.580
+ 1962TIP3   OH212194  -3.643   0.771  -3.340
+ 1962TIP3    H112195  -3.654   0.733  -3.428
+ 1962TIP3    H212196  -3.566   0.722  -3.307
+ 1963TIP3   OH212197  -3.733   0.323  -3.269
+ 1963TIP3    H112198  -3.672   0.314  -3.345
+ 1963TIP3    H212199  -3.680   0.377  -3.207
+ 1964TIP3   OH212200  -3.639   0.753  -2.786
+ 1964TIP3    H112201  -3.692   0.811  -2.730
+ 1964TIP3    H212202  -3.704   0.717  -2.848
+ 1965TIP3   OH212203  -3.037   0.306  -4.056
+ 1965TIP3    H112204  -2.994   0.327  -3.971
+ 1965TIP3    H212205  -2.974   0.346  -4.120
+ 1966TIP3   OH212206  -3.958   0.392  -2.873
+ 1966TIP3    H112207  -3.950   0.442  -2.790
+ 1966TIP3    H212208  -4.055   0.377  -2.875
+ 1967TIP3   OH212209  -3.338   0.970  -3.663
+ 1967TIP3    H112210  -3.245   0.980  -3.642
+ 1967TIP3    H212211  -3.354   1.042  -3.726
+ 1968TIP3   OH212212  -3.837   0.964  -2.698
+ 1968TIP3    H112213  -3.845   0.968  -2.795
+ 1968TIP3    H212214  -3.927   0.945  -2.668
+ 1969TIP3   OH212215  -2.694  -0.534  -4.075
+ 1969TIP3    H112216  -2.789  -0.523  -4.055
+ 1969TIP3    H212217  -2.670  -0.444  -4.101
+ 1970TIP3   OH212218  -3.893   0.306  -3.868
+ 1970TIP3    H112219  -3.920   0.382  -3.921
+ 1970TIP3    H212220  -3.970   0.248  -3.877
+ 1971TIP3   OH212221  -2.582   0.900  -4.253
+ 1971TIP3    H112222  -2.557   0.977  -4.200
+ 1971TIP3    H212223  -2.512   0.835  -4.236
+ 1972TIP3   OH212224  -2.444   0.930  -2.723
+ 1972TIP3    H112225  -2.454   0.833  -2.737
+ 1972TIP3    H212226  -2.534   0.952  -2.690
+ 1973TIP3   OH212227  -3.385   0.858  -2.845
+ 1973TIP3    H112228  -3.372   0.932  -2.784
+ 1973TIP3    H212229  -3.471   0.821  -2.816
+ 1974TIP3   OH212230  -3.352   1.233  -3.845
+ 1974TIP3    H112231  -3.350   1.242  -3.941
+ 1974TIP3    H212232  -3.342   1.325  -3.815
+ 1975TIP3   OH212233  -3.977   1.147  -3.679
+ 1975TIP3    H112234  -3.953   1.106  -3.594
+ 1975TIP3    H212235  -4.054   1.093  -3.704
+ 1976TIP3   OH212236  -3.059   1.219  -4.026
+ 1976TIP3    H112237  -3.098   1.146  -4.075
+ 1976TIP3    H212238  -2.980   1.175  -3.994
+ 1977TIP3   OH212239  -3.098   1.023  -3.840
+ 1977TIP3    H112240  -3.144   1.108  -3.848
+ 1977TIP3    H212241  -3.040   1.035  -3.763
+ 1978TIP3   OH212242  -4.104   0.685  -2.887
+ 1978TIP3    H112243  -4.059   0.682  -2.800
+ 1978TIP3    H212244  -4.171   0.616  -2.872
+ 1979TIP3   OH212245  -3.748  -0.423  -3.290
+ 1979TIP3    H112246  -3.831  -0.431  -3.341
+ 1979TIP3    H212247  -3.771  -0.349  -3.231
+ 1980TIP3   OH212248  -3.310  -0.472  -2.928
+ 1980TIP3    H112249  -3.259  -0.517  -2.859
+ 1980TIP3    H212250  -3.402  -0.501  -2.911
+ 1981TIP3   OH212251  -3.009  -0.089  -2.896
+ 1981TIP3    H112252  -3.027  -0.105  -2.802
+ 1981TIP3    H212253  -2.989   0.006  -2.897
+ 1982TIP3   OH212254  -2.816   0.386  -4.251
+ 1982TIP3    H112255  -2.859   0.365  -4.334
+ 1982TIP3    H212256  -2.784   0.476  -4.271
+ 1983TIP3   OH212257  -3.329  -0.225  -4.216
+ 1983TIP3    H112258  -3.382  -0.222  -4.136
+ 1983TIP3    H212259  -3.372  -0.296  -4.265
+ 1984TIP3   OH212260  -3.768   0.057  -3.152
+ 1984TIP3    H112261  -3.812   0.071  -3.066
+ 1984TIP3    H212262  -3.753   0.148  -3.183
+ 1985TIP3   OH212263  -3.771   0.062  -3.660
+ 1985TIP3    H112264  -3.866   0.054  -3.680
+ 1985TIP3    H212265  -3.733   0.046  -3.749
+ 1986TIP3   OH212266  -3.201   0.109  -3.793
+ 1986TIP3    H112267  -3.240   0.196  -3.815
+ 1986TIP3    H212268  -3.135   0.098  -3.862
+ 1987TIP3   OH212269  -3.277   0.140  -2.632
+ 1987TIP3    H112270  -3.327   0.059  -2.606
+ 1987TIP3    H212271  -3.185   0.113  -2.617
+ 1988TIP3   OH212272  -3.128   0.054  -3.502
+ 1988TIP3    H112273  -3.144   0.122  -3.569
+ 1988TIP3    H212274  -3.103  -0.021  -3.558
+ 1989TIP3   OH212275  -4.030   0.074  -2.961
+ 1989TIP3    H112276  -3.986   0.109  -2.883
+ 1989TIP3    H212277  -4.060  -0.012  -2.928
+ 1990TIP3   OH212278  -3.651  -0.187  -4.311
+ 1990TIP3    H112279  -3.688  -0.215  -4.225
+ 1990TIP3    H212280  -3.727  -0.136  -4.347
+ 1991TIP3   OH212281  -4.316  -0.169  -3.598
+ 1991TIP3    H112282  -4.305  -0.195  -3.505
+ 1991TIP3    H212283  -4.283  -0.246  -3.645
+ 1992TIP3   OH212284  -4.213  -0.105  -4.014
+ 1992TIP3    H112285  -4.149  -0.100  -4.086
+ 1992TIP3    H212286  -4.297  -0.090  -4.059
+ 1993TIP3   OH212287  -3.230   0.226  -3.029
+ 1993TIP3    H112288  -3.182   0.196  -3.109
+ 1993TIP3    H212289  -3.237   0.144  -2.979
+ 1994TIP3   OH212290  -3.492  -0.178  -3.557
+ 1994TIP3    H112291  -3.584  -0.180  -3.527
+ 1994TIP3    H212292  -3.444  -0.189  -3.473
+ 1995TIP3   OH212293  -4.037  -0.052  -3.695
+ 1995TIP3    H112294  -4.123  -0.052  -3.739
+ 1995TIP3    H212295  -3.998  -0.135  -3.729
+ 1996TIP3   OH212296  -3.673  -0.020  -3.925
+ 1996TIP3    H112297  -3.577  -0.014  -3.913
+ 1996TIP3    H212298  -3.693   0.045  -3.994
+ 1997TIP3   OH212299  -3.055  -0.266  -3.260
+ 1997TIP3    H112300  -3.115  -0.263  -3.182
+ 1997TIP3    H212301  -3.119  -0.293  -3.328
+ 1998TIP3   OH212302  -3.817   0.101  -4.163
+ 1998TIP3    H112303  -3.874   0.046  -4.219
+ 1998TIP3    H212304  -3.738   0.114  -4.217
+ 1999TIP3   OH212305  -2.753   1.316  -2.590
+ 1999TIP3    H112306  -2.727   1.359  -2.673
+ 1999TIP3    H212307  -2.683   1.345  -2.530
+ 2000TIP3   OH212308  -3.950   0.588  -2.650
+ 2000TIP3    H112309  -3.889   0.582  -2.574
+ 2000TIP3    H212310  -4.036   0.590  -2.602
+ 2001TIP3   OH212311  -3.400   0.083  -3.377
+ 2001TIP3    H112312  -3.311   0.068  -3.412
+ 2001TIP3    H212313  -3.398   0.030  -3.295
+ 2002TIP3   OH212314  -3.872  -0.286  -3.755
+ 2002TIP3    H112315  -3.915  -0.372  -3.748
+ 2002TIP3    H212316  -3.787  -0.310  -3.795
+ 2003TIP3   OH212317  -3.497  -0.084  -3.151
+ 2003TIP3    H112318  -3.565  -0.016  -3.151
+ 2003TIP3    H212319  -3.438  -0.058  -3.077
+ 2004TIP3   OH212320  -3.478   0.565  -3.961
+ 2004TIP3    H112321  -3.554   0.512  -3.994
+ 2004TIP3    H212322  -3.495   0.567  -3.864
+ 2005TIP3   OH212323  -2.786   0.476  -3.105
+ 2005TIP3    H112324  -2.734   0.522  -3.172
+ 2005TIP3    H212325  -2.870   0.459  -3.152
+ 2006TIP3   OH212326  -3.062  -0.159  -4.188
+ 2006TIP3    H112327  -3.160  -0.163  -4.185
+ 2006TIP3    H212328  -3.039  -0.086  -4.126
+ 2007TIP3   OH212329  -3.319   0.567  -2.838
+ 2007TIP3    H112330  -3.336   0.525  -2.753
+ 2007TIP3    H212331  -3.349   0.658  -2.825
+ 2008TIP3   OH212332  -3.000   0.023  -3.990
+ 2008TIP3    H112333  -2.915   0.005  -3.945
+ 2008TIP3    H212334  -2.983   0.111  -4.030
+ 2009TIP3   OH212335  -3.968   0.500  -3.388
+ 2009TIP3    H112336  -3.907   0.484  -3.463
+ 2009TIP3    H212337  -3.960   0.416  -3.340
+ 2010TIP3   OH212338  -3.235   0.695  -4.073
+ 2010TIP3    H112339  -3.258   0.782  -4.034
+ 2010TIP3    H212340  -3.310   0.642  -4.042
+ 2011TIP3   OH212341  -4.232   0.365  -2.834
+ 2011TIP3    H112342  -4.226   0.299  -2.763
+ 2011TIP3    H212343  -4.286   0.318  -2.901
+ 2012TIP3   OH212344  -3.538   0.278  -2.657
+ 2012TIP3    H112345  -3.563   0.254  -2.747
+ 2012TIP3    H212346  -3.445   0.248  -2.655
+ 2013TIP3   OH212347  -3.086   0.882  -2.881
+ 2013TIP3    H112348  -3.165   0.829  -2.905
+ 2013TIP3    H212349  -3.072   0.851  -2.789
+ 2014TIP3   OH212350  -2.527   0.032  -4.001
+ 2014TIP3    H112351  -2.593   0.015  -4.071
+ 2014TIP3    H212352  -2.516   0.128  -4.016
+ 2015TIP3   OH212353  -2.490   0.641  -2.727
+ 2015TIP3    H112354  -2.586   0.652  -2.746
+ 2015TIP3    H212355  -2.459   0.610  -2.815
+ 2016TIP3   OH212356  -2.698   0.891  -3.988
+ 2016TIP3    H112357  -2.737   0.815  -3.941
+ 2016TIP3    H212358  -2.680   0.852  -4.076
+ 2017TIP3   OH212359  -3.732   0.833  -3.643
+ 2017TIP3    H112360  -3.683   0.914  -3.664
+ 2017TIP3    H212361  -3.818   0.850  -3.682
+ 2018TIP3   OH212362  -4.148   0.308  -4.164
+ 2018TIP3    H112363  -4.077   0.370  -4.138
+ 2018TIP3    H212364  -4.220   0.369  -4.184
+ 2019TIP3   OH212365  -3.544   0.601  -3.693
+ 2019TIP3    H112366  -3.576   0.691  -3.674
+ 2019TIP3    H212367  -3.608   0.546  -3.646
+ 2020TIP3   OH212368  -3.527   1.025  -3.055
+ 2020TIP3    H112369  -3.471   1.103  -3.069
+ 2020TIP3    H212370  -3.470   0.971  -2.997
+ 2021TIP3   OH212371  -3.683   1.120  -3.735
+ 2021TIP3    H112372  -3.778   1.134  -3.725
+ 2021TIP3    H212373  -3.647   1.207  -3.708
+ 2022TIP3   OH212374  -3.173   0.659  -3.080
+ 2022TIP3    H112375  -3.218   0.599  -3.018
+ 2022TIP3    H212376  -3.136   0.594  -3.145
+ 2023TIP3   OH212377  -2.981   0.739  -4.198
+ 2023TIP3    H112378  -2.920   0.698  -4.133
+ 2023TIP3    H212379  -3.066   0.717  -4.156
+ 2024TIP3   OH212380  -2.883   1.058  -2.856
+ 2024TIP3    H112381  -2.959   0.998  -2.875
+ 2024TIP3    H212382  -2.893   1.133  -2.917
+ 2025TIP3   OH212383  -2.478   1.174  -4.153
+ 2025TIP3    H112384  -2.408   1.243  -4.142
+ 2025TIP3    H212385  -2.558   1.226  -4.133
+ 2026TIP3   OH212386  -4.130  -0.231  -2.871
+ 2026TIP3    H112387  -4.167  -0.177  -2.942
+ 2026TIP3    H212388  -4.115  -0.318  -2.909
+ 2027TIP3   OH212389  -2.870   0.592  -3.967
+ 2027TIP3    H112390  -2.898   0.519  -3.909
+ 2027TIP3    H212391  -2.773   0.586  -3.961
+ 2028TIP3   OH212392  -4.130   0.952  -3.046
+ 2028TIP3    H112393  -4.060   0.889  -3.027
+ 2028TIP3    H212394  -4.117   1.017  -2.975
+ 2029TIP3   OH212395  -3.519   0.833  -4.324
+ 2029TIP3    H112396  -3.481   0.749  -4.355
+ 2029TIP3    H212397  -3.576   0.802  -4.251
+ 2030TIP3   OH212398  -3.666   0.786  -4.073
+ 2030TIP3    H112399  -3.612   0.731  -4.015
+ 2030TIP3    H212400  -3.642   0.877  -4.047
+ 2031TIP3   OH212401  -3.987   0.525  -4.043
+ 2031TIP3    H112402  -4.059   0.564  -3.988
+ 2031TIP3    H212403  -3.938   0.605  -4.066
+ 2032TIP3   OH212404  -3.217  -0.225  -3.040
+ 2032TIP3    H112405  -3.152  -0.188  -2.977
+ 2032TIP3    H212406  -3.257  -0.299  -2.990
+ 2033TIP3   OH212407  -3.147  -0.269  -3.922
+ 2033TIP3    H112408  -3.117  -0.216  -3.997
+ 2033TIP3    H212409  -3.100  -0.228  -3.848
+ 2034TIP3   OH212410  -3.374   0.946  -4.023
+ 2034TIP3    H112411  -3.452   1.000  -4.003
+ 2034TIP3    H212412  -3.323   1.006  -4.079
+ 2035TIP3   OH212413  -3.408  -0.076  -3.815
+ 2035TIP3    H112414  -3.328  -0.021  -3.802
+ 2035TIP3    H212415  -3.433  -0.095  -3.722
+ 2036TIP3   OH212416  -3.373   0.008  -2.891
+ 2036TIP3    H112417  -3.355   0.064  -2.815
+ 2036TIP3    H212418  -3.312  -0.066  -2.878
+ 2037TIP3   OH212419  -3.343  -0.376  -3.726
+ 2037TIP3    H112420  -3.360  -0.311  -3.655
+ 2037TIP3    H212421  -3.270  -0.332  -3.773
+ 2038TIP3   OH212422  -3.648   1.066  -4.025
+ 2038TIP3    H112423  -3.645   1.152  -4.072
+ 2038TIP3    H212424  -3.661   1.093  -3.932
+ 2039TIP3   OH212425  -3.773  -0.269  -4.075
+ 2039TIP3    H112426  -3.771  -0.193  -4.014
+ 2039TIP3    H212427  -3.697  -0.321  -4.043
+ 2040TIP3   OH212428  -2.726  -0.206  -2.828
+ 2040TIP3    H112429  -2.806  -0.159  -2.799
+ 2040TIP3    H212430  -2.739  -0.207  -2.924
+ 2041TIP3   OH212431  -2.867   0.199  -3.418
+ 2041TIP3    H112432  -2.962   0.210  -3.401
+ 2041TIP3    H212433  -2.841   0.132  -3.352
+ 2042TIP3   OH212434  -3.934   0.817  -4.153
+ 2042TIP3    H112435  -3.848   0.840  -4.112
+ 2042TIP3    H212436  -3.902   0.770  -4.232
+ 2043TIP3   OH212437  -4.097   0.048  -4.280
+ 2043TIP3    H112438  -4.101   0.130  -4.228
+ 2043TIP3    H212439  -4.189   0.018  -4.283
+ 2044TIP3   OH212440  -2.812   1.094  -3.261
+ 2044TIP3    H112441  -2.802   1.171  -3.320
+ 2044TIP3    H212442  -2.718   1.077  -3.239
+ 2045TIP3   OH212443  -4.030  -0.473  -3.373
+ 2045TIP3    H112444  -4.058  -0.479  -3.466
+ 2045TIP3    H212445  -4.066  -0.556  -3.335
+ 2046TIP3   OH212446  -4.135   0.902  -3.738
+ 2046TIP3    H112447  -4.229   0.925  -3.745
+ 2046TIP3    H212448  -4.102   0.924  -3.826
+ 2047TIP3   OH212449  -4.213   1.166  -2.623
+ 2047TIP3    H112450  -4.149   1.167  -2.549
+ 2047TIP3    H212451  -4.219   1.069  -2.633
+ 2048TIP3   OH212452  -3.722   1.084  -2.453
+ 2048TIP3    H112453  -3.658   1.016  -2.427
+ 2048TIP3    H212454  -3.749   1.051  -2.540
+ 2049TIP3   OH212455  -3.302   1.013  -4.328
+ 2049TIP3    H112456  -3.386   0.962  -4.324
+ 2049TIP3    H212457  -3.242   0.941  -4.353
+ 2050TIP3   OH212458  -3.079   0.908  -2.586
+ 2050TIP3    H112459  -3.118   0.825  -2.553
+ 2050TIP3    H212460  -3.009   0.926  -2.522
+ 2051TIP3   OH212461  -2.797   0.948   4.200
+ 2051TIP3    H112462  -2.865   0.963   4.266
+ 2051TIP3    H212463  -2.729   1.008   4.233
+ 2052TIP3   OH212464  -4.198   0.573  -2.568
+ 2052TIP3    H112465  -4.188   0.479  -2.590
+ 2052TIP3    H212466  -4.291   0.590  -2.590
+ 2053TIP3   OH212467  -3.776   0.591  -4.310
+ 2053TIP3    H112468  -3.760   0.525  -4.241
+ 2053TIP3    H212469  -3.705   0.574  -4.372
+ 2054TIP3   OH212470  -3.542   0.556  -2.582
+ 2054TIP3    H112471  -3.565   0.583  -2.671
+ 2054TIP3    H212472  -3.526   0.460  -2.593
+ 2055TIP3   OH212473  -3.244   0.698  -4.349
+ 2055TIP3    H112474  -3.230   0.706  -4.253
+ 2055TIP3    H212475  -3.180   0.630  -4.374
+ 2056TIP3   OH212476  -3.004   0.519  -2.834
+ 2056TIP3    H112477  -2.926   0.561  -2.873
+ 2056TIP3    H212478  -3.076   0.576  -2.861
+ 2057TIP3   OH212479  -4.134   0.254  -2.595
+ 2057TIP3    H112480  -4.060   0.190  -2.605
+ 2057TIP3    H212481  -4.129   0.267  -2.499
+ 2058TIP3   OH212482  -3.675   0.389  -4.090
+ 2058TIP3    H112483  -3.734   0.342  -4.030
+ 2058TIP3    H212484  -3.638   0.316  -4.143
+ 2059TIP3   OH212485  -3.756   0.161  -2.868
+ 2059TIP3    H112486  -3.797   0.243  -2.834
+ 2059TIP3    H212487  -3.678   0.197  -2.915
+ 2060TIP3   OH212488  -3.554   0.200  -4.277
+ 2060TIP3    H112489  -3.546   0.171  -4.369
+ 2060TIP3    H212490  -3.459   0.196  -4.250
+ 2061TIP3   OH212491  -3.218   0.436  -2.502
+ 2061TIP3    H112492  -3.129   0.417  -2.537
+ 2061TIP3    H212493  -3.243   0.348  -2.469
+ 2062TIP3   OH212494  -3.700  -0.111  -2.741
+ 2062TIP3    H112495  -3.681  -0.176  -2.811
+ 2062TIP3    H212496  -3.707  -0.029  -2.792
+ 2063TIP3   OH212497  -3.656  -0.259  -2.996
+ 2063TIP3    H112498  -3.600  -0.209  -3.059
+ 2063TIP3    H212499  -3.744  -0.257  -3.038
+ 2064TIP3   OH212500  -3.509   0.279  -2.956
+ 2064TIP3    H112501  -3.418   0.265  -2.990
+ 2064TIP3    H212502  -3.528   0.369  -2.988
+ 2065TIP3   OH212503  -2.954   0.370  -2.615
+ 2065TIP3    H112504  -2.971   0.417  -2.700
+ 2065TIP3    H212505  -2.901   0.293  -2.644
+ 2066TIP3   OH212506  -3.885   0.083  -2.581
+ 2066TIP3    H112507  -3.936   0.004  -2.558
+ 2066TIP3    H212508  -3.800   0.046  -2.607
+ 2067TIP3   OH212509  -3.585  -0.529  -2.963
+ 2067TIP3    H112510  -3.601  -0.434  -2.979
+ 2067TIP3    H212511  -3.658  -0.570  -3.015
+ 2068TIP3   OH212512  -3.456  -0.068  -2.580
+ 2068TIP3    H112513  -3.486  -0.095  -2.492
+ 2068TIP3    H212514  -3.534  -0.093  -2.634
+ 2069TIP3   OH212515  -3.207  -0.179  -2.692
+ 2069TIP3    H112516  -3.291  -0.173  -2.645
+ 2069TIP3    H212517  -3.149  -0.225  -2.628
+ 2070TIP3   OH212518  -3.002  -0.334  -2.524
+ 2070TIP3    H112519  -3.040  -0.411  -2.481
+ 2070TIP3    H212520  -2.997  -0.268  -2.453
+ 2071TIP3   OH212521  -4.044  -0.208  -2.584
+ 2071TIP3    H112522  -3.981  -0.266  -2.630
+ 2071TIP3    H212523  -4.031  -0.237  -2.491
+ 2072TIP3   OH212524  -3.599  -0.571  -2.682
+ 2072TIP3    H112525  -3.554  -0.656  -2.671
+ 2072TIP3    H212526  -3.600  -0.563  -2.780
+ 2073TIP3   OH212527  -3.503  -0.391  -2.497
+ 2073TIP3    H112528  -3.534  -0.452  -2.567
+ 2073TIP3    H212529  -3.578  -0.329  -2.490
+ 2074TIP3   OH212530  -3.596   1.315  -4.170
+ 2074TIP3    H112531  -3.499   1.321  -4.164
+ 2074TIP3    H212532  -3.617   1.373  -4.245
+ 2075TIP3   OH212533  -4.190   0.760  -4.236
+ 2075TIP3    H112534  -4.104   0.777  -4.192
+ 2075TIP3    H212535  -4.176   0.674  -4.276
+ 2076TIP3   OH212536  -4.277   1.088  -3.525
+ 2076TIP3    H112537  -4.269   0.995  -3.499
+ 2076TIP3    H212538  -4.243   1.133  -3.446
+ 2077TIP3   OH212539  -2.518   1.207  -3.217
+ 2077TIP3    H112540  -2.497   1.192  -3.124
+ 2077TIP3    H212541  -2.431   1.228  -3.254
+ 2078TIP3   OH212542  -2.527   1.143  -2.934
+ 2078TIP3    H112543  -2.576   1.066  -2.969
+ 2078TIP3    H212544  -2.473   1.099  -2.867
+ 2079TIP3   OH212545  -2.725   0.688  -2.507
+ 2079TIP3    H112546  -2.812   0.687  -2.466
+ 2079TIP3    H212547  -2.681   0.765  -2.468
+ 2080TIP3   OH212548  -2.587   0.570  -3.929
+ 2080TIP3    H112549  -2.496   0.603  -3.915
+ 2080TIP3    H212550  -2.593   0.505  -3.857
+ 2081TIP3   OH212551  -2.542   0.368  -3.732
+ 2081TIP3    H112552  -2.610   0.313  -3.688
+ 2081TIP3    H212553  -2.476   0.382  -3.661
+ 2082TIP3   OH212554  -2.573   0.629  -3.234
+ 2082TIP3    H112555  -2.516   0.570  -3.286
+ 2082TIP3    H212556  -2.548   0.717  -3.265
+ 2083TIP3   OH212557  -2.692   0.923  -3.021
+ 2083TIP3    H112558  -2.760   0.943  -2.955
+ 2083TIP3    H212559  -2.743   0.871  -3.087
+ 2084TIP3   OH212560  -2.510   0.339  -4.109
+ 2084TIP3    H112561  -2.574   0.366  -4.176
+ 2084TIP3    H212562  -2.531   0.402  -4.038
+ 2085TIP3   OH212563  -2.689   0.078  -4.212
+ 2085TIP3    H112564  -2.661   0.149  -4.273
+ 2085TIP3    H212565  -2.660  -0.001  -4.258
+ 2086TIP3   OH212566  -2.741   0.181  -3.651
+ 2086TIP3    H112567  -2.757   0.086  -3.661
+ 2086TIP3    H212568  -2.780   0.196  -3.560
+ 2087TIP3   OH212569  -4.232   0.479  -3.241
+ 2087TIP3    H112570  -4.242   0.454  -3.334
+ 2087TIP3    H212571  -4.176   0.405  -3.208
+ 2088TIP3   OH212572  -2.672   0.386  -2.774
+ 2088TIP3    H112573  -2.629   0.310  -2.729
+ 2088TIP3    H212574  -2.629   0.462  -2.734
+ 2089TIP3   OH212575  -2.553   0.185  -2.632
+ 2089TIP3    H112576  -2.635   0.131  -2.625
+ 2089TIP3    H212577  -2.484   0.117  -2.623
+ 2090TIP3   OH212578  -2.768  -0.222  -4.323
+ 2090TIP3    H112579  -2.708  -0.268  -4.262
+ 2090TIP3    H212580  -2.848  -0.277  -4.321
+ 2091TIP3   OH212581  -2.768  -0.060  -3.839
+ 2091TIP3    H112582  -2.741  -0.154  -3.829
+ 2091TIP3    H212583  -2.686  -0.021  -3.871
+ 2092TIP3   OH212584  -2.736  -0.015  -3.287
+ 2092TIP3    H112585  -2.641   0.007  -3.288
+ 2092TIP3    H212586  -2.756   0.001  -3.193
+ 2093TIP3   OH212587  -2.722   0.062  -3.014
+ 2093TIP3    H112588  -2.803   0.094  -2.969
+ 2093TIP3    H212589  -2.673   0.146  -3.023
+ 2094TIP3   OH212590  -4.294  -0.077  -2.661
+ 2094TIP3    H112591  -4.203  -0.107  -2.640
+ 2094TIP3    H212592  -4.351  -0.124  -2.600
+ 2095TIP3   OH212593  -2.453  -0.518  -2.477
+ 2095TIP3    H112594  -2.427  -0.584  -2.544
+ 2095TIP3    H212595  -2.467  -0.438  -2.531
+ 2096TIP3   OH212596  -2.714  -0.338  -3.831
+ 2096TIP3    H112597  -2.705  -0.371  -3.740
+ 2096TIP3    H212598  -2.790  -0.389  -3.863
+ 2097TIP3   OH212599  -4.196  -0.214  -3.327
+ 2097TIP3    H112600  -4.162  -0.305  -3.331
+ 2097TIP3    H212601  -4.115  -0.162  -3.315
+ 2098TIP3   OH212602  -4.327   0.050  -3.241
+ 2098TIP3    H112603  -4.300  -0.014  -3.309
+ 2098TIP3    H212604  -4.291   0.131  -3.278
+ 2099TIP3   OH212605  -2.542  -0.315  -2.641
+ 2099TIP3    H112606  -2.624  -0.264  -2.645
+ 2099TIP3    H212607  -2.549  -0.361  -2.727
+ 2100TIP3   OH212608  -2.512  -0.299  -4.176
+ 2100TIP3    H112609  -2.485  -0.370  -4.235
+ 2100TIP3    H212610  -2.431  -0.247  -4.168
+ 2101TIP3   OH212611  -4.315  -0.338  -3.895
+ 2101TIP3    H112612  -4.400  -0.314  -3.935
+ 2101TIP3    H212613  -4.257  -0.267  -3.927
+ 2102TIP3   OH212614  -2.830   1.197  -3.649
+ 2102TIP3    H112615  -2.772   1.172  -3.723
+ 2102TIP3    H212616  -2.768   1.244  -3.592
+ 2103TIP3   OH212617  -4.295  -0.423  -3.053
+ 2103TIP3    H112618  -4.363  -0.458  -2.993
+ 2103TIP3    H212619  -4.340  -0.410  -3.137
+ 2104TIP3   OH212620  -4.114   0.900  -2.599
+ 2104TIP3    H112621  -4.185   0.847  -2.637
+ 2104TIP3    H212622  -4.122   0.870  -2.505
+ 2105TIP3   OH212623  -3.807   0.972  -3.002
+ 2105TIP3    H112624  -3.831   1.060  -3.035
+ 2105TIP3    H212625  -3.710   0.977  -3.016
+ 2106TIP3   OH212626  -3.354   1.109  -2.696
+ 2106TIP3    H112627  -3.342   1.085  -2.602
+ 2106TIP3    H212628  -3.266   1.143  -2.719
+ 2107TIP3   OH212629  -3.115   1.237  -2.789
+ 2107TIP3    H112630  -3.048   1.168  -2.782
+ 2107TIP3    H212631  -3.098   1.286  -2.706
+ 2108TIP3   OH212632  -2.628  -0.498  -2.860
+ 2108TIP3    H112633  -2.708  -0.460  -2.899
+ 2108TIP3    H212634  -2.625  -0.587  -2.899
+ 2109TIP3   OH212635  -4.077   1.269  -2.974
+ 2109TIP3    H112636  -4.140   1.326  -3.021
+ 2109TIP3    H212637  -4.098   1.289  -2.882
+ 2110TIP3   OH212638  -3.819   1.245  -3.110
+ 2110TIP3    H112639  -3.905   1.267  -3.069
+ 2110TIP3    H212640  -3.814   1.312  -3.181
+ 2111TIP3   OH212641  -3.291   1.234  -3.152
+ 2111TIP3    H112642  -3.348   1.270  -3.222
+ 2111TIP3    H212643  -3.304   1.302  -3.083
+ 2112TIP3   OH212644  -2.895   1.275  -3.063
+ 2112TIP3    H112645  -2.889   1.373  -3.062
+ 2112TIP3    H212646  -2.827   1.255  -3.131
+ 2113TIP3   OH212647  -4.128   1.152  -3.281
+ 2113TIP3    H112648  -4.137   1.110  -3.194
+ 2113TIP3    H212649  -4.047   1.109  -3.316
+ 2114TIP3   OH212650  -3.911   1.029  -3.420
+ 2114TIP3    H112651  -3.921   0.934  -3.405
+ 2114TIP3    H212652  -3.818   1.044  -3.394
+ 2115TIP3   OH212653  -3.627   1.070  -3.339
+ 2115TIP3    H112654  -3.610   0.978  -3.366
+ 2115TIP3    H212655  -3.623   1.061  -3.243
+ 2116TIP3   OH212656  -3.298  -0.342  -3.413
+ 2116TIP3    H112657  -3.367  -0.409  -3.397
+ 2116TIP3    H212658  -3.235  -0.390  -3.469
+ 2117TIP3   OH212659  -2.801  -0.548  -3.369
+ 2117TIP3    H112660  -2.727  -0.495  -3.402
+ 2117TIP3    H212661  -2.877  -0.506  -3.413
+ 2118TIP3   OH212662  -2.592  -0.431  -3.576
+ 2118TIP3    H112663  -2.520  -0.467  -3.630
+ 2118TIP3    H212664  -2.565  -0.338  -3.565
+ 2119TIP3   OH212665  -4.105  -0.482  -3.657
+ 2119TIP3    H112666  -4.181  -0.513  -3.709
+ 2119TIP3    H212667  -4.045  -0.559  -3.665
+ 2120TIP3   OH212668  -4.179  -0.515  -4.082
+ 2120TIP3    H112669  -4.130  -0.448  -4.133
+ 2120TIP3    H212670  -4.230  -0.461  -4.020
+ 2121TIP3   OH212671  -3.615  -0.486  -3.665
+ 2121TIP3    H112672  -3.525  -0.454  -3.679
+ 2121TIP3    H212673  -3.616  -0.496  -3.568
+ 2122TIP3   OH212674  -3.056  -0.483  -3.525
+ 2122TIP3    H112675  -3.030  -0.497  -3.617
+ 2122TIP3    H212676  -3.094  -0.570  -3.500
+ 2123TIP3   OH212677  -2.948  -0.485  -3.922
+ 2123TIP3    H112678  -3.027  -0.436  -3.950
+ 2123TIP3    H212679  -2.984  -0.576  -3.918
+ 2124TIP3   OH212680  -4.188   1.083  -3.975
+ 2124TIP3    H112681  -4.256   1.069  -4.041
+ 2124TIP3    H212682  -4.181   1.179  -3.974
+ 2125TIP3   OH212683  -4.010  -0.334  -4.231
+ 2125TIP3    H112684  -3.962  -0.400  -4.282
+ 2125TIP3    H212685  -3.939  -0.296  -4.176
+ 2126TIP3   OH212686  -3.503  -0.323  -3.959
+ 2126TIP3    H112687  -3.463  -0.377  -3.889
+ 2126TIP3    H212688  -3.477  -0.235  -3.927
+ 2127TIP3   OH212689  -3.316   1.242  -4.156
+ 2127TIP3    H112690  -3.226   1.276  -4.154
+ 2127TIP3    H212691  -3.313   1.178  -4.230
+ 2128TIP3   OH212692  -2.643   1.159  -3.881
+ 2128TIP3    H112693  -2.661   1.073  -3.925
+ 2128TIP3    H212694  -2.656   1.222  -3.955
+ 2129TIP3   OH212695  -3.863  -0.500  -2.541
+ 2129TIP3    H112696  -3.782  -0.537  -2.579
+ 2129TIP3    H212697  -3.902  -0.579  -2.499
+ 2130TIP3   OH212698  -3.977   1.181  -4.243
+ 2130TIP3    H112699  -4.013   1.209  -4.159
+ 2130TIP3    H212700  -3.914   1.113  -4.219
+ 2131TIP3   OH212701  -3.035  -0.618  -2.515
+ 2131TIP3    H112702  -3.028  -0.644  -2.421
+ 2131TIP3    H212703  -2.944  -0.592  -2.536
+ 2132TIP3   OH212704  -2.694   1.039  -2.642
+ 2132TIP3    H112705  -2.767   1.017  -2.702
+ 2132TIP3    H212706  -2.715   1.132  -2.620
+ 2133TIP3   OH212707  -1.274   0.404  -3.628
+ 2133TIP3    H112708  -1.276   0.500  -3.616
+ 2133TIP3    H212709  -1.352   0.391  -3.684
+ 2134TIP3   OH212710  -1.390   0.349  -3.319
+ 2134TIP3    H112711  -1.390   0.293  -3.240
+ 2134TIP3    H212712  -1.417   0.286  -3.388
+ 2135TIP3   OH212713  -2.141   0.307  -3.155
+ 2135TIP3    H112714  -2.146   0.232  -3.093
+ 2135TIP3    H212715  -2.073   0.361  -3.112
+ 2136TIP3   OH212716  -1.022   0.623  -3.488
+ 2136TIP3    H112717  -1.058   0.551  -3.435
+ 2136TIP3    H212718  -0.991   0.683  -3.419
+ 2137TIP3   OH212719  -2.076   0.772  -3.304
+ 2137TIP3    H112720  -2.101   0.680  -3.328
+ 2137TIP3    H212721  -1.984   0.758  -3.279
+ 2138TIP3   OH212722  -2.375   0.114  -3.765
+ 2138TIP3    H112723  -2.420   0.199  -3.752
+ 2138TIP3    H212724  -2.446   0.061  -3.802
+ 2139TIP3   OH212725  -2.295   0.359  -3.577
+ 2139TIP3    H112726  -2.283   0.274  -3.530
+ 2139TIP3    H212727  -2.212   0.364  -3.627
+ 2140TIP3   OH212728  -1.313   1.160  -3.427
+ 2140TIP3    H112729  -1.257   1.090  -3.466
+ 2140TIP3    H212730  -1.343   1.118  -3.345
+ 2141TIP3   OH212731  -1.540   0.601  -3.264
+ 2141TIP3    H112732  -1.510   0.528  -3.320
+ 2141TIP3    H212733  -1.459   0.614  -3.211
+ 2142TIP3   OH212734  -0.675  -0.247  -3.201
+ 2142TIP3    H112735  -0.651  -0.189  -3.127
+ 2142TIP3    H212736  -0.612  -0.218  -3.269
+ 2143TIP3   OH212737  -1.210   0.034  -3.213
+ 2143TIP3    H112738  -1.198  -0.062  -3.205
+ 2143TIP3    H212739  -1.221   0.044  -3.309
+ 2144TIP3   OH212740  -1.912  -0.166  -3.506
+ 2144TIP3    H112741  -1.900  -0.080  -3.550
+ 2144TIP3    H212742  -1.951  -0.218  -3.579
+ 2145TIP3   OH212743  -1.130  -0.152  -3.675
+ 2145TIP3    H112744  -1.074  -0.194  -3.608
+ 2145TIP3    H212745  -1.064  -0.106  -3.729
+ 2146TIP3   OH212746  -2.243   0.111  -3.455
+ 2146TIP3    H112747  -2.184   0.061  -3.396
+ 2146TIP3    H212748  -2.237   0.058  -3.537
+ 2147TIP3   OH212749  -1.705   0.246  -3.509
+ 2147TIP3    H112750  -1.636   0.191  -3.469
+ 2147TIP3    H212751  -1.757   0.179  -3.558
+ 2148TIP3   OH212752  -0.602  -0.111  -2.952
+ 2148TIP3    H112753  -0.663  -0.040  -2.978
+ 2148TIP3    H212754  -0.618  -0.115  -2.857
+ 2149TIP3   OH212755  -2.033  -0.288  -3.090
+ 2149TIP3    H112756  -2.074  -0.235  -3.160
+ 2149TIP3    H212757  -2.098  -0.275  -3.018
+ 2150TIP3   OH212758  -1.283   0.691  -3.750
+ 2150TIP3    H112759  -1.317   0.665  -3.836
+ 2150TIP3    H212760  -1.331   0.774  -3.733
+ 2151TIP3   OH212761  -1.739   0.502  -3.076
+ 2151TIP3    H112762  -1.814   0.560  -3.051
+ 2151TIP3    H212763  -1.679   0.564  -3.121
+ 2152TIP3   OH212764  -0.945  -0.224  -3.470
+ 2152TIP3    H112765  -0.987  -0.283  -3.405
+ 2152TIP3    H212766  -0.894  -0.165  -3.412
+ 2153TIP3   OH212767  -2.073  -0.082  -3.295
+ 2153TIP3    H112768  -2.009  -0.025  -3.248
+ 2153TIP3    H212769  -2.016  -0.119  -3.365
+ 2154TIP3   OH212770  -1.940   0.689  -3.003
+ 2154TIP3    H112771  -1.947   0.782  -3.033
+ 2154TIP3    H212772  -2.027   0.679  -2.961
+ 2155TIP3   OH212773  -2.309   0.659  -3.919
+ 2155TIP3    H112774  -2.332   0.702  -4.004
+ 2155TIP3    H212775  -2.296   0.734  -3.858
+ 2156TIP3   OH212776  -0.965   0.804  -3.236
+ 2156TIP3    H112777  -1.062   0.815  -3.236
+ 2156TIP3    H212778  -0.937   0.889  -3.276
+ 2157TIP3   OH212779  -0.933  -0.310  -3.085
+ 2157TIP3    H112780  -1.010  -0.270  -3.130
+ 2157TIP3    H212781  -0.860  -0.290  -3.148
+ 2158TIP3   OH212782  -1.620  -0.537  -3.381
+ 2158TIP3    H112783  -1.642  -0.632  -3.384
+ 2158TIP3    H212784  -1.702  -0.499  -3.343
+ 2159TIP3   OH212785  -1.137   0.999  -3.581
+ 2159TIP3    H112786  -1.090   0.919  -3.612
+ 2159TIP3    H212787  -1.067   1.067  -3.594
+ 2160TIP3   OH212788  -0.991   0.786  -3.719
+ 2160TIP3    H112789  -1.041   0.739  -3.788
+ 2160TIP3    H212790  -0.996   0.721  -3.646
+ 2161TIP3   OH212791  -0.840   0.670  -2.871
+ 2161TIP3    H112792  -0.847   0.600  -2.939
+ 2161TIP3    H212793  -0.821   0.749  -2.925
+ 2162TIP3   OH212794  -1.406   0.355  -3.905
+ 2162TIP3    H112795  -1.474   0.416  -3.940
+ 2162TIP3    H212796  -1.334   0.364  -3.970
+ 2163TIP3   OH212797  -1.389   0.180  -4.207
+ 2163TIP3    H112798  -1.321   0.210  -4.144
+ 2163TIP3    H212799  -1.335   0.118  -4.262
+ 2164TIP3   OH212800  -0.659   0.284  -3.076
+ 2164TIP3    H112801  -0.732   0.348  -3.066
+ 2164TIP3    H212802  -0.613   0.319  -3.155
+ 2165TIP3   OH212803  -1.058   0.357  -3.794
+ 2165TIP3    H112804  -1.127   0.377  -3.727
+ 2165TIP3    H212805  -0.999   0.299  -3.742
+ 2166TIP3   OH212806  -1.074   0.211  -2.908
+ 2166TIP3    H112807  -1.068   0.293  -2.857
+ 2166TIP3    H212808  -1.140   0.238  -2.974
+ 2167TIP3   OH212809  -1.897   0.435  -3.617
+ 2167TIP3    H112810  -1.930   0.390  -3.698
+ 2167TIP3    H212811  -1.835   0.369  -3.582
+ 2168TIP3   OH212812  -1.760   0.777  -3.343
+ 2168TIP3    H112813  -1.775   0.734  -3.429
+ 2168TIP3    H212814  -1.682   0.728  -3.310
+ 2169TIP3   OH212815  -1.840   0.315  -3.268
+ 2169TIP3    H112816  -1.781   0.318  -3.346
+ 2169TIP3    H212817  -1.799   0.381  -3.208
+ 2170TIP3   OH212818  -1.248   0.871  -3.206
+ 2170TIP3    H112819  -1.242   0.930  -3.130
+ 2170TIP3    H212820  -1.269   0.785  -3.167
+ 2171TIP3   OH212821  -1.749   0.756  -2.789
+ 2171TIP3    H112822  -1.807   0.812  -2.735
+ 2171TIP3    H212823  -1.812   0.720  -2.854
+ 2172TIP3   OH212824  -1.151   0.303  -4.057
+ 2172TIP3    H112825  -1.109   0.329  -3.972
+ 2172TIP3    H212826  -1.090   0.345  -4.121
+ 2173TIP3   OH212827  -2.066   0.391  -2.875
+ 2173TIP3    H112828  -2.061   0.440  -2.792
+ 2173TIP3    H212829  -2.161   0.369  -2.880
+ 2174TIP3   OH212830  -1.419   0.962  -3.695
+ 2174TIP3    H112831  -1.367   0.987  -3.619
+ 2174TIP3    H212832  -1.465   1.043  -3.719
+ 2175TIP3   OH212833  -1.947   0.969  -2.699
+ 2175TIP3    H112834  -1.957   0.967  -2.796
+ 2175TIP3    H212835  -2.035   0.939  -2.669
+ 2176TIP3   OH212836  -0.809  -0.535  -4.078
+ 2176TIP3    H112837  -0.904  -0.523  -4.055
+ 2176TIP3    H212838  -0.784  -0.444  -4.100
+ 2177TIP3   OH212839  -2.005   0.308  -3.863
+ 2177TIP3    H112840  -2.031   0.383  -3.920
+ 2177TIP3    H212841  -2.073   0.243  -3.886
+ 2178TIP3   OH212842  -0.705   0.895  -4.242
+ 2178TIP3    H112843  -0.672   0.983  -4.218
+ 2178TIP3    H212844  -0.626   0.839  -4.239
+ 2179TIP3   OH212845  -2.399   0.575  -2.990
+ 2179TIP3    H112846  -2.445   0.571  -3.076
+ 2179TIP3    H212847  -2.388   0.479  -2.971
+ 2180TIP3   OH212848  -2.395   0.872  -3.297
+ 2180TIP3    H112849  -2.306   0.835  -3.294
+ 2180TIP3    H212850  -2.397   0.925  -3.217
+ 2181TIP3   OH212851  -0.558   0.929  -2.722
+ 2181TIP3    H112852  -0.567   0.834  -2.738
+ 2181TIP3    H212853  -0.649   0.951  -2.691
+ 2182TIP3   OH212854  -1.494   0.884  -2.826
+ 2182TIP3    H112855  -1.490   0.955  -2.761
+ 2182TIP3    H212856  -1.580   0.842  -2.806
+ 2183TIP3   OH212857  -1.462   1.232  -3.846
+ 2183TIP3    H112858  -1.462   1.242  -3.943
+ 2183TIP3    H212859  -1.456   1.324  -3.815
+ 2184TIP3   OH212860  -2.085   1.147  -3.680
+ 2184TIP3    H112861  -2.066   1.102  -3.595
+ 2184TIP3    H212862  -2.166   1.102  -3.705
+ 2185TIP3   OH212863  -1.137   1.189  -4.146
+ 2185TIP3    H112864  -1.091   1.131  -4.210
+ 2185TIP3    H212865  -1.129   1.137  -4.065
+ 2186TIP3   OH212866  -1.189   1.124  -3.860
+ 2186TIP3    H112867  -1.283   1.136  -3.841
+ 2186TIP3    H212868  -1.167   1.051  -3.799
+ 2187TIP3   OH212869  -0.878   0.068  -2.674
+ 2187TIP3    H112870  -0.930   0.103  -2.747
+ 2187TIP3    H212871  -0.874  -0.027  -2.695
+ 2188TIP3   OH212872  -2.182   0.732  -2.863
+ 2188TIP3    H112873  -2.153   0.682  -2.784
+ 2188TIP3    H212874  -2.255   0.677  -2.897
+ 2189TIP3   OH212875  -1.862  -0.422  -3.289
+ 2189TIP3    H112876  -1.945  -0.429  -3.339
+ 2189TIP3    H212877  -1.885  -0.351  -3.228
+ 2190TIP3   OH212878  -1.424  -0.467  -2.927
+ 2190TIP3    H112879  -1.372  -0.516  -2.861
+ 2190TIP3    H212880  -1.515  -0.498  -2.911
+ 2191TIP3   OH212881  -1.110  -0.085  -2.873
+ 2191TIP3    H112882  -1.169  -0.102  -2.798
+ 2191TIP3    H212883  -1.117   0.012  -2.885
+ 2192TIP3   OH212884  -0.926   0.383  -4.252
+ 2192TIP3    H112885  -0.976   0.369  -4.334
+ 2192TIP3    H212886  -0.897   0.474  -4.266
+ 2193TIP3   OH212887  -1.442  -0.226  -4.216
+ 2193TIP3    H112888  -1.497  -0.222  -4.136
+ 2193TIP3    H212889  -1.487  -0.295  -4.266
+ 2194TIP3   OH212890  -1.876   0.056  -3.148
+ 2194TIP3    H112891  -1.934   0.065  -3.071
+ 2194TIP3    H212892  -1.871   0.147  -3.183
+ 2195TIP3   OH212893  -1.882   0.065  -3.661
+ 2195TIP3    H112894  -1.978   0.053  -3.675
+ 2195TIP3    H212895  -1.848   0.043  -3.750
+ 2196TIP3   OH212896  -1.314   0.118  -3.786
+ 2196TIP3    H112897  -1.355   0.201  -3.818
+ 2196TIP3    H212898  -1.250   0.098  -3.857
+ 2197TIP3   OH212899  -1.402   0.140  -2.647
+ 2197TIP3    H112900  -1.453   0.065  -2.610
+ 2197TIP3    H212901  -1.316   0.127  -2.603
+ 2198TIP3   OH212902  -1.235   0.059  -3.506
+ 2198TIP3    H112903  -1.263   0.116  -3.580
+ 2198TIP3    H212904  -1.215  -0.023  -3.556
+ 2199TIP3   OH212905  -2.138   0.072  -2.966
+ 2199TIP3    H112906  -2.118   0.102  -2.876
+ 2199TIP3    H212907  -2.178  -0.014  -2.948
+ 2200TIP3   OH212908  -1.766  -0.187  -4.313
+ 2200TIP3    H112909  -1.802  -0.213  -4.226
+ 2200TIP3    H212910  -1.842  -0.136  -4.349
+ 2201TIP3   OH212911  -2.453  -0.176  -3.604
+ 2201TIP3    H112912  -2.396  -0.184  -3.525
+ 2201TIP3    H212913  -2.404  -0.223  -3.673
+ 2202TIP3   OH212914  -2.300  -0.138  -4.039
+ 2202TIP3    H112915  -2.244  -0.088  -4.102
+ 2202TIP3    H212916  -2.368  -0.071  -4.017
+ 2203TIP3   OH212917  -1.324   0.228  -3.057
+ 2203TIP3    H112918  -1.281   0.155  -3.108
+ 2203TIP3    H212919  -1.360   0.178  -2.982
+ 2204TIP3   OH212920  -1.605  -0.178  -3.558
+ 2204TIP3    H112921  -1.700  -0.181  -3.535
+ 2204TIP3    H212922  -1.564  -0.197  -3.472
+ 2205TIP3   OH212923  -2.145  -0.054  -3.692
+ 2205TIP3    H112924  -2.230  -0.029  -3.733
+ 2205TIP3    H212925  -2.119  -0.135  -3.741
+ 2206TIP3   OH212926  -1.787  -0.017  -3.923
+ 2206TIP3    H112927  -1.690  -0.010  -3.916
+ 2206TIP3    H212928  -1.810   0.043  -3.996
+ 2207TIP3   OH212929  -1.166  -0.263  -3.257
+ 2207TIP3    H112930  -1.228  -0.263  -3.181
+ 2207TIP3    H212931  -1.225  -0.297  -3.326
+ 2208TIP3   OH212932  -1.929   0.100  -4.159
+ 2208TIP3    H112933  -1.991   0.048  -4.213
+ 2208TIP3    H212934  -1.854   0.113  -4.218
+ 2209TIP3   OH212935  -0.871   1.321  -2.589
+ 2209TIP3    H112936  -0.840   1.358  -2.673
+ 2209TIP3    H212937  -0.797   1.343  -2.530
+ 2210TIP3   OH212938  -2.071   0.583  -2.644
+ 2210TIP3    H112939  -2.008   0.583  -2.569
+ 2210TIP3    H212940  -2.154   0.569  -2.595
+ 2211TIP3   OH212941  -1.503   0.078  -3.375
+ 2211TIP3    H112942  -1.430   0.032  -3.420
+ 2211TIP3    H212943  -1.521   0.017  -3.300
+ 2212TIP3   OH212944  -1.972  -0.282  -3.765
+ 2212TIP3    H112945  -2.028  -0.359  -3.746
+ 2212TIP3    H212946  -1.889  -0.323  -3.793
+ 2213TIP3   OH212947  -1.605  -0.075  -3.152
+ 2213TIP3    H112948  -1.684  -0.019  -3.147
+ 2213TIP3    H212949  -1.557  -0.052  -3.070
+ 2214TIP3   OH212950  -1.592   0.562  -3.961
+ 2214TIP3    H112951  -1.668   0.511  -3.995
+ 2214TIP3    H212952  -1.611   0.566  -3.864
+ 2215TIP3   OH212953  -0.870   0.479  -3.087
+ 2215TIP3    H112954  -0.820   0.532  -3.152
+ 2215TIP3    H212955  -0.955   0.466  -3.132
+ 2216TIP3   OH212956  -1.176  -0.160  -4.185
+ 2216TIP3    H112957  -1.274  -0.164  -4.185
+ 2216TIP3    H212958  -1.155  -0.085  -4.126
+ 2217TIP3   OH212959  -1.425   0.575  -2.829
+ 2217TIP3    H112960  -1.455   0.529  -2.749
+ 2217TIP3    H212961  -1.466   0.662  -2.820
+ 2218TIP3   OH212962  -1.115   0.024  -3.988
+ 2218TIP3    H112963  -1.029   0.006  -3.946
+ 2218TIP3    H212964  -1.100   0.111  -4.029
+ 2219TIP3   OH212965  -2.075   0.503  -3.377
+ 2219TIP3    H112966  -2.022   0.488  -3.457
+ 2219TIP3    H212967  -2.071   0.417  -3.333
+ 2220TIP3   OH212968  -1.348   0.696  -4.069
+ 2220TIP3    H112969  -1.377   0.784  -4.037
+ 2220TIP3    H212970  -1.425   0.642  -4.042
+ 2221TIP3   OH212971  -2.348   0.326  -2.852
+ 2221TIP3    H112972  -2.341   0.282  -2.765
+ 2221TIP3    H212973  -2.420   0.275  -2.894
+ 2222TIP3   OH212974  -1.653   0.285  -2.656
+ 2222TIP3    H112975  -1.689   0.252  -2.740
+ 2222TIP3    H212976  -1.562   0.249  -2.661
+ 2223TIP3   OH212977  -1.201   0.836  -2.885
+ 2223TIP3    H112978  -1.298   0.836  -2.886
+ 2223TIP3    H212979  -1.182   0.843  -2.790
+ 2224TIP3   OH212980  -0.642   0.033  -3.999
+ 2224TIP3    H112981  -0.706   0.015  -4.071
+ 2224TIP3    H212982  -0.632   0.128  -4.016
+ 2225TIP3   OH212983  -0.604   0.636  -2.727
+ 2225TIP3    H112984  -0.699   0.653  -2.744
+ 2225TIP3    H212985  -0.572   0.613  -2.816
+ 2226TIP3   OH212986  -0.823   0.889  -3.990
+ 2226TIP3    H112987  -0.849   0.809  -3.942
+ 2226TIP3    H212988  -0.787   0.854  -4.073
+ 2227TIP3   OH212989  -1.104   0.423  -3.258
+ 2227TIP3    H112990  -1.197   0.404  -3.280
+ 2227TIP3    H212991  -1.060   0.349  -3.305
+ 2228TIP3   OH212992  -1.840   0.829  -3.653
+ 2228TIP3    H112993  -1.799   0.916  -3.666
+ 2228TIP3    H212994  -1.932   0.847  -3.676
+ 2229TIP3   OH212995  -2.233   0.320  -4.200
+ 2229TIP3    H112996  -2.179   0.386  -4.151
+ 2229TIP3    H212997  -2.323   0.340  -4.168
+ 2230TIP3   OH212998  -1.657   0.599  -3.690
+ 2230TIP3    H112999  -1.690   0.689  -3.675
+ 2230TIP3    H213000  -1.727   0.547  -3.648
+ 2231TIP3   OH213001  -1.639   1.022  -3.052
+ 2231TIP3    H113002  -1.582   1.094  -3.085
+ 2231TIP3    H213003  -1.577   0.973  -2.996
+ 2232TIP3   OH213004  -1.796   1.120  -3.733
+ 2232TIP3    H113005  -1.892   1.133  -3.724
+ 2232TIP3    H213006  -1.761   1.207  -3.708
+ 2233TIP3   OH213007  -1.299   0.602  -3.097
+ 2233TIP3    H113008  -1.330   0.572  -3.010
+ 2233TIP3    H213009  -1.227   0.539  -3.116
+ 2234TIP3   OH213010  -1.089   0.716  -4.196
+ 2234TIP3    H113011  -1.036   0.678  -4.124
+ 2234TIP3    H213012  -1.177   0.713  -4.155
+ 2235TIP3   OH213013  -1.010   1.062  -2.853
+ 2235TIP3    H113014  -1.083   1.013  -2.895
+ 2235TIP3    H213015  -1.000   1.139  -2.913
+ 2236TIP3   OH213016  -0.591   1.171  -4.139
+ 2236TIP3    H113017  -0.524   1.242  -4.145
+ 2236TIP3    H213018  -0.673   1.225  -4.131
+ 2237TIP3   OH213019  -2.220  -0.209  -2.894
+ 2237TIP3    H113020  -2.311  -0.178  -2.911
+ 2237TIP3    H213021  -2.236  -0.293  -2.847
+ 2238TIP3   OH213022  -0.985   0.588  -3.967
+ 2238TIP3    H113023  -1.012   0.517  -3.905
+ 2238TIP3    H213024  -0.888   0.585  -3.959
+ 2239TIP3   OH213025  -2.245   0.969  -3.050
+ 2239TIP3    H113026  -2.218   0.877  -3.035
+ 2239TIP3    H213027  -2.222   1.007  -2.965
+ 2240TIP3   OH213028  -1.635   0.832  -4.326
+ 2240TIP3    H113029  -1.596   0.748  -4.355
+ 2240TIP3    H213030  -1.691   0.802  -4.251
+ 2241TIP3   OH213031  -1.781   0.787  -4.074
+ 2241TIP3    H113032  -1.727   0.733  -4.014
+ 2241TIP3    H213033  -1.757   0.878  -4.047
+ 2242TIP3   OH213034  -2.092   0.523  -4.037
+ 2242TIP3    H113035  -2.168   0.564  -3.989
+ 2242TIP3    H213036  -2.045   0.603  -4.067
+ 2243TIP3   OH213037  -1.322  -0.224  -3.037
+ 2243TIP3    H113038  -1.263  -0.196  -2.966
+ 2243TIP3    H213039  -1.373  -0.297  -2.995
+ 2244TIP3   OH213040  -1.263  -0.269  -3.921
+ 2244TIP3    H113041  -1.233  -0.218  -3.998
+ 2244TIP3    H213042  -1.214  -0.227  -3.849
+ 2245TIP3   OH213043  -1.483   0.946  -4.027
+ 2245TIP3    H113044  -1.561   0.998  -4.003
+ 2245TIP3    H213045  -1.431   1.011  -4.076
+ 2246TIP3   OH213046  -1.520  -0.076  -3.815
+ 2246TIP3    H113047  -1.441  -0.020  -3.800
+ 2246TIP3    H213048  -1.549  -0.095  -3.724
+ 2247TIP3   OH213049  -1.478   0.013  -2.901
+ 2247TIP3    H113050  -1.477   0.063  -2.817
+ 2247TIP3    H213051  -1.429  -0.066  -2.875
+ 2248TIP3   OH213052  -1.457  -0.376  -3.724
+ 2248TIP3    H113053  -1.477  -0.308  -3.656
+ 2248TIP3    H213054  -1.386  -0.331  -3.774
+ 2249TIP3   OH213055  -1.763   1.065  -4.025
+ 2249TIP3    H113056  -1.759   1.151  -4.073
+ 2249TIP3    H213057  -1.776   1.093  -3.932
+ 2250TIP3   OH213058  -1.885  -0.269  -4.081
+ 2250TIP3    H113059  -1.894  -0.199  -4.013
+ 2250TIP3    H213060  -1.811  -0.321  -4.044
+ 2251TIP3   OH213061  -0.856  -0.185  -2.811
+ 2251TIP3    H113062  -0.952  -0.173  -2.826
+ 2251TIP3    H213063  -0.830  -0.210  -2.901
+ 2252TIP3   OH213064  -1.003   0.197  -3.409
+ 2252TIP3    H113065  -1.086   0.151  -3.434
+ 2252TIP3    H213066  -0.955   0.126  -3.361
+ 2253TIP3   OH213067  -2.051   0.823  -4.158
+ 2253TIP3    H113068  -1.968   0.847  -4.114
+ 2253TIP3    H213069  -2.016   0.769  -4.231
+ 2254TIP3   OH213070  -2.225   0.038  -4.258
+ 2254TIP3    H113071  -2.213   0.133  -4.239
+ 2254TIP3    H213072  -2.317   0.036  -4.289
+ 2255TIP3   OH213073  -0.905   1.085  -3.267
+ 2255TIP3    H113074  -0.918   1.166  -3.320
+ 2255TIP3    H213075  -0.811   1.095  -3.244
+ 2256TIP3   OH213076  -2.137  -0.469  -3.371
+ 2256TIP3    H113077  -2.159  -0.469  -3.467
+ 2256TIP3    H213078  -2.175  -0.553  -3.340
+ 2257TIP3   OH213079  -2.249   0.892  -3.742
+ 2257TIP3    H113080  -2.334   0.936  -3.729
+ 2257TIP3    H213081  -2.214   0.934  -3.821
+ 2258TIP3   OH213082  -2.312   1.173  -2.629
+ 2258TIP3    H113083  -2.254   1.142  -2.557
+ 2258TIP3    H213084  -2.350   1.087  -2.659
+ 2259TIP3   OH213085  -1.827   1.085  -2.461
+ 2259TIP3    H113086  -1.772   1.010  -2.434
+ 2259TIP3    H213087  -1.868   1.049  -2.542
+ 2260TIP3   OH213088  -1.421   1.015  -4.332
+ 2260TIP3    H113089  -1.501   0.959  -4.326
+ 2260TIP3    H213090  -1.354   0.948  -4.351
+ 2261TIP3   OH213091  -1.199   0.911  -2.581
+ 2261TIP3    H113092  -1.233   0.825  -2.549
+ 2261TIP3    H213093  -1.120   0.922  -2.524
+ 2262TIP3   OH213094  -1.026   0.982  -4.285
+ 2262TIP3    H113095  -0.980   0.911  -4.238
+ 2262TIP3    H213096  -0.954   1.038  -4.321
+ 2263TIP3   OH213097  -2.313   0.546  -2.523
+ 2263TIP3    H113098  -2.308   0.449  -2.537
+ 2263TIP3    H213099  -2.393   0.568  -2.573
+ 2264TIP3   OH213100  -1.888   0.597  -4.306
+ 2264TIP3    H113101  -1.878   0.525  -4.243
+ 2264TIP3    H213102  -1.821   0.575  -4.373
+ 2265TIP3   OH213103  -1.652   0.559  -2.584
+ 2265TIP3    H113104  -1.684   0.583  -2.672
+ 2265TIP3    H213105  -1.642   0.461  -2.592
+ 2266TIP3   OH213106  -1.360   0.696  -4.348
+ 2266TIP3    H113107  -1.342   0.709  -4.253
+ 2266TIP3    H213108  -1.294   0.630  -4.372
+ 2267TIP3   OH213109  -1.117   0.516  -2.843
+ 2267TIP3    H113110  -1.037   0.568  -2.862
+ 2267TIP3    H213111  -1.187   0.582  -2.846
+ 2268TIP3   OH213112  -2.233   0.253  -2.596
+ 2268TIP3    H113113  -2.169   0.179  -2.596
+ 2268TIP3    H213114  -2.239   0.268  -2.500
+ 2269TIP3   OH213115  -1.786   0.386  -4.088
+ 2269TIP3    H113116  -1.849   0.341  -4.030
+ 2269TIP3    H213117  -1.752   0.313  -4.143
+ 2270TIP3   OH213118  -1.863   0.162  -2.855
+ 2270TIP3    H113119  -1.917   0.240  -2.834
+ 2270TIP3    H213120  -1.799   0.199  -2.918
+ 2271TIP3   OH213121  -1.668   0.199  -4.276
+ 2271TIP3    H113122  -1.663   0.171  -4.369
+ 2271TIP3    H213123  -1.573   0.196  -4.251
+ 2272TIP3   OH213124  -1.334   0.438  -2.503
+ 2272TIP3    H113125  -1.244   0.413  -2.530
+ 2272TIP3    H213126  -1.362   0.358  -2.456
+ 2273TIP3   OH213127  -1.803  -0.105  -2.741
+ 2273TIP3    H113128  -1.800  -0.173  -2.811
+ 2273TIP3    H213129  -1.828  -0.025  -2.792
+ 2274TIP3   OH213130  -1.771  -0.262  -2.997
+ 2274TIP3    H113131  -1.721  -0.209  -3.062
+ 2274TIP3    H213132  -1.863  -0.258  -3.032
+ 2275TIP3   OH213133  -1.616   0.285  -2.957
+ 2275TIP3    H113134  -1.533   0.274  -3.005
+ 2275TIP3    H213135  -1.647   0.371  -2.989
+ 2276TIP3   OH213136  -1.158   0.072  -2.474
+ 2276TIP3    H113137  -1.135  -0.022  -2.467
+ 2276TIP3    H213138  -1.071   0.112  -2.482
+ 2277TIP3   OH213139  -1.062   0.357  -2.625
+ 2277TIP3    H113140  -1.096   0.417  -2.695
+ 2277TIP3    H213141  -0.973   0.339  -2.660
+ 2278TIP3   OH213142  -1.980   0.080  -2.556
+ 2278TIP3    H113143  -2.037   0.001  -2.551
+ 2278TIP3    H213144  -1.902   0.045  -2.603
+ 2279TIP3   OH213145  -1.699  -0.528  -2.962
+ 2279TIP3    H113146  -1.717  -0.433  -2.977
+ 2279TIP3    H213147  -1.770  -0.569  -3.015
+ 2280TIP3   OH213148  -1.575  -0.069  -2.582
+ 2280TIP3    H113149  -1.607  -0.094  -2.494
+ 2280TIP3    H213150  -1.654  -0.090  -2.635
+ 2281TIP3   OH213151  -1.319  -0.169  -2.697
+ 2281TIP3    H113152  -1.407  -0.163  -2.654
+ 2281TIP3    H213153  -1.272  -0.228  -2.635
+ 2282TIP3   OH213154  -1.141  -0.310  -2.512
+ 2282TIP3    H113155  -1.151  -0.407  -2.501
+ 2282TIP3    H213156  -1.155  -0.277  -2.421
+ 2283TIP3   OH213157  -2.116  -0.178  -2.576
+ 2283TIP3    H113158  -2.127  -0.250  -2.640
+ 2283TIP3    H213159  -2.139  -0.223  -2.492
+ 2284TIP3   OH213160  -1.716  -0.581  -2.680
+ 2284TIP3    H113161  -1.656  -0.656  -2.674
+ 2284TIP3    H213162  -1.718  -0.564  -2.776
+ 2285TIP3   OH213163  -1.618  -0.391  -2.500
+ 2285TIP3    H113164  -1.653  -0.451  -2.568
+ 2285TIP3    H213165  -1.689  -0.326  -2.489
+ 2286TIP3   OH213166  -1.708   1.312  -4.171
+ 2286TIP3    H113167  -1.612   1.326  -4.162
+ 2286TIP3    H213168  -1.732   1.372  -4.243
+ 2287TIP3   OH213169  -2.323   0.722  -4.195
+ 2287TIP3    H113170  -2.231   0.753  -4.200
+ 2287TIP3    H213171  -2.331   0.664  -4.273
+ 2288TIP3   OH213172  -2.422   1.270  -3.719
+ 2288TIP3    H113173  -2.494   1.233  -3.775
+ 2288TIP3    H213174  -2.414   1.202  -3.650
+ 2289TIP3   OH213175  -2.388   1.075  -3.519
+ 2289TIP3    H113176  -2.412   0.985  -3.490
+ 2289TIP3    H213177  -2.348   1.107  -3.436
+ 2290TIP3   OH213178  -0.631   1.204  -3.218
+ 2290TIP3    H113179  -0.612   1.195  -3.124
+ 2290TIP3    H213180  -0.544   1.228  -3.253
+ 2291TIP3   OH213181  -0.641   1.144  -2.931
+ 2291TIP3    H113182  -0.692   1.069  -2.967
+ 2291TIP3    H213183  -0.585   1.097  -2.867
+ 2292TIP3   OH213184  -0.842   0.688  -2.506
+ 2292TIP3    H113185  -0.924   0.683  -2.454
+ 2292TIP3    H213186  -0.794   0.762  -2.467
+ 2293TIP3   OH213187  -0.700   0.569  -3.930
+ 2293TIP3    H113188  -0.611   0.605  -3.916
+ 2293TIP3    H213189  -0.705   0.506  -3.856
+ 2294TIP3   OH213190  -0.655   0.370  -3.732
+ 2294TIP3    H113191  -0.722   0.315  -3.687
+ 2294TIP3    H213192  -0.587   0.383  -3.663
+ 2295TIP3   OH213193  -0.683   0.623  -3.235
+ 2295TIP3    H113194  -0.620   0.572  -3.289
+ 2295TIP3    H213195  -0.666   0.714  -3.266
+ 2296TIP3   OH213196  -0.812   0.920  -3.010
+ 2296TIP3    H113197  -0.886   0.951  -2.956
+ 2296TIP3    H213198  -0.857   0.880  -3.086
+ 2297TIP3   OH213199  -0.624   0.340  -4.109
+ 2297TIP3    H113200  -0.690   0.365  -4.175
+ 2297TIP3    H213201  -0.645   0.403  -4.039
+ 2298TIP3   OH213202  -0.803   0.077  -4.210
+ 2298TIP3    H113203  -0.780   0.149  -4.272
+ 2298TIP3    H213204  -0.775  -0.001  -4.259
+ 2299TIP3   OH213205  -0.862   0.185  -3.650
+ 2299TIP3    H113206  -0.870   0.090  -3.665
+ 2299TIP3    H213207  -0.899   0.195  -3.560
+ 2300TIP3   OH213208  -2.378   0.413  -3.281
+ 2300TIP3    H113209  -2.352   0.413  -3.375
+ 2300TIP3    H213210  -2.293   0.387  -3.239
+ 2301TIP3   OH213211  -0.801   0.380  -2.744
+ 2301TIP3    H113212  -0.732   0.316  -2.716
+ 2301TIP3    H213213  -0.754   0.464  -2.741
+ 2302TIP3   OH213214  -0.645   0.195  -2.614
+ 2302TIP3    H113215  -0.724   0.139  -2.632
+ 2302TIP3    H213216  -0.574   0.128  -2.615
+ 2303TIP3   OH213217  -0.882  -0.223  -4.324
+ 2303TIP3    H113218  -0.823  -0.268  -4.262
+ 2303TIP3    H213219  -0.964  -0.276  -4.320
+ 2304TIP3   OH213220  -0.882  -0.062  -3.836
+ 2304TIP3    H113221  -0.855  -0.156  -3.829
+ 2304TIP3    H213222  -0.800  -0.023  -3.873
+ 2305TIP3   OH213223  -0.851  -0.003  -3.289
+ 2305TIP3    H113224  -0.753   0.006  -3.290
+ 2305TIP3    H213225  -0.866  -0.001  -3.193
+ 2306TIP3   OH213226  -0.836   0.066  -3.010
+ 2306TIP3    H113227  -0.920   0.104  -2.978
+ 2306TIP3    H213228  -0.782   0.146  -3.026
+ 2307TIP3   OH213229  -2.381  -0.055  -2.642
+ 2307TIP3    H113230  -2.290  -0.088  -2.630
+ 2307TIP3    H213231  -2.434  -0.134  -2.624
+ 2308TIP3   OH213232  -0.571  -0.523  -2.476
+ 2308TIP3    H113233  -0.539  -0.588  -2.541
+ 2308TIP3    H213234  -0.575  -0.441  -2.529
+ 2309TIP3   OH213235  -0.829  -0.338  -3.831
+ 2309TIP3    H113236  -0.816  -0.374  -3.742
+ 2309TIP3    H213237  -0.905  -0.391  -3.862
+ 2310TIP3   OH213238  -2.307  -0.224  -3.365
+ 2310TIP3    H113239  -2.263  -0.309  -3.350
+ 2310TIP3    H213240  -2.242  -0.163  -3.323
+ 2311TIP3   OH213241  -2.451   0.043  -3.253
+ 2311TIP3    H113242  -2.397   0.043  -3.334
+ 2311TIP3    H213243  -2.419   0.121  -3.208
+ 2312TIP3   OH213244  -0.641  -0.316  -2.652
+ 2312TIP3    H113245  -0.727  -0.272  -2.643
+ 2312TIP3    H213246  -0.656  -0.368  -2.733
+ 2313TIP3   OH213247  -0.627  -0.299  -4.176
+ 2313TIP3    H113248  -0.600  -0.371  -4.234
+ 2313TIP3    H213249  -0.544  -0.248  -4.168
+ 2314TIP3   OH213250  -2.404  -0.324  -3.854
+ 2314TIP3    H113251  -2.500  -0.320  -3.870
+ 2314TIP3    H213252  -2.368  -0.262  -3.920
+ 2315TIP3   OH213253  -0.942   1.201  -3.641
+ 2315TIP3    H113254  -0.896   1.177  -3.723
+ 2315TIP3    H213255  -0.871   1.240  -3.589
+ 2316TIP3   OH213256  -2.404  -0.441  -3.038
+ 2316TIP3    H113257  -2.472  -0.454  -2.970
+ 2316TIP3    H213258  -2.451  -0.381  -3.099
+ 2317TIP3   OH213259  -2.202   0.889  -2.562
+ 2317TIP3    H113260  -2.266   0.867  -2.631
+ 2317TIP3    H213261  -2.249   0.862  -2.482
+ 2318TIP3   OH213262  -1.918   0.975  -3.000
+ 2318TIP3    H113263  -1.946   1.061  -3.034
+ 2318TIP3    H213264  -1.822   0.981  -3.018
+ 2319TIP3   OH213265  -1.287   1.227  -2.748
+ 2319TIP3    H113266  -1.244   1.164  -2.809
+ 2319TIP3    H213267  -1.210   1.259  -2.699
+ 2320TIP3   OH213268  -0.753  -0.490  -2.857
+ 2320TIP3    H113269  -0.835  -0.471  -2.906
+ 2320TIP3    H213270  -0.732  -0.580  -2.888
+ 2321TIP3   OH213271  -2.176   1.270  -2.966
+ 2321TIP3    H113272  -2.236   1.332  -3.012
+ 2321TIP3    H213273  -2.213   1.271  -2.878
+ 2322TIP3   OH213274  -1.920   1.250  -3.102
+ 2322TIP3    H113275  -2.007   1.268  -3.062
+ 2322TIP3    H213276  -1.916   1.317  -3.174
+ 2323TIP3   OH213277  -1.462   1.246  -3.154
+ 2323TIP3    H113278  -1.497   1.289  -3.233
+ 2323TIP3    H213279  -1.447   1.323  -3.096
+ 2324TIP3   OH213280  -1.227   1.129  -3.047
+ 2324TIP3    H113281  -1.308   1.154  -3.096
+ 2324TIP3    H213282  -1.164   1.197  -3.076
+ 2325TIP3   OH213283  -0.972   1.293  -3.046
+ 2325TIP3    H113284  -0.972   1.387  -3.071
+ 2325TIP3    H213285  -0.940   1.253  -3.128
+ 2326TIP3   OH213286  -2.221   1.148  -3.271
+ 2326TIP3    H113287  -2.223   1.098  -3.187
+ 2326TIP3    H213288  -2.146   1.103  -3.316
+ 2327TIP3   OH213289  -2.020   1.024  -3.427
+ 2327TIP3    H113290  -2.036   0.931  -3.402
+ 2327TIP3    H213291  -1.928   1.037  -3.397
+ 2328TIP3   OH213292  -1.743   1.070  -3.340
+ 2328TIP3    H113293  -1.725   0.976  -3.362
+ 2328TIP3    H213294  -1.738   1.066  -3.243
+ 2329TIP3   OH213295  -1.411  -0.341  -3.410
+ 2329TIP3    H113296  -1.480  -0.408  -3.394
+ 2329TIP3    H213297  -1.350  -0.388  -3.469
+ 2330TIP3   OH213298  -0.916  -0.540  -3.363
+ 2330TIP3    H113299  -0.840  -0.494  -3.403
+ 2330TIP3    H213300  -0.991  -0.509  -3.417
+ 2331TIP3   OH213301  -0.709  -0.429  -3.578
+ 2331TIP3    H113302  -0.636  -0.470  -3.627
+ 2331TIP3    H213303  -0.677  -0.337  -3.567
+ 2332TIP3   OH213304  -2.174  -0.469  -3.655
+ 2332TIP3    H113305  -2.261  -0.482  -3.698
+ 2332TIP3    H213306  -2.133  -0.556  -3.668
+ 2333TIP3   OH213307  -2.299  -0.514  -4.082
+ 2333TIP3    H113308  -2.239  -0.449  -4.126
+ 2333TIP3    H213309  -2.331  -0.461  -4.007
+ 2334TIP3   OH213310  -1.729  -0.487  -3.666
+ 2334TIP3    H113311  -1.637  -0.457  -3.678
+ 2334TIP3    H213312  -1.733  -0.495  -3.570
+ 2335TIP3   OH213313  -1.169  -0.483  -3.524
+ 2335TIP3    H113314  -1.144  -0.499  -3.616
+ 2335TIP3    H213315  -1.208  -0.569  -3.499
+ 2336TIP3   OH213316  -1.063  -0.484  -3.922
+ 2336TIP3    H113317  -1.143  -0.436  -3.950
+ 2336TIP3    H213318  -1.097  -0.576  -3.917
+ 2337TIP3   OH213319  -2.290   1.075  -3.963
+ 2337TIP3    H113320  -2.359   1.072  -4.031
+ 2337TIP3    H213321  -2.288   1.169  -3.943
+ 2338TIP3   OH213322  -2.129  -0.343  -4.231
+ 2338TIP3    H113323  -2.072  -0.401  -4.282
+ 2338TIP3    H213324  -2.064  -0.292  -4.180
+ 2339TIP3   OH213325  -1.617  -0.325  -3.960
+ 2339TIP3    H113326  -1.578  -0.377  -3.888
+ 2339TIP3    H213327  -1.595  -0.236  -3.928
+ 2340TIP3   OH213328  -1.410   1.240  -4.147
+ 2340TIP3    H113329  -1.313   1.249  -4.152
+ 2340TIP3    H213330  -1.423   1.177  -4.221
+ 2341TIP3   OH213331  -0.756   1.160  -3.880
+ 2341TIP3    H113332  -0.779   1.075  -3.923
+ 2341TIP3    H213333  -0.767   1.223  -3.953
+ 2342TIP3   OH213334  -2.195  -0.446  -2.704
+ 2342TIP3    H113335  -2.238  -0.524  -2.664
+ 2342TIP3    H213336  -2.104  -0.457  -2.672
+ 2343TIP3   OH213337  -1.957  -0.507  -2.526
+ 2343TIP3    H113338  -1.876  -0.544  -2.566
+ 2343TIP3    H213339  -1.994  -0.585  -2.483
+ 2344TIP3   OH213340  -2.088   1.183  -4.233
+ 2344TIP3    H113341  -2.130   1.206  -4.149
+ 2344TIP3    H213342  -2.025   1.114  -4.209
+ 2345TIP3   OH213343  -1.145  -0.594  -2.511
+ 2345TIP3    H113344  -1.145  -0.635  -2.422
+ 2345TIP3    H213345  -1.050  -0.598  -2.534
+ 2346TIP3   OH213346  -0.810   1.037  -2.641
+ 2346TIP3    H113347  -0.884   1.017  -2.701
+ 2346TIP3    H213348  -0.827   1.131  -2.622
+ 2347TIP3   OH213349   0.611   0.404  -3.627
+ 2347TIP3    H113350   0.611   0.501  -3.617
+ 2347TIP3    H213351   0.534   0.390  -3.684
+ 2348TIP3   OH213352   0.494   0.350  -3.319
+ 2348TIP3    H113353   0.495   0.293  -3.240
+ 2348TIP3    H213354   0.470   0.286  -3.388
+ 2349TIP3   OH213355  -0.256   0.308  -3.153
+ 2349TIP3    H113356  -0.259   0.232  -3.092
+ 2349TIP3    H213357  -0.186   0.361  -3.112
+ 2350TIP3   OH213358   0.863   0.623  -3.488
+ 2350TIP3    H113359   0.827   0.551  -3.435
+ 2350TIP3    H213360   0.894   0.683  -3.419
+ 2351TIP3   OH213361  -0.191   0.772  -3.305
+ 2351TIP3    H113362  -0.215   0.680  -3.329
+ 2351TIP3    H213363  -0.099   0.758  -3.278
+ 2352TIP3   OH213364  -0.489   0.113  -3.766
+ 2352TIP3    H113365  -0.533   0.199  -3.752
+ 2352TIP3    H213366  -0.561   0.062  -3.804
+ 2353TIP3   OH213367  -0.410   0.357  -3.579
+ 2353TIP3    H113368  -0.397   0.274  -3.529
+ 2353TIP3    H213369  -0.325   0.366  -3.623
+ 2354TIP3   OH213370   0.573   1.161  -3.431
+ 2354TIP3    H113371   0.629   1.088  -3.464
+ 2354TIP3    H213372   0.541   1.125  -3.347
+ 2355TIP3   OH213373   0.346   0.601  -3.265
+ 2355TIP3    H113374   0.377   0.527  -3.320
+ 2355TIP3    H213375   0.426   0.615  -3.211
+ 2356TIP3   OH213376   1.211  -0.248  -3.200
+ 2356TIP3    H113377   1.236  -0.188  -3.128
+ 2356TIP3    H213378   1.273  -0.219  -3.270
+ 2357TIP3   OH213379   0.676   0.034  -3.213
+ 2357TIP3    H113380   0.688  -0.063  -3.205
+ 2357TIP3    H213381   0.666   0.044  -3.309
+ 2358TIP3   OH213382  -0.028  -0.166  -3.505
+ 2358TIP3    H113383  -0.014  -0.080  -3.550
+ 2358TIP3    H213384  -0.065  -0.218  -3.579
+ 2359TIP3   OH213385   0.755  -0.150  -3.674
+ 2359TIP3    H113386   0.813  -0.194  -3.608
+ 2359TIP3    H213387   0.822  -0.107  -3.730
+ 2360TIP3   OH213388  -0.358   0.108  -3.454
+ 2360TIP3    H113389  -0.296   0.061  -3.396
+ 2360TIP3    H213390  -0.350   0.057  -3.536
+ 2361TIP3   OH213391   0.180   0.246  -3.509
+ 2361TIP3    H113392   0.250   0.192  -3.469
+ 2361TIP3    H213393   0.129   0.179  -3.557
+ 2362TIP3   OH213394   1.284  -0.112  -2.951
+ 2362TIP3    H113395   1.224  -0.040  -2.978
+ 2362TIP3    H213396   1.265  -0.117  -2.857
+ 2363TIP3   OH213397  -0.148  -0.289  -3.091
+ 2363TIP3    H113398  -0.189  -0.235  -3.160
+ 2363TIP3    H213399  -0.213  -0.276  -3.018
+ 2364TIP3   OH213400   0.598   0.688  -3.747
+ 2364TIP3    H113401   0.573   0.668  -3.838
+ 2364TIP3    H213402   0.555   0.773  -3.732
+ 2365TIP3   OH213403   0.146   0.502  -3.077
+ 2365TIP3    H113404   0.071   0.560  -3.051
+ 2365TIP3    H213405   0.207   0.565  -3.121
+ 2366TIP3   OH213406   0.940  -0.224  -3.470
+ 2366TIP3    H113407   0.900  -0.284  -3.405
+ 2366TIP3    H213408   0.992  -0.165  -3.413
+ 2367TIP3   OH213409  -0.188  -0.080  -3.295
+ 2367TIP3    H113410  -0.123  -0.024  -3.247
+ 2367TIP3    H213411  -0.130  -0.118  -3.364
+ 2368TIP3   OH213412  -0.056   0.689  -3.006
+ 2368TIP3    H113413  -0.061   0.783  -3.032
+ 2368TIP3    H213414  -0.142   0.679  -2.960
+ 2369TIP3   OH213415  -0.422   0.659  -3.919
+ 2369TIP3    H113416  -0.447   0.703  -4.003
+ 2369TIP3    H213417  -0.409   0.734  -3.857
+ 2370TIP3   OH213418   0.922   0.805  -3.234
+ 2370TIP3    H113419   0.825   0.816  -3.234
+ 2370TIP3    H213420   0.949   0.889  -3.275
+ 2371TIP3   OH213421   0.953  -0.307  -3.085
+ 2371TIP3    H113422   0.875  -0.270  -3.132
+ 2371TIP3    H213423   1.025  -0.290  -3.148
+ 2372TIP3   OH213424   0.265  -0.537  -3.382
+ 2372TIP3    H113425   0.243  -0.632  -3.385
+ 2372TIP3    H213426   0.184  -0.499  -3.342
+ 2373TIP3   OH213427   0.749   0.998  -3.584
+ 2373TIP3    H113428   0.797   0.918  -3.614
+ 2373TIP3    H213429   0.820   1.066  -3.592
+ 2374TIP3   OH213430   0.892   0.787  -3.717
+ 2374TIP3    H113431   0.850   0.739  -3.789
+ 2374TIP3    H213432   0.890   0.720  -3.645
+ 2375TIP3   OH213433   1.049   0.671  -2.872
+ 2375TIP3    H113434   1.039   0.600  -2.938
+ 2375TIP3    H213435   1.067   0.748  -2.927
+ 2376TIP3   OH213436   0.478   0.352  -3.908
+ 2376TIP3    H113437   0.415   0.418  -3.941
+ 2376TIP3    H213438   0.555   0.365  -3.967
+ 2377TIP3   OH213439   0.474   0.154  -4.196
+ 2377TIP3    H113440   0.540   0.185  -4.132
+ 2377TIP3    H213441   0.527   0.089  -4.248
+ 2378TIP3   OH213442   1.227   0.285  -3.075
+ 2378TIP3    H113443   1.154   0.349  -3.066
+ 2378TIP3    H213444   1.273   0.319  -3.154
+ 2379TIP3   OH213445   0.827   0.356  -3.794
+ 2379TIP3    H113446   0.759   0.376  -3.726
+ 2379TIP3    H213447   0.888   0.299  -3.742
+ 2380TIP3   OH213448   0.812   0.208  -2.910
+ 2380TIP3    H113449   0.816   0.289  -2.856
+ 2380TIP3    H213450   0.745   0.236  -2.975
+ 2381TIP3   OH213451  -0.012   0.434  -3.617
+ 2381TIP3    H113452  -0.042   0.388  -3.698
+ 2381TIP3    H213453   0.051   0.370  -3.580
+ 2382TIP3   OH213454   0.126   0.777  -3.343
+ 2382TIP3    H113455   0.112   0.733  -3.429
+ 2382TIP3    H213456   0.203   0.728  -3.309
+ 2383TIP3   OH213457   0.043   0.318  -3.270
+ 2383TIP3    H113458   0.105   0.318  -3.345
+ 2383TIP3    H213459   0.086   0.380  -3.207
+ 2384TIP3   OH213460   0.641   0.873  -3.205
+ 2384TIP3    H113461   0.642   0.933  -3.128
+ 2384TIP3    H213462   0.617   0.788  -3.165
+ 2385TIP3   OH213463   0.132   0.752  -2.788
+ 2385TIP3    H113464   0.078   0.812  -2.733
+ 2385TIP3    H213465   0.066   0.720  -2.852
+ 2386TIP3   OH213466   0.732   0.308  -4.056
+ 2386TIP3    H113467   0.777   0.330  -3.971
+ 2386TIP3    H213468   0.794   0.346  -4.121
+ 2387TIP3   OH213469  -0.179   0.394  -2.876
+ 2387TIP3    H113470  -0.172   0.441  -2.791
+ 2387TIP3    H213471  -0.273   0.370  -2.878
+ 2388TIP3   OH213472   0.464   0.961  -3.694
+ 2388TIP3    H113473   0.517   0.987  -3.618
+ 2388TIP3    H213474   0.420   1.043  -3.719
+ 2389TIP3   OH213475  -0.062   0.967  -2.701
+ 2389TIP3    H113476  -0.073   0.967  -2.797
+ 2389TIP3    H213477  -0.149   0.938  -2.668
+ 2390TIP3   OH213478   1.078  -0.534  -4.075
+ 2390TIP3    H113479   0.982  -0.523  -4.057
+ 2390TIP3    H213480   1.102  -0.444  -4.102
+ 2391TIP3   OH213481  -0.117   0.306  -3.868
+ 2391TIP3    H113482  -0.145   0.383  -3.919
+ 2391TIP3    H213483  -0.189   0.243  -3.885
+ 2392TIP3   OH213484   1.180   0.884  -4.236
+ 2392TIP3    H113485   1.209   0.976  -4.222
+ 2392TIP3    H213486   1.264   0.836  -4.242
+ 2393TIP3   OH213487  -0.517   0.575  -2.990
+ 2393TIP3    H113488  -0.559   0.571  -3.078
+ 2393TIP3    H213489  -0.500   0.481  -2.971
+ 2394TIP3   OH213490  -0.509   0.870  -3.297
+ 2394TIP3    H113491  -0.418   0.837  -3.293
+ 2394TIP3    H213492  -0.512   0.927  -3.219
+ 2395TIP3   OH213493   1.325   0.930  -2.719
+ 2395TIP3    H113494   1.316   0.834  -2.735
+ 2395TIP3    H213495   1.235   0.951  -2.687
+ 2396TIP3   OH213496   0.393   0.857  -2.839
+ 2396TIP3    H113497   0.397   0.938  -2.787
+ 2396TIP3    H213498   0.303   0.823  -2.815
+ 2397TIP3   OH213499   0.427   1.232  -3.846
+ 2397TIP3    H113500   0.420   1.242  -3.942
+ 2397TIP3    H213501   0.429   1.324  -3.815
+ 2398TIP3   OH213502  -0.198   1.147  -3.680
+ 2398TIP3    H113503  -0.182   1.101  -3.594
+ 2398TIP3    H213504  -0.281   1.105  -3.706
+ 2399TIP3   OH213505   0.734   1.206  -4.103
+ 2399TIP3    H113506   0.782   1.163  -4.174
+ 2399TIP3    H213507   0.743   1.143  -4.028
+ 2400TIP3   OH213508   0.696   1.103  -3.850
+ 2400TIP3    H113509   0.604   1.128  -3.832
+ 2400TIP3    H213510   0.714   1.043  -3.776
+ 2401TIP3   OH213511   1.007   0.065  -2.682
+ 2401TIP3    H113512   0.952   0.105  -2.751
+ 2401TIP3    H213513   1.008  -0.029  -2.709
+ 2402TIP3   OH213514  -0.297   0.732  -2.863
+ 2402TIP3    H113515  -0.267   0.683  -2.783
+ 2402TIP3    H213516  -0.368   0.675  -2.897
+ 2403TIP3   OH213517   0.024  -0.423  -3.289
+ 2403TIP3    H113518  -0.060  -0.430  -3.338
+ 2403TIP3    H213519   0.001  -0.352  -3.227
+ 2404TIP3   OH213520   0.463  -0.466  -2.924
+ 2404TIP3    H113521   0.512  -0.520  -2.859
+ 2404TIP3    H213522   0.371  -0.495  -2.913
+ 2405TIP3   OH213523   0.768  -0.088  -2.867
+ 2405TIP3    H113524   0.717  -0.097  -2.785
+ 2405TIP3    H213525   0.767   0.007  -2.884
+ 2406TIP3   OH213526   0.949   0.384  -4.247
+ 2406TIP3    H113527   0.916   0.359  -4.334
+ 2406TIP3    H213528   0.990   0.469  -4.269
+ 2407TIP3   OH213529   0.442  -0.225  -4.216
+ 2407TIP3    H113530   0.390  -0.225  -4.135
+ 2407TIP3    H213531   0.399  -0.296  -4.265
+ 2408TIP3   OH213532   0.007   0.056  -3.148
+ 2408TIP3    H113533  -0.045   0.067  -3.066
+ 2408TIP3    H213534   0.014   0.149  -3.180
+ 2409TIP3   OH213535   0.003   0.065  -3.661
+ 2409TIP3    H113536  -0.093   0.052  -3.676
+ 2409TIP3    H213537   0.038   0.043  -3.749
+ 2410TIP3   OH213538   0.572   0.117  -3.786
+ 2410TIP3    H113539   0.531   0.200  -3.820
+ 2410TIP3    H213540   0.637   0.098  -3.855
+ 2411TIP3   OH213541   0.470   0.129  -2.620
+ 2411TIP3    H113542   0.424   0.050  -2.587
+ 2411TIP3    H213543   0.559   0.116  -2.581
+ 2412TIP3   OH213544   0.650   0.059  -3.506
+ 2412TIP3    H113545   0.623   0.116  -3.580
+ 2412TIP3    H213546   0.672  -0.023  -3.555
+ 2413TIP3   OH213547  -0.258   0.075  -2.962
+ 2413TIP3    H113548  -0.224   0.101  -2.875
+ 2413TIP3    H213549  -0.289  -0.015  -2.944
+ 2414TIP3   OH213550   0.120  -0.179  -4.311
+ 2414TIP3    H113551   0.086  -0.213  -4.226
+ 2414TIP3    H213552   0.040  -0.137  -4.348
+ 2415TIP3   OH213553  -0.569  -0.178  -3.602
+ 2415TIP3    H113554  -0.510  -0.184  -3.525
+ 2415TIP3    H213555  -0.520  -0.222  -3.673
+ 2416TIP3   OH213556  -0.415  -0.138  -4.040
+ 2416TIP3    H113557  -0.359  -0.088  -4.102
+ 2416TIP3    H213558  -0.482  -0.071  -4.017
+ 2417TIP3   OH213559   0.561   0.227  -3.057
+ 2417TIP3    H113560   0.604   0.155  -3.108
+ 2417TIP3    H213561   0.523   0.177  -2.983
+ 2418TIP3   OH213562   0.280  -0.177  -3.558
+ 2418TIP3    H113563   0.186  -0.183  -3.533
+ 2418TIP3    H213564   0.324  -0.197  -3.473
+ 2419TIP3   OH213565  -0.260  -0.054  -3.693
+ 2419TIP3    H113566  -0.344  -0.030  -3.734
+ 2419TIP3    H213567  -0.234  -0.135  -3.740
+ 2420TIP3   OH213568   0.099  -0.018  -3.926
+ 2420TIP3    H113569   0.195  -0.016  -3.912
+ 2420TIP3    H213570   0.083   0.053  -3.989
+ 2421TIP3   OH213571   0.720  -0.264  -3.257
+ 2421TIP3    H113572   0.657  -0.263  -3.181
+ 2421TIP3    H213573   0.662  -0.297  -3.327
+ 2422TIP3   OH213574  -0.051   0.113  -4.175
+ 2422TIP3    H113575  -0.107   0.044  -4.214
+ 2422TIP3    H213576   0.034   0.098  -4.215
+ 2423TIP3   OH213577  -0.186   0.582  -2.644
+ 2423TIP3    H113578  -0.121   0.584  -2.571
+ 2423TIP3    H213579  -0.268   0.572  -2.592
+ 2424TIP3   OH213580   0.382   0.077  -3.375
+ 2424TIP3    H113581   0.456   0.033  -3.420
+ 2424TIP3    H213582   0.365   0.017  -3.300
+ 2425TIP3   OH213583  -0.087  -0.282  -3.767
+ 2425TIP3    H113584  -0.142  -0.359  -3.746
+ 2425TIP3    H213585  -0.002  -0.322  -3.791
+ 2426TIP3   OH213586   0.280  -0.076  -3.151
+ 2426TIP3    H113587   0.201  -0.020  -3.147
+ 2426TIP3    H213588   0.330  -0.053  -3.071
+ 2427TIP3   OH213589   0.295   0.562  -3.961
+ 2427TIP3    H113590   0.218   0.509  -3.993
+ 2427TIP3    H213591   0.276   0.568  -3.864
+ 2428TIP3   OH213592   1.016   0.479  -3.086
+ 2428TIP3    H113593   1.065   0.532  -3.153
+ 2428TIP3    H213594   0.931   0.466  -3.132
+ 2429TIP3   OH213595   0.710  -0.168  -4.172
+ 2429TIP3    H113596   0.613  -0.162  -4.185
+ 2429TIP3    H213597   0.733  -0.086  -4.124
+ 2430TIP3   OH213598   0.465   0.569  -2.829
+ 2430TIP3    H113599   0.431   0.525  -2.750
+ 2430TIP3    H213600   0.423   0.656  -2.824
+ 2431TIP3   OH213601   0.770   0.028  -3.986
+ 2431TIP3    H113602   0.856   0.006  -3.946
+ 2431TIP3    H213603   0.788   0.113  -4.030
+ 2432TIP3   OH213604  -0.193   0.501  -3.379
+ 2432TIP3    H113605  -0.135   0.489  -3.456
+ 2432TIP3    H213606  -0.182   0.416  -3.332
+ 2433TIP3   OH213607   0.540   0.697  -4.049
+ 2433TIP3    H113608   0.507   0.786  -4.024
+ 2433TIP3    H213609   0.461   0.643  -4.028
+ 2434TIP3   OH213610  -0.466   0.329  -2.849
+ 2434TIP3    H113611  -0.449   0.283  -2.764
+ 2434TIP3    H213612  -0.527   0.268  -2.894
+ 2435TIP3   OH213613   0.221   0.295  -2.639
+ 2435TIP3    H113614   0.174   0.241  -2.704
+ 2435TIP3    H213615   0.299   0.240  -2.620
+ 2436TIP3   OH213616   0.692   0.843  -2.881
+ 2436TIP3    H113617   0.596   0.830  -2.893
+ 2436TIP3    H213618   0.700   0.840  -2.784
+ 2437TIP3   OH213619   1.241   0.034  -3.998
+ 2437TIP3    H113620   1.180   0.014  -4.071
+ 2437TIP3    H213621   1.254   0.129  -4.017
+ 2438TIP3   OH213622   1.284   0.636  -2.724
+ 2438TIP3    H113623   1.189   0.653  -2.742
+ 2438TIP3    H213624   1.316   0.612  -2.814
+ 2439TIP3   OH213625   1.062   0.890  -3.988
+ 2439TIP3    H113626   1.040   0.808  -3.943
+ 2439TIP3    H213627   1.096   0.859  -4.074
+ 2440TIP3   OH213628   0.781   0.423  -3.258
+ 2440TIP3    H113629   0.688   0.404  -3.280
+ 2440TIP3    H213630   0.826   0.349  -3.305
+ 2441TIP3   OH213631   0.045   0.829  -3.656
+ 2441TIP3    H113632   0.087   0.916  -3.665
+ 2441TIP3    H213633  -0.047   0.849  -3.674
+ 2442TIP3   OH213634  -0.348   0.323  -4.203
+ 2442TIP3    H113635  -0.294   0.385  -4.150
+ 2442TIP3    H213636  -0.438   0.340  -4.168
+ 2443TIP3   OH213637   0.227   0.599  -3.694
+ 2443TIP3    H113638   0.197   0.690  -3.675
+ 2443TIP3    H213639   0.160   0.547  -3.647
+ 2444TIP3   OH213640   0.245   1.026  -3.053
+ 2444TIP3    H113641   0.303   1.097  -3.085
+ 2444TIP3    H213642   0.306   0.973  -3.000
+ 2445TIP3   OH213643   0.089   1.118  -3.731
+ 2445TIP3    H113644  -0.007   1.133  -3.725
+ 2445TIP3    H213645   0.123   1.207  -3.708
+ 2446TIP3   OH213646   0.588   0.603  -3.096
+ 2446TIP3    H113647   0.555   0.570  -3.010
+ 2446TIP3    H213648   0.659   0.540  -3.116
+ 2447TIP3   OH213649   0.784   0.720  -4.210
+ 2447TIP3    H113650   0.852   0.698  -4.144
+ 2447TIP3    H213651   0.706   0.714  -4.153
+ 2448TIP3   OH213652   0.862   1.099  -2.823
+ 2448TIP3    H113653   0.796   1.034  -2.857
+ 2448TIP3    H213654   0.880   1.148  -2.906
+ 2449TIP3   OH213655   1.294   1.174  -4.158
+ 2449TIP3    H113656   1.363   1.243  -4.150
+ 2449TIP3    H213657   1.215   1.227  -4.136
+ 2450TIP3   OH213658  -0.334  -0.207  -2.896
+ 2450TIP3    H113659  -0.426  -0.180  -2.914
+ 2450TIP3    H213660  -0.347  -0.289  -2.845
+ 2451TIP3   OH213661   0.900   0.592  -3.966
+ 2451TIP3    H113662   0.873   0.519  -3.907
+ 2451TIP3    H213663   0.997   0.586  -3.961
+ 2452TIP3   OH213664  -0.359   0.969  -3.050
+ 2452TIP3    H113665  -0.330   0.877  -3.034
+ 2452TIP3    H213666  -0.336   1.008  -2.965
+ 2453TIP3   OH213667   0.239   0.828  -4.338
+ 2453TIP3    H113668   0.305   0.757  -4.350
+ 2453TIP3    H213669   0.204   0.808  -4.249
+ 2454TIP3   OH213670   0.109   0.784  -4.083
+ 2454TIP3    H113671   0.156   0.733  -4.015
+ 2454TIP3    H213672   0.125   0.876  -4.052
+ 2455TIP3   OH213673  -0.208   0.527  -4.041
+ 2455TIP3    H113674  -0.285   0.562  -3.990
+ 2455TIP3    H213675  -0.161   0.609  -4.059
+ 2456TIP3   OH213676   0.564  -0.225  -3.039
+ 2456TIP3    H113677   0.623  -0.194  -2.968
+ 2456TIP3    H213678   0.514  -0.298  -2.996
+ 2457TIP3   OH213679   0.617  -0.266  -3.920
+ 2457TIP3    H113680   0.653  -0.224  -4.001
+ 2457TIP3    H213681   0.674  -0.228  -3.851
+ 2458TIP3   OH213682   0.399   0.944  -4.031
+ 2458TIP3    H113683   0.322   0.996  -4.003
+ 2458TIP3    H213684   0.454   1.012  -4.072
+ 2459TIP3   OH213685   0.361  -0.073  -3.815
+ 2459TIP3    H113686   0.443  -0.022  -3.802
+ 2459TIP3    H213687   0.337  -0.095  -3.723
+ 2460TIP3   OH213688   0.414   0.018  -2.901
+ 2460TIP3    H113689   0.402   0.066  -2.817
+ 2460TIP3    H213690   0.456  -0.063  -2.869
+ 2461TIP3   OH213691   0.428  -0.375  -3.725
+ 2461TIP3    H113692   0.410  -0.309  -3.656
+ 2461TIP3    H213693   0.501  -0.332  -3.775
+ 2462TIP3   OH213694   0.129   1.061  -4.024
+ 2462TIP3    H113695   0.120   1.145  -4.075
+ 2462TIP3    H213696   0.108   1.091  -3.934
+ 2463TIP3   OH213697   0.000  -0.268  -4.081
+ 2463TIP3    H113698  -0.007  -0.201  -4.012
+ 2463TIP3    H213699   0.074  -0.323  -4.047
+ 2464TIP3   OH213700   1.027  -0.186  -2.811
+ 2464TIP3    H113701   0.931  -0.176  -2.826
+ 2464TIP3    H213702   1.053  -0.210  -2.901
+ 2465TIP3   OH213703   0.882   0.197  -3.408
+ 2465TIP3    H113704   0.800   0.151  -3.435
+ 2465TIP3    H213705   0.930   0.126  -3.361
+ 2466TIP3   OH213706  -0.172   0.822  -4.159
+ 2466TIP3    H113707  -0.094   0.862  -4.117
+ 2466TIP3    H213708  -0.131   0.772  -4.231
+ 2467TIP3   OH213709  -0.339   0.039  -4.259
+ 2467TIP3    H113710  -0.328   0.133  -4.238
+ 2467TIP3    H213711  -0.431   0.035  -4.288
+ 2468TIP3   OH213712   0.982   1.083  -3.271
+ 2468TIP3    H113713   0.967   1.166  -3.322
+ 2468TIP3    H213714   1.075   1.095  -3.246
+ 2469TIP3   OH213715  -0.255  -0.467  -3.371
+ 2469TIP3    H113716  -0.274  -0.470  -3.467
+ 2469TIP3    H213717  -0.289  -0.553  -3.339
+ 2470TIP3   OH213718  -0.366   0.887  -3.745
+ 2470TIP3    H113719  -0.447   0.936  -3.726
+ 2470TIP3    H213720  -0.331   0.936  -3.820
+ 2471TIP3   OH213721  -0.427   1.173  -2.627
+ 2471TIP3    H113722  -0.367   1.143  -2.556
+ 2471TIP3    H213723  -0.463   1.088  -2.657
+ 2472TIP3   OH213724   0.042   1.079  -2.448
+ 2472TIP3    H113725   0.111   1.013  -2.427
+ 2472TIP3    H213726   0.020   1.053  -2.539
+ 2473TIP3   OH213727   0.470   1.013  -4.331
+ 2473TIP3    H113728   0.387   0.962  -4.325
+ 2473TIP3    H213729   0.531   0.944  -4.363
+ 2474TIP3   OH213730   0.690   0.908  -2.586
+ 2474TIP3    H113731   0.648   0.826  -2.554
+ 2474TIP3    H213732   0.762   0.919  -2.521
+ 2475TIP3   OH213733   0.681   0.820   4.216
+ 2475TIP3    H113734   0.700   0.760   4.290
+ 2475TIP3    H213735   0.770   0.825   4.178
+ 2476TIP3   OH213736  -0.433   0.547  -2.522
+ 2476TIP3    H113737  -0.424   0.452  -2.538
+ 2476TIP3    H213738  -0.505   0.571  -2.583
+ 2477TIP3   OH213739   0.009   0.512  -4.353
+ 2477TIP3    H113740   0.009   0.505  -4.256
+ 2477TIP3    H213741   0.068   0.587  -4.368
+ 2478TIP3   OH213742   0.235   0.560  -2.584
+ 2478TIP3    H113743   0.200   0.582  -2.672
+ 2478TIP3    H213744   0.242   0.462  -2.590
+ 2479TIP3   OH213745   0.494   0.683  -4.313
+ 2479TIP3    H113746   0.522   0.701  -4.221
+ 2479TIP3    H213747   0.570   0.633  -4.346
+ 2480TIP3   OH213748   0.770   0.514  -2.844
+ 2480TIP3    H113749   0.846   0.571  -2.863
+ 2480TIP3    H213750   0.697   0.577  -2.844
+ 2481TIP3   OH213751  -0.339   0.250  -2.598
+ 2481TIP3    H113752  -0.271   0.180  -2.596
+ 2481TIP3    H213753  -0.347   0.271  -2.504
+ 2482TIP3   OH213754   0.099   0.391  -4.084
+ 2482TIP3    H113755   0.037   0.341  -4.028
+ 2482TIP3    H213756   0.122   0.324  -4.151
+ 2483TIP3   OH213757   0.024   0.164  -2.854
+ 2483TIP3    H113758  -0.028   0.242  -2.830
+ 2483TIP3    H213759   0.095   0.202  -2.909
+ 2484TIP3   OH213760   0.205   0.215  -4.318
+ 2484TIP3    H113761   0.240   0.163  -4.393
+ 2484TIP3    H213762   0.284   0.205  -4.260
+ 2485TIP3   OH213763   0.553   0.431  -2.501
+ 2485TIP3    H113764   0.642   0.408  -2.530
+ 2485TIP3    H213765   0.525   0.348  -2.461
+ 2486TIP3   OH213766   0.104  -0.099  -2.723
+ 2486TIP3    H113767   0.102  -0.168  -2.791
+ 2486TIP3    H213768   0.080  -0.019  -2.772
+ 2487TIP3   OH213769   0.112  -0.262  -2.993
+ 2487TIP3    H113770   0.162  -0.206  -3.055
+ 2487TIP3    H213771   0.020  -0.257  -3.027
+ 2488TIP3   OH213772   0.266   0.282  -2.958
+ 2488TIP3    H113773   0.353   0.275  -3.001
+ 2488TIP3    H213774   0.238   0.372  -2.984
+ 2489TIP3   OH213775   0.720   0.073  -2.484
+ 2489TIP3    H113776   0.743  -0.018  -2.465
+ 2489TIP3    H213777   0.805   0.118  -2.471
+ 2490TIP3   OH213778   0.824   0.355  -2.627
+ 2490TIP3    H113779   0.789   0.414  -2.697
+ 2490TIP3    H213780   0.913   0.337  -2.663
+ 2491TIP3   OH213781  -0.086   0.079  -2.559
+ 2491TIP3    H113782  -0.137   0.002  -2.529
+ 2491TIP3    H213783  -0.000   0.037  -2.577
+ 2492TIP3   OH213784   0.190  -0.525  -2.964
+ 2492TIP3    H113785   0.168  -0.430  -2.975
+ 2492TIP3    H213786   0.116  -0.567  -3.013
+ 2493TIP3   OH213787   0.536  -0.167  -2.674
+ 2493TIP3    H113788   0.449  -0.199  -2.646
+ 2493TIP3    H213789   0.595  -0.227  -2.625
+ 2494TIP3   OH213790   0.750  -0.308  -2.521
+ 2494TIP3    H113791   0.735  -0.404  -2.509
+ 2494TIP3    H213792   0.734  -0.271  -2.432
+ 2495TIP3   OH213793  -0.248  -0.184  -2.573
+ 2495TIP3    H113794  -0.242  -0.260  -2.634
+ 2495TIP3    H213795  -0.256  -0.228  -2.487
+ 2496TIP3   OH213796   0.174  -0.590  -2.673
+ 2496TIP3    H113797   0.240  -0.662  -2.668
+ 2496TIP3    H213798   0.178  -0.567  -2.768
+ 2497TIP3   OH213799   0.274  -0.367  -2.533
+ 2497TIP3    H113800   0.238  -0.451  -2.565
+ 2497TIP3    H213801   0.196  -0.320  -2.505
+ 2498TIP3   OH213802   0.180   1.314  -4.172
+ 2498TIP3    H113803   0.276   1.325  -4.164
+ 2498TIP3    H213804   0.156   1.373  -4.245
+ 2499TIP3   OH213805  -0.439   0.716  -4.197
+ 2499TIP3    H113806  -0.350   0.755  -4.197
+ 2499TIP3    H213807  -0.442   0.665  -4.279
+ 2500TIP3   OH213808  -0.539   1.273  -3.717
+ 2500TIP3    H113809  -0.607   1.234  -3.776
+ 2500TIP3    H213810  -0.529   1.202  -3.650
+ 2501TIP3   OH213811  -0.500   1.073  -3.520
+ 2501TIP3    H113812  -0.527   0.985  -3.489
+ 2501TIP3    H213813  -0.463   1.107  -3.436
+ 2502TIP3   OH213814   1.255   1.205  -3.219
+ 2502TIP3    H113815   1.275   1.196  -3.125
+ 2502TIP3    H213816   1.342   1.226  -3.256
+ 2503TIP3   OH213817   1.243   1.148  -2.927
+ 2503TIP3    H113818   1.192   1.075  -2.966
+ 2503TIP3    H213819   1.303   1.097  -2.869
+ 2504TIP3   OH213820   1.048   0.684  -2.505
+ 2504TIP3    H113821   0.962   0.680  -2.461
+ 2504TIP3    H213822   1.092   0.760  -2.463
+ 2505TIP3   OH213823   1.183   0.571  -3.929
+ 2505TIP3    H113824   1.273   0.606  -3.919
+ 2505TIP3    H213825   1.181   0.506  -3.856
+ 2506TIP3   OH213826   1.230   0.372  -3.731
+ 2506TIP3    H113827   1.164   0.315  -3.687
+ 2506TIP3    H213828   1.299   0.383  -3.663
+ 2507TIP3   OH213829   1.204   0.623  -3.234
+ 2507TIP3    H113830   1.265   0.571  -3.289
+ 2507TIP3    H213831   1.220   0.714  -3.267
+ 2508TIP3   OH213832   1.064   0.927  -3.005
+ 2508TIP3    H113833   0.986   0.942  -2.952
+ 2508TIP3    H213834   1.026   0.886  -3.085
+ 2509TIP3   OH213835   1.258   0.336  -4.106
+ 2509TIP3    H113836   1.199   0.367  -4.177
+ 2509TIP3    H213837   1.241   0.405  -4.039
+ 2510TIP3   OH213838   1.082   0.078  -4.213
+ 2510TIP3    H113839   1.113   0.148  -4.272
+ 2510TIP3    H213840   1.113  -0.001  -4.258
+ 2511TIP3   OH213841   1.023   0.185  -3.650
+ 2511TIP3    H113842   1.016   0.090  -3.667
+ 2511TIP3    H213843   0.986   0.194  -3.560
+ 2512TIP3   OH213844  -0.491   0.409  -3.280
+ 2512TIP3    H113845  -0.464   0.412  -3.373
+ 2512TIP3    H213846  -0.405   0.386  -3.238
+ 2513TIP3   OH213847   1.085   0.380  -2.742
+ 2513TIP3    H113848   1.155   0.317  -2.716
+ 2513TIP3    H213849   1.132   0.465  -2.741
+ 2514TIP3   OH213850   1.238   0.192  -2.616
+ 2514TIP3    H113851   1.161   0.136  -2.639
+ 2514TIP3    H213852   1.310   0.126  -2.616
+ 2515TIP3   OH213853   1.003  -0.220  -4.320
+ 2515TIP3    H113854   1.064  -0.269  -4.265
+ 2515TIP3    H213855   0.923  -0.276  -4.321
+ 2516TIP3   OH213856   1.004  -0.061  -3.836
+ 2516TIP3    H113857   1.031  -0.156  -3.829
+ 2516TIP3    H213858   1.085  -0.023  -3.873
+ 2517TIP3   OH213859   1.035  -0.003  -3.289
+ 2517TIP3    H113860   1.132   0.007  -3.291
+ 2517TIP3    H213861   1.020  -0.001  -3.193
+ 2518TIP3   OH213862   1.049   0.066  -3.008
+ 2518TIP3    H113863   0.965   0.105  -2.980
+ 2518TIP3    H213864   1.103   0.145  -3.026
+ 2519TIP3   OH213865  -0.497  -0.057  -2.643
+ 2519TIP3    H113866  -0.404  -0.083  -2.629
+ 2519TIP3    H213867  -0.542  -0.142  -2.628
+ 2520TIP3   OH213868   1.302  -0.514  -2.468
+ 2520TIP3    H113869   1.349  -0.579  -2.523
+ 2520TIP3    H213870   1.316  -0.431  -2.518
+ 2521TIP3   OH213871   1.056  -0.337  -3.830
+ 2521TIP3    H113872   1.069  -0.374  -3.741
+ 2521TIP3    H213873   0.981  -0.391  -3.863
+ 2522TIP3   OH213874  -0.422  -0.224  -3.362
+ 2522TIP3    H113875  -0.377  -0.309  -3.350
+ 2522TIP3    H213876  -0.355  -0.164  -3.324
+ 2523TIP3   OH213877  -0.569   0.044  -3.257
+ 2523TIP3    H113878  -0.509   0.040  -3.333
+ 2523TIP3    H213879  -0.532   0.118  -3.208
+ 2524TIP3   OH213880   1.248  -0.313  -2.658
+ 2524TIP3    H113881   1.160  -0.273  -2.649
+ 2524TIP3    H213882   1.233  -0.371  -2.735
+ 2525TIP3   OH213883   1.260  -0.300  -4.175
+ 2525TIP3    H113884   1.286  -0.370  -4.236
+ 2525TIP3    H213885   1.341  -0.247  -4.170
+ 2526TIP3   OH213886  -0.519  -0.323  -3.853
+ 2526TIP3    H113887  -0.614  -0.320  -3.871
+ 2526TIP3    H213888  -0.482  -0.262  -3.920
+ 2527TIP3   OH213889   0.943   1.202  -3.642
+ 2527TIP3    H113890   0.991   1.174  -3.721
+ 2527TIP3    H213891   1.014   1.240  -3.588
+ 2528TIP3   OH213892  -0.515  -0.437  -3.038
+ 2528TIP3    H113893  -0.583  -0.460  -2.973
+ 2528TIP3    H213894  -0.567  -0.383  -3.100
+ 2529TIP3   OH213895  -0.316   0.885  -2.566
+ 2529TIP3    H113896  -0.385   0.869  -2.631
+ 2529TIP3    H213897  -0.360   0.866  -2.483
+ 2530TIP3   OH213898  -0.032   0.973  -3.001
+ 2530TIP3    H113899  -0.061   1.059  -3.034
+ 2530TIP3    H213900   0.064   0.981  -3.017
+ 2531TIP3   OH213901   0.455   1.142  -2.702
+ 2531TIP3    H113902   0.443   1.101  -2.615
+ 2531TIP3    H213903   0.547   1.119  -2.722
+ 2532TIP3   OH213904   1.131  -0.491  -2.856
+ 2532TIP3    H113905   1.050  -0.473  -2.907
+ 2532TIP3    H213906   1.154  -0.581  -2.888
+ 2533TIP3   OH213907  -0.293   1.269  -2.967
+ 2533TIP3    H113908  -0.352   1.332  -3.010
+ 2533TIP3    H213909  -0.327   1.271  -2.876
+ 2534TIP3   OH213910  -0.042   1.248  -3.108
+ 2534TIP3    H113911  -0.127   1.265  -3.064
+ 2534TIP3    H213912  -0.040   1.316  -3.177
+ 2535TIP3   OH213913   0.427   1.242  -3.159
+ 2535TIP3    H113914   0.389   1.291  -3.235
+ 2535TIP3    H213915   0.436   1.312  -3.093
+ 2536TIP3   OH213916   0.656   1.127  -3.047
+ 2536TIP3    H113917   0.574   1.156  -3.092
+ 2536TIP3    H213918   0.716   1.200  -3.068
+ 2537TIP3   OH213919   0.915   1.290  -3.046
+ 2537TIP3    H113920   0.915   1.385  -3.069
+ 2537TIP3    H213921   0.945   1.252  -3.131
+ 2538TIP3   OH213922  -0.336   1.148  -3.272
+ 2538TIP3    H113923  -0.337   1.099  -3.186
+ 2538TIP3    H213924  -0.261   1.104  -3.316
+ 2539TIP3   OH213925  -0.134   1.024  -3.427
+ 2539TIP3    H113926  -0.150   0.930  -3.401
+ 2539TIP3    H213927  -0.043   1.038  -3.397
+ 2540TIP3   OH213928   0.142   1.070  -3.340
+ 2540TIP3    H113929   0.160   0.977  -3.361
+ 2540TIP3    H213930   0.148   1.067  -3.243
+ 2541TIP3   OH213931   0.474  -0.340  -3.412
+ 2541TIP3    H113932   0.405  -0.408  -3.395
+ 2541TIP3    H213933   0.536  -0.389  -3.469
+ 2542TIP3   OH213934   0.969  -0.539  -3.362
+ 2542TIP3    H113935   1.046  -0.495  -3.404
+ 2542TIP3    H213936   0.895  -0.509  -3.417
+ 2543TIP3   OH213937   1.177  -0.429  -3.576
+ 2543TIP3    H113938   1.249  -0.470  -3.627
+ 2543TIP3    H213939   1.209  -0.337  -3.567
+ 2544TIP3   OH213940  -0.289  -0.469  -3.655
+ 2544TIP3    H113941  -0.376  -0.483  -3.697
+ 2544TIP3    H213942  -0.247  -0.556  -3.667
+ 2545TIP3   OH213943  -0.414  -0.513  -4.082
+ 2545TIP3    H113944  -0.354  -0.450  -4.126
+ 2545TIP3    H213945  -0.445  -0.461  -4.006
+ 2546TIP3   OH213946   0.155  -0.485  -3.665
+ 2546TIP3    H113947   0.247  -0.457  -3.680
+ 2546TIP3    H213948   0.154  -0.495  -3.569
+ 2547TIP3   OH213949   0.716  -0.483  -3.524
+ 2547TIP3    H113950   0.742  -0.498  -3.616
+ 2547TIP3    H213951   0.678  -0.569  -3.499
+ 2548TIP3   OH213952   0.821  -0.484  -3.920
+ 2548TIP3    H113953   0.743  -0.439  -3.954
+ 2548TIP3    H213954   0.789  -0.576  -3.916
+ 2549TIP3   OH213955  -0.405   1.071  -3.957
+ 2549TIP3    H113956  -0.477   1.074  -4.023
+ 2549TIP3    H213957  -0.389   1.166  -3.945
+ 2550TIP3   OH213958  -0.243  -0.342  -4.230
+ 2550TIP3    H113959  -0.188  -0.402  -4.282
+ 2550TIP3    H213960  -0.176  -0.294  -4.179
+ 2551TIP3   OH213961   0.267  -0.324  -3.959
+ 2551TIP3    H113962   0.308  -0.378  -3.890
+ 2551TIP3    H213963   0.293  -0.236  -3.927
+ 2552TIP3   OH213964   0.463   1.241  -4.146
+ 2552TIP3    H113965   0.560   1.254  -4.138
+ 2552TIP3    H213966   0.461   1.181  -4.222
+ 2553TIP3   OH213967   1.138   1.155  -3.880
+ 2553TIP3    H113968   1.111   1.071  -3.923
+ 2553TIP3    H213969   1.112   1.221  -3.948
+ 2554TIP3   OH213970  -0.319  -0.448  -2.712
+ 2554TIP3    H113971  -0.359  -0.525  -2.670
+ 2554TIP3    H213972  -0.226  -0.459  -2.682
+ 2555TIP3   OH213973  -0.084  -0.517  -2.560
+ 2555TIP3    H113974   0.004  -0.545  -2.591
+ 2555TIP3    H213975  -0.093  -0.569  -2.479
+ 2556TIP3   OH213976  -0.166   1.193  -4.192
+ 2556TIP3    H113977  -0.257   1.211  -4.164
+ 2556TIP3    H213978  -0.167   1.106  -4.232
+ 2557TIP3   OH213979   0.741  -0.592  -2.507
+ 2557TIP3    H113980   0.738  -0.629  -2.418
+ 2557TIP3    H213981   0.836  -0.598  -2.529
+ 2558TIP3   OH213982   1.078   1.051  -2.640
+ 2558TIP3    H113983   1.002   1.036  -2.699
+ 2558TIP3    H213984   1.094   1.146  -2.648
+ 2559TIP3   OH213985   2.497   0.405  -3.628
+ 2559TIP3    H113986   2.495   0.501  -3.617
+ 2559TIP3    H213987   2.421   0.390  -3.685
+ 2560TIP3   OH213988   2.382   0.349  -3.319
+ 2560TIP3    H113989   2.381   0.292  -3.241
+ 2560TIP3    H213990   2.355   0.287  -3.389
+ 2561TIP3   OH213991   1.628   0.308  -3.153
+ 2561TIP3    H113992   1.627   0.232  -3.091
+ 2561TIP3    H213993   1.700   0.361  -3.115
+ 2562TIP3   OH213994   2.751   0.624  -3.488
+ 2562TIP3    H113995   2.713   0.552  -3.437
+ 2562TIP3    H213996   2.778   0.684  -3.418
+ 2563TIP3   OH213997   1.694   0.771  -3.302
+ 2563TIP3    H113998   1.671   0.680  -3.328
+ 2563TIP3    H213999   1.788   0.759  -3.281
+ 2564TIP3   OH214000   1.394   0.112  -3.761
+ 2564TIP3    H114001   1.353   0.199  -3.754
+ 2564TIP3    H214002   1.326   0.062  -3.808
+ 2565TIP3   OH214003   1.476   0.358  -3.577
+ 2565TIP3    H114004   1.490   0.273  -3.530
+ 2565TIP3    H214005   1.558   0.366  -3.627
+ 2566TIP3   OH214006   2.458   1.161  -3.430
+ 2566TIP3    H114007   2.514   1.088  -3.464
+ 2566TIP3    H214008   2.428   1.124  -3.346
+ 2567TIP3   OH214009   2.230   0.600  -3.263
+ 2567TIP3    H114010   2.262   0.528  -3.321
+ 2567TIP3    H214011   2.312   0.614  -3.211
+ 2568TIP3   OH214012   3.097  -0.246  -3.202
+ 2568TIP3    H114013   3.124  -0.187  -3.130
+ 2568TIP3    H214014   3.162  -0.221  -3.271
+ 2569TIP3   OH214015   2.560   0.034  -3.213
+ 2569TIP3    H114016   2.574  -0.062  -3.206
+ 2569TIP3    H214017   2.551   0.045  -3.309
+ 2570TIP3   OH214018   1.857  -0.166  -3.505
+ 2570TIP3    H114019   1.872  -0.081  -3.550
+ 2570TIP3    H214020   1.822  -0.218  -3.579
+ 2571TIP3   OH214021   2.641  -0.150  -3.674
+ 2571TIP3    H114022   2.699  -0.193  -3.607
+ 2571TIP3    H214023   2.707  -0.107  -3.730
+ 2572TIP3   OH214024   1.527   0.108  -3.454
+ 2572TIP3    H114025   1.589   0.060  -3.397
+ 2572TIP3    H214026   1.535   0.059  -3.537
+ 2573TIP3   OH214027   2.065   0.246  -3.508
+ 2573TIP3    H114028   2.135   0.191  -3.469
+ 2573TIP3    H214029   2.015   0.179  -3.559
+ 2574TIP3   OH214030   3.171  -0.109  -2.951
+ 2574TIP3    H114031   3.109  -0.040  -2.979
+ 2574TIP3    H214032   3.149  -0.116  -2.857
+ 2575TIP3   OH214033   1.738  -0.287  -3.090
+ 2575TIP3    H114034   1.697  -0.236  -3.161
+ 2575TIP3    H214035   1.673  -0.275  -3.018
+ 2576TIP3   OH214036   2.488   0.691  -3.750
+ 2576TIP3    H114037   2.456   0.666  -3.838
+ 2576TIP3    H214038   2.440   0.774  -3.733
+ 2577TIP3   OH214039   2.032   0.502  -3.076
+ 2577TIP3    H114040   1.958   0.561  -3.052
+ 2577TIP3    H214041   2.093   0.563  -3.121
+ 2578TIP3   OH214042   2.825  -0.224  -3.470
+ 2578TIP3    H114043   2.786  -0.285  -3.406
+ 2578TIP3    H214044   2.878  -0.166  -3.413
+ 2579TIP3   OH214045   1.698  -0.081  -3.295
+ 2579TIP3    H114046   1.763  -0.025  -3.249
+ 2579TIP3    H214047   1.755  -0.119  -3.366
+ 2580TIP3   OH214048   1.830   0.689  -3.003
+ 2580TIP3    H114049   1.825   0.781  -3.034
+ 2580TIP3    H214050   1.743   0.681  -2.960
+ 2581TIP3   OH214051   1.457   0.659  -3.918
+ 2581TIP3    H114052   1.442   0.700  -4.006
+ 2581TIP3    H214053   1.475   0.735  -3.859
+ 2582TIP3   OH214054   2.806   0.804  -3.237
+ 2582TIP3    H114055   2.709   0.815  -3.236
+ 2582TIP3    H214056   2.833   0.890  -3.275
+ 2583TIP3   OH214057   2.840  -0.306  -3.085
+ 2583TIP3    H114058   2.762  -0.270  -3.131
+ 2583TIP3    H214059   2.911  -0.290  -3.149
+ 2584TIP3   OH214060   2.152  -0.537  -3.381
+ 2584TIP3    H114061   2.129  -0.632  -3.385
+ 2584TIP3    H214062   2.070  -0.499  -3.342
+ 2585TIP3   OH214063   2.635   0.998  -3.580
+ 2585TIP3    H114064   2.682   0.918  -3.612
+ 2585TIP3    H214065   2.703   1.067  -3.594
+ 2586TIP3   OH214066   2.781   0.785  -3.720
+ 2586TIP3    H114067   2.730   0.739  -3.788
+ 2586TIP3    H214068   2.776   0.722  -3.646
+ 2587TIP3   OH214069   2.936   0.667  -2.871
+ 2587TIP3    H114070   2.924   0.601  -2.942
+ 2587TIP3    H214071   2.948   0.749  -2.922
+ 2588TIP3   OH214072   2.365   0.356  -3.904
+ 2588TIP3    H114073   2.297   0.415  -3.941
+ 2588TIP3    H214074   2.436   0.363  -3.970
+ 2589TIP3   OH214075   2.383   0.178  -4.206
+ 2589TIP3    H114076   2.452   0.210  -4.145
+ 2589TIP3    H214077   2.436   0.118  -4.262
+ 2590TIP3   OH214078   3.112   0.285  -3.076
+ 2590TIP3    H114079   3.039   0.349  -3.068
+ 2590TIP3    H214080   3.158   0.318  -3.155
+ 2591TIP3   OH214081   2.714   0.358  -3.794
+ 2591TIP3    H114082   2.644   0.377  -3.727
+ 2591TIP3    H214083   2.772   0.299  -3.742
+ 2592TIP3   OH214084   2.697   0.211  -2.910
+ 2592TIP3    H114085   2.701   0.293  -2.858
+ 2592TIP3    H214086   2.631   0.238  -2.976
+ 2593TIP3   OH214087   1.872   0.434  -3.616
+ 2593TIP3    H114088   1.841   0.391  -3.698
+ 2593TIP3    H214089   1.937   0.369  -3.583
+ 2594TIP3   OH214090   2.009   0.775  -3.342
+ 2594TIP3    H114091   1.997   0.736  -3.429
+ 2594TIP3    H214092   2.088   0.728  -3.310
+ 2595TIP3   OH214093   1.930   0.315  -3.267
+ 2595TIP3    H114094   1.987   0.317  -3.346
+ 2595TIP3    H214095   1.972   0.381  -3.208
+ 2596TIP3   OH214096   2.525   0.867  -3.209
+ 2596TIP3    H114097   2.528   0.932  -3.137
+ 2596TIP3    H214098   2.503   0.784  -3.163
+ 2597TIP3   OH214099   2.015   0.748  -2.783
+ 2597TIP3    H114100   1.962   0.814  -2.736
+ 2597TIP3    H214101   1.952   0.719  -2.852
+ 2598TIP3   OH214102   2.621   0.303  -4.057
+ 2598TIP3    H114103   2.663   0.328  -3.972
+ 2598TIP3    H214104   2.680   0.346  -4.121
+ 2599TIP3   OH214105   1.708   0.390  -2.874
+ 2599TIP3    H114106   1.712   0.443  -2.792
+ 2599TIP3    H214107   1.613   0.370  -2.878
+ 2600TIP3   OH214108   2.353   0.961  -3.694
+ 2600TIP3    H114109   2.404   0.989  -3.617
+ 2600TIP3    H214110   2.306   1.042  -3.721
+ 2601TIP3   OH214111   1.825   0.967  -2.701
+ 2601TIP3    H114112   1.814   0.969  -2.798
+ 2601TIP3    H214113   1.737   0.938  -2.670
+ 2602TIP3   OH214114   2.964  -0.533  -4.075
+ 2602TIP3    H114115   2.868  -0.523  -4.056
+ 2602TIP3    H214116   2.987  -0.443  -4.102
+ 2603TIP3   OH214117   1.763   0.309  -3.860
+ 2603TIP3    H114118   1.742   0.384  -3.920
+ 2603TIP3    H214119   1.699   0.243  -3.889
+ 2604TIP3   OH214120   3.072   0.903  -4.253
+ 2604TIP3    H114121   3.098   0.982  -4.204
+ 2604TIP3    H214122   3.142   0.838  -4.235
+ 2605TIP3   OH214123   1.369   0.575  -2.990
+ 2605TIP3    H114124   1.326   0.573  -3.077
+ 2605TIP3    H214125   1.385   0.480  -2.973
+ 2606TIP3   OH214126   1.376   0.870  -3.296
+ 2606TIP3    H114127   1.467   0.837  -3.294
+ 2606TIP3    H214128   1.375   0.928  -3.219
+ 2607TIP3   OH214129   3.214   0.929  -2.721
+ 2607TIP3    H114130   3.203   0.834  -2.737
+ 2607TIP3    H214131   3.123   0.952  -2.691
+ 2608TIP3   OH214132   2.279   0.852  -2.839
+ 2608TIP3    H114133   2.286   0.934  -2.787
+ 2608TIP3    H214134   2.188   0.822  -2.817
+ 2609TIP3   OH214135   2.308   1.232  -3.846
+ 2609TIP3    H114136   2.309   1.239  -3.943
+ 2609TIP3    H214137   2.316   1.325  -3.817
+ 2610TIP3   OH214138   1.686   1.148  -3.679
+ 2610TIP3    H114139   1.705   1.102  -3.595
+ 2610TIP3    H214140   1.605   1.102  -3.707
+ 2611TIP3   OH214141   2.641   1.191  -4.143
+ 2611TIP3    H114142   2.683   1.132  -4.210
+ 2611TIP3    H214143   2.639   1.133  -4.066
+ 2612TIP3   OH214144   2.583   1.124  -3.857
+ 2612TIP3    H114145   2.487   1.135  -3.843
+ 2612TIP3    H214146   2.602   1.050  -3.798
+ 2613TIP3   OH214147   2.894   0.066  -2.679
+ 2613TIP3    H114148   2.841   0.104  -2.751
+ 2613TIP3    H214149   2.898  -0.028  -2.705
+ 2614TIP3   OH214150   1.587   0.733  -2.863
+ 2614TIP3    H114151   1.617   0.683  -2.784
+ 2614TIP3    H214152   1.516   0.676  -2.898
+ 2615TIP3   OH214153   1.910  -0.423  -3.289
+ 2615TIP3    H114154   1.827  -0.429  -3.340
+ 2615TIP3    H214155   1.887  -0.350  -3.229
+ 2616TIP3   OH214156   2.349  -0.468  -2.924
+ 2616TIP3    H114157   2.400  -0.520  -2.859
+ 2616TIP3    H214158   2.258  -0.500  -2.910
+ 2617TIP3   OH214159   2.662  -0.085  -2.872
+ 2617TIP3    H114160   2.602  -0.102  -2.798
+ 2617TIP3    H214161   2.654   0.011  -2.887
+ 2618TIP3   OH214162   2.848   0.384  -4.251
+ 2618TIP3    H114163   2.794   0.366  -4.330
+ 2618TIP3    H214164   2.874   0.475  -4.270
+ 2619TIP3   OH214165   2.329  -0.226  -4.216
+ 2619TIP3    H114166   2.273  -0.222  -4.137
+ 2619TIP3    H214167   2.285  -0.294  -4.267
+ 2620TIP3   OH214168   1.895   0.056  -3.149
+ 2620TIP3    H114169   1.838   0.067  -3.071
+ 2620TIP3    H214170   1.902   0.147  -3.183
+ 2621TIP3   OH214171   1.890   0.064  -3.660
+ 2621TIP3    H114172   1.794   0.054  -3.677
+ 2621TIP3    H214173   1.925   0.044  -3.750
+ 2622TIP3   OH214174   2.458   0.119  -3.785
+ 2622TIP3    H114175   2.417   0.201  -3.819
+ 2622TIP3    H214176   2.521   0.098  -3.856
+ 2623TIP3   OH214177   2.369   0.141  -2.646
+ 2623TIP3    H114178   2.318   0.065  -2.611
+ 2623TIP3    H214179   2.456   0.127  -2.605
+ 2624TIP3   OH214180   2.536   0.059  -3.506
+ 2624TIP3    H114181   2.508   0.116  -3.580
+ 2624TIP3    H214182   2.557  -0.022  -3.555
+ 2625TIP3   OH214183   1.628   0.074  -2.963
+ 2625TIP3    H114184   1.660   0.100  -2.876
+ 2625TIP3    H214185   1.595  -0.016  -2.945
+ 2626TIP3   OH214186   2.002  -0.189  -4.314
+ 2626TIP3    H114187   1.966  -0.214  -4.227
+ 2626TIP3    H214188   1.928  -0.135  -4.349
+ 2627TIP3   OH214189   1.314  -0.181  -3.600
+ 2627TIP3    H114190   1.376  -0.184  -3.525
+ 2627TIP3    H214191   1.364  -0.219  -3.674
+ 2628TIP3   OH214192   1.472  -0.137  -4.037
+ 2628TIP3    H114193   1.527  -0.089  -4.102
+ 2628TIP3    H214194   1.404  -0.070  -4.018
+ 2629TIP3   OH214195   2.447   0.227  -3.057
+ 2629TIP3    H114196   2.490   0.155  -3.109
+ 2629TIP3    H214197   2.411   0.178  -2.982
+ 2630TIP3   OH214198   2.166  -0.178  -3.557
+ 2630TIP3    H114199   2.072  -0.182  -3.534
+ 2630TIP3    H214200   2.208  -0.197  -3.471
+ 2631TIP3   OH214201   1.623  -0.056  -3.689
+ 2631TIP3    H114202   1.542  -0.029  -3.736
+ 2631TIP3    H214203   1.652  -0.134  -3.739
+ 2632TIP3   OH214204   1.984  -0.014  -3.921
+ 2632TIP3    H114205   2.081  -0.010  -3.917
+ 2632TIP3    H214206   1.961   0.041  -3.998
+ 2633TIP3   OH214207   2.605  -0.263  -3.255
+ 2633TIP3    H114208   2.541  -0.263  -3.180
+ 2633TIP3    H214209   2.548  -0.297  -3.326
+ 2634TIP3   OH214210   1.845   0.096  -4.157
+ 2634TIP3    H114211   1.780   0.050  -4.213
+ 2634TIP3    H214212   1.916   0.118  -4.219
+ 2635TIP3   OH214213   2.904   1.317  -2.588
+ 2635TIP3    H114214   2.929   1.359  -2.672
+ 2635TIP3    H214215   2.977   1.344  -2.530
+ 2636TIP3   OH214216   1.698   0.581  -2.646
+ 2636TIP3    H114217   1.764   0.586  -2.574
+ 2636TIP3    H214218   1.616   0.570  -2.593
+ 2637TIP3   OH214219   2.268   0.077  -3.374
+ 2637TIP3    H114220   2.341   0.034  -3.421
+ 2637TIP3    H214221   2.252   0.016  -3.300
+ 2638TIP3   OH214222   1.799  -0.281  -3.762
+ 2638TIP3    H114223   1.744  -0.359  -3.747
+ 2638TIP3    H214224   1.882  -0.319  -3.796
+ 2639TIP3   OH214225   2.166  -0.076  -3.151
+ 2639TIP3    H114226   2.088  -0.019  -3.148
+ 2639TIP3    H214227   2.214  -0.052  -3.070
+ 2640TIP3   OH214228   2.179   0.562  -3.961
+ 2640TIP3    H114229   2.103   0.512  -3.997
+ 2640TIP3    H214230   2.160   0.565  -3.864
+ 2641TIP3   OH214231   2.901   0.479  -3.086
+ 2641TIP3    H114232   2.951   0.532  -3.152
+ 2641TIP3    H214233   2.816   0.466  -3.132
+ 2642TIP3   OH214234   2.594  -0.161  -4.181
+ 2642TIP3    H114235   2.496  -0.162  -4.186
+ 2642TIP3    H214236   2.615  -0.084  -4.125
+ 2643TIP3   OH214237   2.345   0.564  -2.829
+ 2643TIP3    H114238   2.314   0.529  -2.744
+ 2643TIP3    H214239   2.312   0.655  -2.828
+ 2644TIP3   OH214240   2.655   0.025  -3.986
+ 2644TIP3    H114241   2.743   0.006  -3.946
+ 2644TIP3    H214242   2.671   0.111  -4.030
+ 2645TIP3   OH214243   1.695   0.502  -3.378
+ 2645TIP3    H114244   1.749   0.490  -3.458
+ 2645TIP3    H214245   1.703   0.415  -3.335
+ 2646TIP3   OH214246   2.423   0.696  -4.068
+ 2646TIP3    H114247   2.394   0.784  -4.037
+ 2646TIP3    H214248   2.345   0.642  -4.042
+ 2647TIP3   OH214249   1.421   0.328  -2.848
+ 2647TIP3    H114250   1.433   0.283  -2.762
+ 2647TIP3    H214251   1.360   0.269  -2.894
+ 2648TIP3   OH214252   2.118   0.283  -2.657
+ 2648TIP3    H114253   2.083   0.254  -2.743
+ 2648TIP3    H214254   2.209   0.250  -2.662
+ 2649TIP3   OH214255   2.571   0.826  -2.882
+ 2649TIP3    H114256   2.474   0.829  -2.888
+ 2649TIP3    H214257   2.586   0.846  -2.789
+ 2650TIP3   OH214258   3.129   0.033  -3.999
+ 2650TIP3    H114259   3.066   0.013  -4.071
+ 2650TIP3    H214260   3.139   0.128  -4.017
+ 2651TIP3   OH214261   3.168   0.633  -2.724
+ 2651TIP3    H114262   3.074   0.653  -2.743
+ 2651TIP3    H214263   3.201   0.612  -2.814
+ 2652TIP3   OH214264   2.957   0.889  -3.990
+ 2652TIP3    H114265   2.918   0.814  -3.941
+ 2652TIP3    H214266   2.980   0.847  -4.074
+ 2653TIP3   OH214267   2.667   0.421  -3.257
+ 2653TIP3    H114268   2.574   0.405  -3.280
+ 2653TIP3    H214269   2.711   0.349  -3.305
+ 2654TIP3   OH214270   1.930   0.830  -3.649
+ 2654TIP3    H114271   1.973   0.915  -3.666
+ 2654TIP3    H214272   1.839   0.847  -3.678
+ 2655TIP3   OH214273   1.539   0.318  -4.198
+ 2655TIP3    H114274   1.594   0.385  -4.153
+ 2655TIP3    H214275   1.449   0.342  -4.168
+ 2656TIP3   OH214276   2.115   0.599  -3.688
+ 2656TIP3    H114277   2.083   0.689  -3.675
+ 2656TIP3    H214278   2.043   0.548  -3.647
+ 2657TIP3   OH214279   2.130   1.025  -3.054
+ 2657TIP3    H114280   2.187   1.099  -3.083
+ 2657TIP3    H214281   2.192   0.974  -3.000
+ 2658TIP3   OH214282   1.975   1.119  -3.731
+ 2658TIP3    H114283   1.879   1.133  -3.725
+ 2658TIP3    H214284   2.010   1.207  -3.708
+ 2659TIP3   OH214285   2.472   0.600  -3.097
+ 2659TIP3    H114286   2.442   0.570  -3.010
+ 2659TIP3    H214287   2.544   0.538  -3.116
+ 2660TIP3   OH214288   2.686   0.720  -4.192
+ 2660TIP3    H114289   2.733   0.676  -4.119
+ 2660TIP3    H214290   2.595   0.716  -4.159
+ 2661TIP3   OH214291   2.766   1.057  -2.858
+ 2661TIP3    H114292   2.691   1.009  -2.899
+ 2661TIP3    H214293   2.774   1.135  -2.916
+ 2662TIP3   OH214294   3.178   1.174  -4.159
+ 2662TIP3    H114295   3.246   1.244  -4.144
+ 2662TIP3    H214296   3.096   1.222  -4.136
+ 2663TIP3   OH214297   1.551  -0.207  -2.893
+ 2663TIP3    H114298   1.459  -0.182  -2.914
+ 2663TIP3    H214299   1.538  -0.291  -2.846
+ 2664TIP3   OH214300   2.786   0.590  -3.966
+ 2664TIP3    H114301   2.758   0.518  -3.906
+ 2664TIP3    H214302   2.884   0.584  -3.959
+ 2665TIP3   OH214303   1.525   0.969  -3.049
+ 2665TIP3    H114304   1.555   0.878  -3.036
+ 2665TIP3    H214305   1.551   1.008  -2.965
+ 2666TIP3   OH214306   2.140   0.833  -4.321
+ 2666TIP3    H114307   2.172   0.749  -4.357
+ 2666TIP3    H214308   2.076   0.800  -4.255
+ 2667TIP3   OH214309   1.986   0.787  -4.068
+ 2667TIP3    H114310   2.045   0.732  -4.015
+ 2667TIP3    H214311   2.014   0.878  -4.047
+ 2668TIP3   OH214312   1.679   0.522  -4.035
+ 2668TIP3    H114313   1.605   0.566  -3.989
+ 2668TIP3    H214314   1.727   0.599  -4.071
+ 2669TIP3   OH214315   2.447  -0.224  -3.035
+ 2669TIP3    H114316   2.509  -0.197  -2.965
+ 2669TIP3    H214317   2.399  -0.298  -2.994
+ 2670TIP3   OH214318   2.506  -0.268  -3.921
+ 2670TIP3    H114319   2.537  -0.221  -4.000
+ 2670TIP3    H214320   2.559  -0.227  -3.851
+ 2671TIP3   OH214321   2.291   0.947  -4.022
+ 2671TIP3    H114322   2.210   0.998  -4.006
+ 2671TIP3    H214323   2.336   1.004  -4.086
+ 2672TIP3   OH214324   2.251  -0.077  -3.815
+ 2672TIP3    H114325   2.330  -0.021  -3.801
+ 2672TIP3    H214326   2.222  -0.094  -3.724
+ 2673TIP3   OH214327   2.291   0.013  -2.900
+ 2673TIP3    H114328   2.294   0.063  -2.817
+ 2673TIP3    H214329   2.342  -0.066  -2.876
+ 2674TIP3   OH214330   2.314  -0.375  -3.724
+ 2674TIP3    H114331   2.295  -0.307  -3.658
+ 2674TIP3    H214332   2.386  -0.332  -3.775
+ 2675TIP3   OH214333   2.010   1.065  -4.025
+ 2675TIP3    H114334   2.011   1.151  -4.072
+ 2675TIP3    H214335   1.997   1.093  -3.932
+ 2676TIP3   OH214336   1.886  -0.269  -4.079
+ 2676TIP3    H114337   1.878  -0.198  -4.014
+ 2676TIP3    H214338   1.961  -0.320  -4.044
+ 2677TIP3   OH214339   2.917  -0.187  -2.812
+ 2677TIP3    H114340   2.820  -0.175  -2.825
+ 2677TIP3    H214341   2.941  -0.211  -2.902
+ 2678TIP3   OH214342   2.767   0.197  -3.409
+ 2678TIP3    H114343   2.685   0.151  -3.435
+ 2678TIP3    H214344   2.816   0.126  -3.362
+ 2679TIP3   OH214345   1.719   0.823  -4.157
+ 2679TIP3    H114346   1.804   0.843  -4.114
+ 2679TIP3    H214347   1.751   0.771  -4.233
+ 2680TIP3   OH214348   1.544   0.037  -4.251
+ 2680TIP3    H114349   1.558   0.133  -4.238
+ 2680TIP3    H214350   1.455   0.036  -4.291
+ 2681TIP3   OH214351   2.869   1.083  -3.270
+ 2681TIP3    H114352   2.852   1.165  -3.320
+ 2681TIP3    H214353   2.961   1.096  -3.244
+ 2682TIP3   OH214354   1.631  -0.467  -3.371
+ 2682TIP3    H114355   1.612  -0.469  -3.467
+ 2682TIP3    H214356   1.596  -0.553  -3.340
+ 2683TIP3   OH214357   1.523   0.892  -3.741
+ 2683TIP3    H114358   1.438   0.937  -3.730
+ 2683TIP3    H214359   1.557   0.933  -3.822
+ 2684TIP3   OH214360   1.458   1.173  -2.628
+ 2684TIP3    H114361   1.516   1.146  -2.554
+ 2684TIP3    H214362   1.421   1.087  -2.655
+ 2685TIP3   OH214363   1.926   1.073  -2.446
+ 2685TIP3    H114364   2.001   1.014  -2.433
+ 2685TIP3    H214365   1.903   1.054  -2.538
+ 2686TIP3   OH214366   2.352   1.012  -4.313
+ 2686TIP3    H114367   2.271   0.958  -4.322
+ 2686TIP3    H214368   2.415   0.952  -4.356
+ 2687TIP3   OH214369   2.575   0.908  -2.590
+ 2687TIP3    H114370   2.539   0.825  -2.555
+ 2687TIP3    H214371   2.646   0.928  -2.527
+ 2688TIP3   OH214372   2.745   0.979  -4.285
+ 2688TIP3    H114373   2.780   0.901  -4.240
+ 2688TIP3    H214374   2.824   1.028  -4.316
+ 2689TIP3   OH214375   1.458   0.538  -2.516
+ 2689TIP3    H114376   1.468   0.444  -2.541
+ 2689TIP3    H214377   1.383   0.565  -2.572
+ 2690TIP3   OH214378   1.878   0.593  -4.298
+ 2690TIP3    H114379   1.902   0.518  -4.242
+ 2690TIP3    H214380   1.938   0.585  -4.374
+ 2691TIP3   OH214381   2.114   0.556  -2.581
+ 2691TIP3    H114382   2.088   0.586  -2.669
+ 2691TIP3    H214383   2.126   0.460  -2.595
+ 2692TIP3   OH214384   2.414   0.695  -4.349
+ 2692TIP3    H114385   2.427   0.709  -4.254
+ 2692TIP3    H214386   2.477   0.625  -4.370
+ 2693TIP3   OH214387   2.655   0.517  -2.843
+ 2693TIP3    H114388   2.733   0.571  -2.864
+ 2693TIP3    H214389   2.585   0.583  -2.846
+ 2694TIP3   OH214390   1.539   0.256  -2.587
+ 2694TIP3    H114391   1.607   0.186  -2.588
+ 2694TIP3    H214392   1.520   0.257  -2.491
+ 2695TIP3   OH214393   1.987   0.385  -4.087
+ 2695TIP3    H114394   1.923   0.338  -4.031
+ 2695TIP3    H214395   2.020   0.314  -4.145
+ 2696TIP3   OH214396   1.905   0.162  -2.858
+ 2696TIP3    H114397   1.854   0.242  -2.835
+ 2696TIP3    H214398   1.972   0.198  -2.918
+ 2697TIP3   OH214399   2.103   0.196  -4.273
+ 2697TIP3    H114400   2.104   0.176  -4.368
+ 2697TIP3    H214401   2.199   0.194  -4.253
+ 2698TIP3   OH214402   2.438   0.434  -2.499
+ 2698TIP3    H114403   2.527   0.413  -2.531
+ 2698TIP3    H214404   2.411   0.350  -2.460
+ 2699TIP3   OH214405   1.966  -0.104  -2.741
+ 2699TIP3    H114406   1.971  -0.173  -2.810
+ 2699TIP3    H214407   1.944  -0.025  -2.793
+ 2700TIP3   OH214408   2.000  -0.261  -2.996
+ 2700TIP3    H114409   2.051  -0.209  -3.061
+ 2700TIP3    H214410   1.909  -0.258  -3.032
+ 2701TIP3   OH214411   2.154   0.283  -2.957
+ 2701TIP3    H114412   2.238   0.274  -3.004
+ 2701TIP3    H214413   2.124   0.371  -2.988
+ 2702TIP3   OH214414   2.613   0.077  -2.480
+ 2702TIP3    H114415   2.632  -0.017  -2.462
+ 2702TIP3    H214416   2.703   0.114  -2.483
+ 2703TIP3   OH214417   2.709   0.357  -2.628
+ 2703TIP3    H114418   2.675   0.417  -2.698
+ 2703TIP3    H214419   2.798   0.338  -2.665
+ 2704TIP3   OH214420   1.788   0.076  -2.560
+ 2704TIP3    H114421   1.732  -0.003  -2.554
+ 2704TIP3    H214422   1.867   0.042  -2.605
+ 2705TIP3   OH214423   2.074  -0.528  -2.962
+ 2705TIP3    H114424   2.055  -0.432  -2.977
+ 2705TIP3    H214425   2.003  -0.569  -3.015
+ 2706TIP3   OH214426   2.197  -0.068  -2.581
+ 2706TIP3    H114427   2.166  -0.097  -2.494
+ 2706TIP3    H214428   2.117  -0.090  -2.635
+ 2707TIP3   OH214429   2.451  -0.166  -2.696
+ 2707TIP3    H114430   2.363  -0.162  -2.655
+ 2707TIP3    H214431   2.498  -0.229  -2.638
+ 2708TIP3   OH214432   2.640  -0.318  -2.523
+ 2708TIP3    H114433   2.623  -0.413  -2.509
+ 2708TIP3    H214434   2.618  -0.278  -2.437
+ 2709TIP3   OH214435   1.650  -0.177  -2.576
+ 2709TIP3    H114436   1.644  -0.252  -2.637
+ 2709TIP3    H214437   1.630  -0.219  -2.490
+ 2710TIP3   OH214438   2.055  -0.580  -2.680
+ 2710TIP3    H114439   2.115  -0.656  -2.674
+ 2710TIP3    H214440   2.054  -0.564  -2.776
+ 2711TIP3   OH214441   2.154  -0.390  -2.500
+ 2711TIP3    H114442   2.117  -0.451  -2.568
+ 2711TIP3    H214443   2.082  -0.326  -2.487
+ 2712TIP3   OH214444   2.063   1.321  -4.168
+ 2712TIP3    H114445   2.160   1.323  -4.167
+ 2712TIP3    H214446   2.041   1.368  -4.250
+ 2713TIP3   OH214447   1.451   0.714  -4.193
+ 2713TIP3    H114448   1.539   0.754  -4.200
+ 2713TIP3    H214449   1.444   0.666  -4.277
+ 2714TIP3   OH214450   1.347   1.273  -3.717
+ 2714TIP3    H114451   1.279   1.233  -3.776
+ 2714TIP3    H214452   1.357   1.202  -3.650
+ 2715TIP3   OH214453   1.384   1.075  -3.519
+ 2715TIP3    H114454   1.358   0.986  -3.491
+ 2715TIP3    H214455   1.423   1.107  -3.436
+ 2716TIP3   OH214456   3.141   1.202  -3.219
+ 2716TIP3    H114457   3.157   1.196  -3.124
+ 2716TIP3    H214458   3.228   1.228  -3.252
+ 2717TIP3   OH214459   3.132   1.143  -2.932
+ 2717TIP3    H114460   3.079   1.069  -2.967
+ 2717TIP3    H214461   3.186   1.096  -2.867
+ 2718TIP3   OH214462   2.931   0.688  -2.504
+ 2718TIP3    H114463   2.843   0.692  -2.463
+ 2718TIP3    H214464   2.976   0.767  -2.470
+ 2719TIP3   OH214465   3.072   0.570  -3.930
+ 2719TIP3    H114466   3.162   0.603  -3.913
+ 2719TIP3    H214467   3.064   0.505  -3.857
+ 2720TIP3   OH214468   3.117   0.371  -3.731
+ 2720TIP3    H114469   3.049   0.315  -3.688
+ 2720TIP3    H214470   3.184   0.382  -3.662
+ 2721TIP3   OH214471   3.090   0.623  -3.233
+ 2721TIP3    H114472   3.151   0.572  -3.289
+ 2721TIP3    H214473   3.102   0.713  -3.266
+ 2722TIP3   OH214474   2.962   0.916  -3.011
+ 2722TIP3    H114475   2.888   0.953  -2.960
+ 2722TIP3    H214476   2.915   0.877  -3.088
+ 2723TIP3   OH214477   3.148   0.341  -4.109
+ 2723TIP3    H114478   3.081   0.362  -4.175
+ 2723TIP3    H214479   3.125   0.405  -4.040
+ 2724TIP3   OH214480   2.969   0.078  -4.210
+ 2724TIP3    H114481   2.992   0.148  -4.274
+ 2724TIP3    H214482   2.993  -0.002  -4.258
+ 2725TIP3   OH214483   2.911   0.185  -3.650
+ 2725TIP3    H114484   2.902   0.090  -3.667
+ 2725TIP3    H214485   2.872   0.194  -3.560
+ 2726TIP3   OH214486   1.395   0.409  -3.280
+ 2726TIP3    H114487   1.420   0.411  -3.374
+ 2726TIP3    H214488   1.481   0.385  -3.240
+ 2727TIP3   OH214489   2.971   0.379  -2.737
+ 2727TIP3    H114490   3.043   0.316  -2.720
+ 2727TIP3    H214491   3.018   0.461  -2.753
+ 2728TIP3   OH214492   3.127   0.189  -2.615
+ 2728TIP3    H114493   3.047   0.136  -2.637
+ 2728TIP3    H214494   3.197   0.121  -2.617
+ 2729TIP3   OH214495   2.888  -0.220  -4.320
+ 2729TIP3    H114496   2.949  -0.270  -4.265
+ 2729TIP3    H214497   2.809  -0.276  -4.323
+ 2730TIP3   OH214498   2.890  -0.061  -3.835
+ 2730TIP3    H114499   2.915  -0.156  -3.829
+ 2730TIP3    H214500   2.972  -0.024  -3.873
+ 2731TIP3   OH214501   2.920  -0.002  -3.289
+ 2731TIP3    H114502   3.018   0.005  -3.291
+ 2731TIP3    H214503   2.906  -0.002  -3.193
+ 2732TIP3   OH214504   2.937   0.066  -3.007
+ 2732TIP3    H114505   2.851   0.104  -2.980
+ 2732TIP3    H214506   2.989   0.146  -3.028
+ 2733TIP3   OH214507   1.388  -0.056  -2.643
+ 2733TIP3    H114508   1.481  -0.080  -2.628
+ 2733TIP3    H214509   1.344  -0.142  -2.631
+ 2734TIP3   OH214510   3.198  -0.517  -2.476
+ 2734TIP3    H114511   3.232  -0.586  -2.535
+ 2734TIP3    H214512   3.196  -0.439  -2.535
+ 2735TIP3   OH214513   2.941  -0.336  -3.831
+ 2735TIP3    H114514   2.957  -0.375  -3.743
+ 2735TIP3    H214515   2.866  -0.391  -3.862
+ 2736TIP3   OH214516   1.463  -0.224  -3.359
+ 2736TIP3    H114517   1.508  -0.309  -3.352
+ 2736TIP3    H214518   1.532  -0.164  -3.325
+ 2737TIP3   OH214519   1.317   0.044  -3.255
+ 2737TIP3    H114520   1.375   0.038  -3.333
+ 2737TIP3    H214521   1.355   0.120  -3.209
+ 2738TIP3   OH214522   3.129  -0.315  -2.653
+ 2738TIP3    H114523   3.041  -0.273  -2.648
+ 2738TIP3    H214524   3.117  -0.370  -2.733
+ 2739TIP3   OH214525   3.145  -0.299  -4.176
+ 2739TIP3    H114526   3.170  -0.373  -4.233
+ 2739TIP3    H214527   3.228  -0.249  -4.172
+ 2740TIP3   OH214528   1.367  -0.321  -3.852
+ 2740TIP3    H114529   1.272  -0.319  -3.872
+ 2740TIP3    H214530   1.405  -0.262  -3.919
+ 2741TIP3   OH214531   2.828   1.204  -3.641
+ 2741TIP3    H114532   2.876   1.176  -3.721
+ 2741TIP3    H214533   2.899   1.239  -3.586
+ 2742TIP3   OH214534   1.371  -0.435  -3.036
+ 2742TIP3    H114535   1.302  -0.461  -2.974
+ 2742TIP3    H214536   1.320  -0.383  -3.100
+ 2743TIP3   OH214537   1.570   0.881  -2.565
+ 2743TIP3    H114538   1.499   0.870  -2.631
+ 2743TIP3    H214539   1.522   0.870  -2.482
+ 2744TIP3   OH214540   1.854   0.974  -2.999
+ 2744TIP3    H114541   1.824   1.060  -3.035
+ 2744TIP3    H214542   1.949   0.981  -3.016
+ 2745TIP3   OH214543   2.304   1.105  -2.697
+ 2745TIP3    H114544   2.321   1.086  -2.603
+ 2745TIP3    H214545   2.388   1.148  -2.724
+ 2746TIP3   OH214546   2.534   1.250  -2.774
+ 2746TIP3    H114547   2.602   1.185  -2.798
+ 2746TIP3    H214548   2.565   1.279  -2.686
+ 2747TIP3   OH214549   3.022  -0.495  -2.862
+ 2747TIP3    H114550   2.939  -0.470  -2.906
+ 2747TIP3    H214551   3.031  -0.588  -2.891
+ 2748TIP3   OH214552   1.589   1.270  -2.967
+ 2748TIP3    H114553   1.530   1.334  -3.010
+ 2748TIP3    H214554   1.557   1.275  -2.876
+ 2749TIP3   OH214555   1.841   1.247  -3.110
+ 2749TIP3    H114556   1.755   1.265  -3.067
+ 2749TIP3    H214557   1.844   1.315  -3.180
+ 2750TIP3   OH214558   2.315   1.245  -3.155
+ 2750TIP3    H114559   2.278   1.289  -3.233
+ 2750TIP3    H214560   2.324   1.320  -3.093
+ 2751TIP3   OH214561   2.549   1.118  -3.062
+ 2751TIP3    H114562   2.464   1.152  -3.097
+ 2751TIP3    H214563   2.605   1.197  -3.066
+ 2752TIP3   OH214564   2.803   1.291  -3.044
+ 2752TIP3    H114565   2.798   1.386  -3.067
+ 2752TIP3    H214566   2.830   1.253  -3.129
+ 2753TIP3   OH214567   1.549   1.148  -3.272
+ 2753TIP3    H114568   1.548   1.099  -3.187
+ 2753TIP3    H214569   1.624   1.105  -3.316
+ 2754TIP3   OH214570   1.750   1.025  -3.425
+ 2754TIP3    H114571   1.736   0.931  -3.403
+ 2754TIP3    H214572   1.843   1.038  -3.397
+ 2755TIP3   OH214573   2.027   1.070  -3.339
+ 2755TIP3    H114574   2.046   0.978  -3.363
+ 2755TIP3    H214575   2.034   1.065  -3.243
+ 2756TIP3   OH214576   2.360  -0.341  -3.409
+ 2756TIP3    H114577   2.291  -0.409  -3.395
+ 2756TIP3    H214578   2.421  -0.387  -3.469
+ 2757TIP3   OH214579   2.857  -0.538  -3.363
+ 2757TIP3    H114580   2.932  -0.495  -3.407
+ 2757TIP3    H214581   2.782  -0.511  -3.418
+ 2758TIP3   OH214582   3.060  -0.428  -3.580
+ 2758TIP3    H114583   3.134  -0.474  -3.623
+ 2758TIP3    H214584   3.095  -0.338  -3.568
+ 2759TIP3   OH214585   1.596  -0.470  -3.652
+ 2759TIP3    H114586   1.510  -0.482  -3.697
+ 2759TIP3    H214587   1.638  -0.556  -3.668
+ 2760TIP3   OH214588   1.474  -0.515  -4.081
+ 2760TIP3    H114589   1.533  -0.452  -4.127
+ 2760TIP3    H214590   1.441  -0.460  -4.008
+ 2761TIP3   OH214591   2.043  -0.489  -3.665
+ 2761TIP3    H114592   2.133  -0.456  -3.680
+ 2761TIP3    H214593   2.041  -0.496  -3.569
+ 2762TIP3   OH214594   2.602  -0.483  -3.524
+ 2762TIP3    H114595   2.628  -0.497  -3.616
+ 2762TIP3    H214596   2.564  -0.569  -3.500
+ 2763TIP3   OH214597   2.707  -0.485  -3.919
+ 2763TIP3    H114598   2.628  -0.438  -3.953
+ 2763TIP3    H214599   2.675  -0.577  -3.919
+ 2764TIP3   OH214600   1.480   1.075  -3.962
+ 2764TIP3    H114601   1.411   1.072  -4.031
+ 2764TIP3    H214602   1.483   1.170  -3.945
+ 2765TIP3   OH214603   1.641  -0.345  -4.227
+ 2765TIP3    H114604   1.698  -0.400  -4.284
+ 2765TIP3    H214605   1.708  -0.292  -4.180
+ 2766TIP3   OH214606   2.152  -0.324  -3.958
+ 2766TIP3    H114607   2.194  -0.377  -3.888
+ 2766TIP3    H214608   2.178  -0.236  -3.929
+ 2767TIP3   OH214609   2.362   1.241  -4.146
+ 2767TIP3    H114610   2.459   1.251  -4.153
+ 2767TIP3    H214611   2.348   1.177  -4.218
+ 2768TIP3   OH214612   3.024   1.158  -3.885
+ 2768TIP3    H114613   2.993   1.074  -3.926
+ 2768TIP3    H214614   2.999   1.224  -3.953
+ 2769TIP3   OH214615   1.577  -0.446  -2.703
+ 2769TIP3    H114616   1.534  -0.524  -2.664
+ 2769TIP3    H214617   1.668  -0.458  -2.671
+ 2770TIP3   OH214618   1.812  -0.507  -2.529
+ 2770TIP3    H114619   1.895  -0.544  -2.566
+ 2770TIP3    H214620   1.778  -0.585  -2.481
+ 2771TIP3   OH214621   1.687   1.190  -4.231
+ 2771TIP3    H114622   1.639   1.202  -4.148
+ 2771TIP3    H214623   1.746   1.116  -4.214
+ 2772TIP3   OH214624   2.631  -0.599  -2.511
+ 2772TIP3    H114625   2.632  -0.637  -2.421
+ 2772TIP3    H214626   2.724  -0.609  -2.537
+ 2773TIP3   OH214627   2.963   1.038  -2.641
+ 2773TIP3    H114628   2.890   1.017  -2.702
+ 2773TIP3    H214629   2.943   1.131  -2.621
+ 2774TIP3   OH214630   4.223   0.348  -3.319
+ 2774TIP3    H114631   4.284   0.311  -3.253
+ 2774TIP3    H214632   4.243   0.298  -3.399
+ 2775TIP3   OH214633   3.514   0.308  -3.153
+ 2775TIP3    H114634   3.512   0.232  -3.092
+ 2775TIP3    H214635   3.585   0.361  -3.114
+ 2776TIP3   OH214636   3.581   0.772  -3.305
+ 2776TIP3    H114637   3.556   0.680  -3.329
+ 2776TIP3    H214638   3.673   0.757  -3.278
+ 2777TIP3   OH214639   3.281   0.115  -3.763
+ 2777TIP3    H114640   3.235   0.200  -3.754
+ 2777TIP3    H214641   3.212   0.060  -3.805
+ 2778TIP3   OH214642   3.362   0.358  -3.576
+ 2778TIP3    H114643   3.374   0.273  -3.530
+ 2778TIP3    H214644   3.445   0.363  -3.626
+ 2779TIP3   OH214645   4.131   0.605  -3.260
+ 2779TIP3    H114646   4.145   0.525  -3.314
+ 2779TIP3    H214647   4.195   0.586  -3.190
+ 2780TIP3   OH214648   3.745  -0.162  -3.506
+ 2780TIP3    H114649   3.756  -0.078  -3.554
+ 2780TIP3    H214650   3.709  -0.219  -3.576
+ 2781TIP3   OH214651   3.414   0.109  -3.454
+ 2781TIP3    H114652   3.474   0.058  -3.397
+ 2781TIP3    H214653   3.420   0.058  -3.537
+ 2782TIP3   OH214654   3.952   0.242  -3.504
+ 2782TIP3    H114655   4.027   0.188  -3.473
+ 2782TIP3    H214656   3.902   0.175  -3.554
+ 2783TIP3   OH214657   3.627  -0.283  -3.090
+ 2783TIP3    H114658   3.584  -0.237  -3.163
+ 2783TIP3    H214659   3.560  -0.275  -3.020
+ 2784TIP3   OH214660   3.918   0.498  -3.075
+ 2784TIP3    H114661   3.841   0.551  -3.047
+ 2784TIP3    H214662   3.977   0.566  -3.111
+ 2785TIP3   OH214663   3.583  -0.080  -3.296
+ 2785TIP3    H114664   3.650  -0.025  -3.250
+ 2785TIP3    H214665   3.641  -0.120  -3.366
+ 2786TIP3   OH214666   3.716   0.688  -3.004
+ 2786TIP3    H114667   3.712   0.781  -3.033
+ 2786TIP3    H214668   3.629   0.680  -2.960
+ 2787TIP3   OH214669   3.353   0.660  -3.921
+ 2787TIP3    H114670   3.320   0.704  -4.002
+ 2787TIP3    H214671   3.361   0.734  -3.856
+ 2788TIP3   OH214672   4.041  -0.547  -3.366
+ 2788TIP3    H114673   4.011  -0.641  -3.372
+ 2788TIP3    H214674   3.957  -0.504  -3.339
+ 2789TIP3   OH214675   4.264   0.339  -3.916
+ 2789TIP3    H114676   4.200   0.411  -3.928
+ 2789TIP3    H214677   4.338   0.370  -3.970
+ 2790TIP3   OH214678   4.288   0.197  -4.213
+ 2790TIP3    H114679   4.354   0.200  -4.142
+ 2790TIP3    H214680   4.298   0.108  -4.247
+ 2791TIP3   OH214681   3.762   0.433  -3.618
+ 2791TIP3    H114682   3.729   0.387  -3.697
+ 2791TIP3    H214683   3.822   0.367  -3.580
+ 2792TIP3   OH214684   3.901   0.774  -3.342
+ 2792TIP3    H114685   3.886   0.730  -3.427
+ 2792TIP3    H214686   3.980   0.727  -3.309
+ 2793TIP3   OH214687   3.814   0.317  -3.269
+ 2793TIP3    H114688   3.875   0.312  -3.345
+ 2793TIP3    H214689   3.859   0.380  -3.210
+ 2794TIP3   OH214690   3.905   0.752  -2.788
+ 2794TIP3    H114691   3.853   0.814  -2.734
+ 2794TIP3    H214692   3.839   0.723  -2.853
+ 2795TIP3   OH214693   3.595   0.389  -2.873
+ 2795TIP3    H114694   3.599   0.443  -2.792
+ 2795TIP3    H214695   3.499   0.372  -2.880
+ 2796TIP3   OH214696   4.252   0.960  -3.697
+ 2796TIP3    H114697   4.299   1.014  -3.632
+ 2796TIP3    H214698   4.197   1.026  -3.740
+ 2797TIP3   OH214699   3.710   0.967  -2.701
+ 2797TIP3    H114700   3.698   0.966  -2.798
+ 2797TIP3    H214701   3.623   0.938  -2.668
+ 2798TIP3   OH214702   3.652   0.309  -3.864
+ 2798TIP3    H114703   3.624   0.383  -3.920
+ 2798TIP3    H214704   3.586   0.241  -3.885
+ 2799TIP3   OH214705   3.256   0.575  -2.990
+ 2799TIP3    H114706   3.212   0.573  -3.077
+ 2799TIP3    H214707   3.269   0.480  -2.972
+ 2800TIP3   OH214708   3.263   0.871  -3.299
+ 2800TIP3    H114709   3.353   0.838  -3.292
+ 2800TIP3    H214710   3.257   0.927  -3.220
+ 2801TIP3   OH214711   4.170   0.853  -2.839
+ 2801TIP3    H114712   4.181   0.938  -2.794
+ 2801TIP3    H214713   4.080   0.825  -2.814
+ 2802TIP3   OH214714   4.184   1.232  -3.849
+ 2802TIP3    H114715   4.209   1.238  -3.942
+ 2802TIP3    H214716   4.207   1.318  -3.812
+ 2803TIP3   OH214717   3.573   1.145  -3.680
+ 2803TIP3    H114718   3.591   1.102  -3.594
+ 2803TIP3    H214719   3.488   1.105  -3.703
+ 2804TIP3   OH214720   3.475   0.731  -2.866
+ 2804TIP3    H114721   3.502   0.684  -2.784
+ 2804TIP3    H214722   3.401   0.675  -2.899
+ 2805TIP3   OH214723   3.791  -0.421  -3.304
+ 2805TIP3    H114724   3.704  -0.444  -3.340
+ 2805TIP3    H214725   3.763  -0.365  -3.229
+ 2806TIP3   OH214726   4.247  -0.499  -2.838
+ 2806TIP3    H114727   4.235  -0.590  -2.805
+ 2806TIP3    H214728   4.157  -0.488  -2.878
+ 2807TIP3   OH214729   4.223  -0.214  -4.202
+ 2807TIP3    H114730   4.157  -0.229  -4.133
+ 2807TIP3    H214731   4.195  -0.280  -4.268
+ 2808TIP3   OH214732   3.783   0.058  -3.148
+ 2808TIP3    H114733   3.720   0.065  -3.074
+ 2808TIP3    H214734   3.783   0.149  -3.185
+ 2809TIP3   OH214735   3.774   0.067  -3.662
+ 2809TIP3    H114736   3.678   0.053  -3.676
+ 2809TIP3    H214737   3.808   0.044  -3.751
+ 2810TIP3   OH214738   4.288   0.097  -3.745
+ 2810TIP3    H114739   4.264   0.189  -3.768
+ 2810TIP3    H214740   4.317   0.061  -3.829
+ 2811TIP3   OH214741   4.251   0.147  -2.627
+ 2811TIP3    H114742   4.198   0.065  -2.614
+ 2811TIP3    H214743   4.340   0.109  -2.630
+ 2812TIP3   OH214744   3.516   0.075  -2.963
+ 2812TIP3    H114745   3.543   0.100  -2.874
+ 2812TIP3    H214746   3.481  -0.015  -2.947
+ 2813TIP3   OH214747   3.898  -0.178  -4.309
+ 2813TIP3    H114748   3.859  -0.215  -4.228
+ 2813TIP3    H214749   3.820  -0.134  -4.348
+ 2814TIP3   OH214750   3.204  -0.176  -3.599
+ 2814TIP3    H114751   3.264  -0.189  -3.524
+ 2814TIP3    H214752   3.248  -0.221  -3.673
+ 2815TIP3   OH214753   3.358  -0.137  -4.038
+ 2815TIP3    H114754   3.413  -0.089  -4.103
+ 2815TIP3    H214755   3.289  -0.072  -4.018
+ 2816TIP3   OH214756   4.349   0.204  -3.024
+ 2816TIP3    H114757   4.379   0.133  -3.085
+ 2816TIP3    H214758   4.281   0.155  -2.976
+ 2817TIP3   OH214759   4.049  -0.191  -3.556
+ 2817TIP3    H114760   3.954  -0.193  -3.533
+ 2817TIP3    H214761   4.088  -0.190  -3.467
+ 2818TIP3   OH214762   3.513  -0.053  -3.693
+ 2818TIP3    H114763   3.427  -0.032  -3.734
+ 2818TIP3    H214764   3.539  -0.136  -3.738
+ 2819TIP3   OH214765   3.866  -0.014  -3.922
+ 2819TIP3    H114766   3.963  -0.014  -3.918
+ 2819TIP3    H214767   3.845   0.043  -3.997
+ 2820TIP3   OH214768   3.728   0.104  -4.162
+ 2820TIP3    H114769   3.666   0.047  -4.212
+ 2820TIP3    H214770   3.806   0.106  -4.219
+ 2821TIP3   OH214771   3.583   0.579  -2.647
+ 2821TIP3    H114772   3.650   0.585  -2.575
+ 2821TIP3    H214773   3.502   0.573  -2.592
+ 2822TIP3   OH214774   4.149   0.057  -3.414
+ 2822TIP3    H114775   4.213   0.002  -3.461
+ 2822TIP3    H214776   4.156   0.022  -3.323
+ 2823TIP3   OH214777   3.682  -0.284  -3.766
+ 2823TIP3    H114778   3.625  -0.359  -3.742
+ 2823TIP3    H214779   3.765  -0.329  -3.787
+ 2824TIP3   OH214780   4.054  -0.080  -3.154
+ 2824TIP3    H114781   3.977  -0.022  -3.157
+ 2824TIP3    H214782   4.101  -0.050  -3.075
+ 2825TIP3   OH214783   4.068   0.548  -3.955
+ 2825TIP3    H114784   3.991   0.499  -3.990
+ 2825TIP3    H214785   4.048   0.557  -3.859
+ 2826TIP3   OH214786   4.229   0.571  -2.852
+ 2826TIP3    H114787   4.196   0.527  -2.773
+ 2826TIP3    H214788   4.208   0.665  -2.838
+ 2827TIP3   OH214789   3.580   0.502  -3.377
+ 2827TIP3    H114790   3.635   0.489  -3.456
+ 2827TIP3    H214791   3.588   0.416  -3.333
+ 2828TIP3   OH214792   4.284   0.690  -4.051
+ 2828TIP3    H114793   4.252   0.780  -4.031
+ 2828TIP3    H214794   4.208   0.637  -4.020
+ 2829TIP3   OH214795   3.304   0.329  -2.851
+ 2829TIP3    H114796   3.320   0.284  -2.766
+ 2829TIP3    H214797   3.244   0.268  -2.897
+ 2830TIP3   OH214798   4.003   0.283  -2.652
+ 2830TIP3    H114799   3.965   0.246  -2.734
+ 2830TIP3    H214800   4.095   0.251  -2.658
+ 2831TIP3   OH214801   3.816   0.829  -3.656
+ 2831TIP3    H114802   3.857   0.916  -3.665
+ 2831TIP3    H214803   3.723   0.849  -3.673
+ 2832TIP3   OH214804   3.423   0.324  -4.203
+ 2832TIP3    H114805   3.476   0.385  -4.150
+ 2832TIP3    H214806   3.333   0.339  -4.168
+ 2833TIP3   OH214807   3.996   0.599  -3.690
+ 2833TIP3    H114808   3.964   0.689  -3.676
+ 2833TIP3    H214809   3.925   0.547  -3.648
+ 2834TIP3   OH214810   4.020   1.028  -3.053
+ 2834TIP3    H114811   4.079   1.099  -3.085
+ 2834TIP3    H214812   4.082   0.977  -2.998
+ 2835TIP3   OH214813   3.859   1.120  -3.737
+ 2835TIP3    H114814   3.764   1.134  -3.723
+ 2835TIP3    H214815   3.897   1.205  -3.708
+ 2836TIP3   OH214816   3.436  -0.205  -2.891
+ 2836TIP3    H114817   3.345  -0.182  -2.916
+ 2836TIP3    H214818   3.423  -0.294  -2.851
+ 2837TIP3   OH214819   3.413   0.969  -3.050
+ 2837TIP3    H114820   3.441   0.877  -3.033
+ 2837TIP3    H214821   3.434   1.009  -2.965
+ 2838TIP3   OH214822   3.975   0.821  -4.380
+ 2838TIP3    H114823   4.043   0.752  -4.392
+ 2838TIP3    H214824   3.946   0.801  -4.288
+ 2839TIP3   OH214825   3.875   0.782  -4.071
+ 2839TIP3    H114826   3.930   0.728  -4.012
+ 2839TIP3    H214827   3.900   0.873  -4.045
+ 2840TIP3   OH214828   3.563   0.525  -4.041
+ 2840TIP3    H114829   3.488   0.562  -3.990
+ 2840TIP3    H214830   3.615   0.605  -4.056
+ 2841TIP3   OH214831   4.330  -0.166  -2.988
+ 2841TIP3    H114832   4.385  -0.228  -2.940
+ 2841TIP3    H214833   4.292  -0.222  -3.057
+ 2842TIP3   OH214834   4.162   0.949  -4.030
+ 2842TIP3    H114835   4.088   1.004  -4.000
+ 2842TIP3    H214836   4.216   1.014  -4.076
+ 2843TIP3   OH214837   4.119  -0.101  -3.813
+ 2843TIP3    H114838   4.183  -0.034  -3.780
+ 2843TIP3    H214839   4.081  -0.127  -3.727
+ 2844TIP3   OH214840   4.161   0.012  -2.893
+ 2844TIP3    H114841   4.186   0.058  -2.812
+ 2844TIP3    H214842   4.231  -0.056  -2.901
+ 2845TIP3   OH214843   4.198  -0.383  -3.694
+ 2845TIP3    H114844   4.168  -0.304  -3.644
+ 2845TIP3    H214845   4.272  -0.348  -3.746
+ 2846TIP3   OH214846   3.889   1.064  -4.027
+ 2846TIP3    H114847   3.898   1.150  -4.072
+ 2846TIP3    H214848   3.878   1.091  -3.933
+ 2847TIP3   OH214849   3.770  -0.267  -4.084
+ 2847TIP3    H114850   3.761  -0.202  -4.012
+ 2847TIP3    H214851   3.837  -0.328  -4.049
+ 2848TIP3   OH214852   3.611   0.823  -4.181
+ 2848TIP3    H114853   3.681   0.857  -4.122
+ 2848TIP3    H214854   3.662   0.754  -4.227
+ 2849TIP3   OH214855   3.434   0.038  -4.260
+ 2849TIP3    H114856   3.444   0.133  -4.240
+ 2849TIP3    H214857   3.341   0.034  -4.290
+ 2850TIP3   OH214858   3.488  -0.479  -3.360
+ 2850TIP3    H114859   3.484  -0.492  -3.456
+ 2850TIP3    H214860   3.482  -0.572  -3.329
+ 2851TIP3   OH214861   3.404   0.887  -3.746
+ 2851TIP3    H114862   3.324   0.936  -3.724
+ 2851TIP3    H214863   3.441   0.937  -3.819
+ 2852TIP3   OH214864   3.345   1.173  -2.629
+ 2852TIP3    H114865   3.404   1.145  -2.556
+ 2852TIP3    H214866   3.307   1.088  -2.657
+ 2853TIP3   OH214867   3.816   1.082  -2.453
+ 2853TIP3    H114868   3.881   1.014  -2.428
+ 2853TIP3    H214869   3.790   1.052  -2.541
+ 2854TIP3   OH214870   4.232   1.016  -4.323
+ 2854TIP3    H114871   4.157   0.955  -4.321
+ 2854TIP3    H214872   4.302   0.959  -4.359
+ 2855TIP3   OH214873   3.342   0.538  -2.518
+ 2855TIP3    H114874   3.350   0.445  -2.547
+ 2855TIP3    H214875   3.264   0.566  -2.569
+ 2856TIP3   OH214876   3.790   0.599  -4.322
+ 2856TIP3    H114877   3.756   0.536  -4.257
+ 2856TIP3    H214878   3.872   0.554  -4.347
+ 2857TIP3   OH214879   4.010   0.559  -2.586
+ 2857TIP3    H114880   3.976   0.587  -2.672
+ 2857TIP3    H214881   4.018   0.461  -2.597
+ 2858TIP3   OH214882   4.264   0.688  -4.346
+ 2858TIP3    H114883   4.315   0.721  -4.269
+ 2858TIP3    H214884   4.323   0.619  -4.378
+ 2859TIP3   OH214885   3.428   0.252  -2.599
+ 2859TIP3    H114886   3.500   0.186  -2.600
+ 2859TIP3    H214887   3.422   0.270  -2.504
+ 2860TIP3   OH214888   3.868   0.385  -4.091
+ 2860TIP3    H114889   3.806   0.341  -4.031
+ 2860TIP3    H214890   3.903   0.310  -4.142
+ 2861TIP3   OH214891   3.797   0.167  -2.852
+ 2861TIP3    H114892   3.740   0.243  -2.834
+ 2861TIP3    H214893   3.850   0.198  -2.926
+ 2862TIP3   OH214894   3.995   0.201  -4.277
+ 2862TIP3    H114895   3.994   0.174  -4.370
+ 2862TIP3    H214896   4.090   0.213  -4.261
+ 2863TIP3   OH214897   4.286   0.413  -2.487
+ 2863TIP3    H114898   4.359   0.378  -2.539
+ 2863TIP3    H214899   4.266   0.335  -2.433
+ 2864TIP3   OH214900   3.858  -0.105  -2.739
+ 2864TIP3    H114901   3.860  -0.172  -2.810
+ 2864TIP3    H214902   3.838  -0.024  -2.790
+ 2865TIP3   OH214903   3.886  -0.257  -2.997
+ 2865TIP3    H114904   3.932  -0.205  -3.065
+ 2865TIP3    H214905   3.795  -0.264  -3.032
+ 2866TIP3   OH214906   4.068   0.283  -2.961
+ 2866TIP3    H114907   4.135   0.274  -3.030
+ 2866TIP3    H214908   4.027   0.368  -2.985
+ 2867TIP3   OH214909   3.674   0.077  -2.565
+ 2867TIP3    H114910   3.619  -0.004  -2.561
+ 2867TIP3    H214911   3.755   0.043  -2.607
+ 2868TIP3   OH214912   3.993  -0.511  -2.961
+ 2868TIP3    H114913   3.955  -0.422  -2.973
+ 2868TIP3    H214914   3.924  -0.564  -3.007
+ 2869TIP3   OH214915   4.106  -0.080  -2.586
+ 2869TIP3    H114916   4.069  -0.107  -2.500
+ 2869TIP3    H214917   4.031  -0.101  -2.644
+ 2870TIP3   OH214918   3.539  -0.177  -2.579
+ 2870TIP3    H114919   3.531  -0.249  -2.645
+ 2870TIP3    H214920   3.519  -0.225  -2.497
+ 2871TIP3   OH214921   3.947  -0.577  -2.676
+ 2871TIP3    H114922   4.000  -0.658  -2.670
+ 2871TIP3    H214923   3.939  -0.566  -2.772
+ 2872TIP3   OH214924   4.049  -0.389  -2.501
+ 2872TIP3    H114925   4.008  -0.454  -2.562
+ 2872TIP3    H214926   3.976  -0.327  -2.486
+ 2873TIP3   OH214927   3.961   1.306  -4.175
+ 2873TIP3    H114928   4.054   1.327  -4.161
+ 2873TIP3    H214929   3.933   1.372  -4.240
+ 2874TIP3   OH214930   3.331   0.725  -4.201
+ 2874TIP3    H114931   3.425   0.749  -4.200
+ 2874TIP3    H214932   3.325   0.658  -4.272
+ 2875TIP3   OH214933   3.237   1.269  -3.721
+ 2875TIP3    H114934   3.164   1.234  -3.776
+ 2875TIP3    H214935   3.242   1.202  -3.650
+ 2876TIP3   OH214936   3.273   1.073  -3.520
+ 2876TIP3    H114937   3.243   0.986  -3.490
+ 2876TIP3    H214938   3.307   1.108  -3.436
+ 2877TIP3   OH214939   3.280   0.409  -3.280
+ 2877TIP3    H114940   3.306   0.411  -3.374
+ 2877TIP3    H214941   3.366   0.385  -3.239
+ 2878TIP3   OH214942   3.272  -0.058  -2.640
+ 2878TIP3    H114943   3.365  -0.085  -2.636
+ 2878TIP3    H214944   3.227  -0.144  -2.632
+ 2879TIP3   OH214945   3.350  -0.231  -3.360
+ 2879TIP3    H114946   3.390  -0.320  -3.352
+ 2879TIP3    H214947   3.422  -0.175  -3.325
+ 2880TIP3   OH214948   3.203   0.043  -3.255
+ 2880TIP3    H114949   3.261   0.036  -3.333
+ 2880TIP3    H214950   3.241   0.119  -3.210
+ 2881TIP3   OH214951   3.251  -0.317  -3.848
+ 2881TIP3    H114952   3.157  -0.320  -3.871
+ 2881TIP3    H214953   3.290  -0.263  -3.918
+ 2882TIP3   OH214954   3.252  -0.433  -3.030
+ 2882TIP3    H114955   3.178  -0.453  -2.972
+ 2882TIP3    H214956   3.207  -0.385  -3.102
+ 2883TIP3   OH214957   3.456   0.881  -2.567
+ 2883TIP3    H114958   3.383   0.872  -2.630
+ 2883TIP3    H214959   3.411   0.867  -2.482
+ 2884TIP3   OH214960   3.740   0.973  -3.001
+ 2884TIP3    H114961   3.709   1.059  -3.035
+ 2884TIP3    H214962   3.836   0.982  -3.017
+ 2885TIP3   OH214963   4.221   1.134  -2.710
+ 2885TIP3    H114964   4.205   1.100  -2.621
+ 2885TIP3    H214965   4.315   1.158  -2.702
+ 2886TIP3   OH214966   3.478   1.270  -2.966
+ 2886TIP3    H114967   3.418   1.332  -3.010
+ 2886TIP3    H214968   3.443   1.271  -2.877
+ 2887TIP3   OH214969   3.729   1.246  -3.109
+ 2887TIP3    H114970   3.644   1.265  -3.065
+ 2887TIP3    H214971   3.733   1.316  -3.177
+ 2888TIP3   OH214972   4.197   1.224  -3.155
+ 2888TIP3    H114973   4.178   1.273  -3.236
+ 2888TIP3    H214974   4.259   1.283  -3.109
+ 2889TIP3   OH214975   3.435   1.149  -3.271
+ 2889TIP3    H114976   3.433   1.099  -3.186
+ 2889TIP3    H214977   3.511   1.104  -3.315
+ 2890TIP3   OH214978   3.637   1.023  -3.429
+ 2890TIP3    H114979   3.620   0.931  -3.401
+ 2890TIP3    H214980   3.727   1.038  -3.395
+ 2891TIP3   OH214981   3.913   1.071  -3.340
+ 2891TIP3    H114982   3.932   0.978  -3.360
+ 2891TIP3    H214983   3.921   1.070  -3.243
+ 2892TIP3   OH214984   4.260  -0.373  -3.404
+ 2892TIP3    H114985   4.179  -0.426  -3.391
+ 2892TIP3    H214986   4.295  -0.412  -3.484
+ 2893TIP3   OH214987   3.490  -0.473  -3.652
+ 2893TIP3    H114988   3.401  -0.489  -3.690
+ 2893TIP3    H214989   3.527  -0.563  -3.653
+ 2894TIP3   OH214990   3.356  -0.513  -4.082
+ 2894TIP3    H114991   3.418  -0.451  -4.127
+ 2894TIP3    H214992   3.327  -0.461  -4.006
+ 2895TIP3   OH214993   3.931  -0.474  -3.665
+ 2895TIP3    H114994   4.027  -0.461  -3.670
+ 2895TIP3    H214995   3.920  -0.499  -3.573
+ 2896TIP3   OH214996   3.371   1.075  -3.969
+ 2896TIP3    H114997   3.296   1.073  -4.031
+ 2896TIP3    H214998   3.368   1.168  -3.941
+ 2897TIP3   OH214999   3.528  -0.339  -4.232
+ 2897TIP3    H115000   3.580  -0.404  -4.281
+ 2897TIP3    H215001   3.597  -0.294  -4.180
+ 2898TIP3   OH215002   4.074  -0.324  -3.968
+ 2898TIP3    H115003   4.061  -0.388  -3.896
+ 2898TIP3    H215004   4.061  -0.239  -3.921
+ 2899TIP3   OH215005   4.271   1.225  -4.142
+ 2899TIP3    H115006   4.355   1.268  -4.163
+ 2899TIP3    H215007   4.254   1.172  -4.223
+ 2900TIP3   OH215008   3.460  -0.444  -2.698
+ 2900TIP3    H115009   3.420  -0.525  -2.662
+ 2900TIP3    H215010   3.553  -0.460  -2.679
+ 2901TIP3   OH215011   3.701  -0.508  -2.526
+ 2901TIP3    H115012   3.782  -0.544  -2.567
+ 2901TIP3    H215013   3.665  -0.588  -2.483
+ 2902TIP3   OH215014   3.574   1.185  -4.230
+ 2902TIP3    H115015   3.525   1.208  -4.150
+ 2902TIP3    H215016   3.629   1.111  -4.203
+ 2903TIP3   OH215017  -3.161   2.289  -3.628
+ 2903TIP3    H115018  -3.160   2.385  -3.615
+ 2903TIP3    H215019  -3.237   2.278  -3.685
+ 2904TIP3   OH215020  -3.274   2.234  -3.321
+ 2904TIP3    H115021  -3.276   2.179  -3.241
+ 2904TIP3    H215022  -3.303   2.172  -3.389
+ 2905TIP3   OH215023  -4.027   2.193  -3.157
+ 2905TIP3    H115024  -4.032   2.120  -3.092
+ 2905TIP3    H215025  -3.960   2.249  -3.116
+ 2906TIP3   OH215026  -2.908   2.508  -3.488
+ 2906TIP3    H115027  -2.944   2.438  -3.432
+ 2906TIP3    H215028  -2.878   2.571  -3.421
+ 2907TIP3   OH215029  -3.960   2.655  -3.304
+ 2907TIP3    H115030  -3.988   2.565  -3.331
+ 2907TIP3    H215031  -3.865   2.640  -3.286
+ 2908TIP3   OH215032  -4.210   2.021  -3.870
+ 2908TIP3    H115033  -4.237   2.108  -3.838
+ 2908TIP3    H215034  -4.296   1.980  -3.887
+ 2909TIP3   OH215035  -4.206   2.227  -3.603
+ 2909TIP3    H115036  -4.186   2.170  -3.527
+ 2909TIP3    H215037  -4.123   2.274  -3.616
+ 2910TIP3   OH215038  -3.201   3.044  -3.432
+ 2910TIP3    H115039  -3.143   2.973  -3.464
+ 2910TIP3    H215040  -3.228   3.011  -3.345
+ 2911TIP3   OH215041  -3.426   2.485  -3.264
+ 2911TIP3    H115042  -3.392   2.413  -3.321
+ 2911TIP3    H215043  -3.345   2.501  -3.211
+ 2912TIP3   OH215044  -2.561   1.637  -3.198
+ 2912TIP3    H115045  -2.534   1.699  -3.128
+ 2912TIP3    H215046  -2.500   1.664  -3.270
+ 2913TIP3   OH215047  -3.096   1.918  -3.212
+ 2913TIP3    H115048  -3.083   1.822  -3.207
+ 2913TIP3    H215049  -3.105   1.932  -3.308
+ 2914TIP3   OH215050  -3.799   1.719  -3.506
+ 2914TIP3    H115051  -3.785   1.805  -3.550
+ 2914TIP3    H215052  -3.835   1.667  -3.580
+ 2915TIP3   OH215053  -3.016   1.734  -3.675
+ 2915TIP3    H115054  -2.957   1.693  -3.608
+ 2915TIP3    H215055  -2.951   1.780  -3.730
+ 2916TIP3   OH215056  -4.139   1.992  -3.451
+ 2916TIP3    H115057  -4.079   1.952  -3.386
+ 2916TIP3    H215058  -4.119   1.939  -3.530
+ 2917TIP3   OH215059  -3.592   2.131  -3.509
+ 2917TIP3    H115060  -3.522   2.076  -3.469
+ 2917TIP3    H215061  -3.643   2.064  -3.557
+ 2918TIP3   OH215062  -2.487   1.774  -2.951
+ 2918TIP3    H115063  -2.545   1.847  -2.980
+ 2918TIP3    H215064  -2.507   1.772  -2.856
+ 2919TIP3   OH215065  -3.920   1.599  -3.087
+ 2919TIP3    H115066  -3.962   1.646  -3.161
+ 2919TIP3    H215067  -3.982   1.619  -3.015
+ 2920TIP3   OH215068  -3.171   2.574  -3.750
+ 2920TIP3    H115069  -3.202   2.554  -3.838
+ 2920TIP3    H215070  -3.214   2.659  -3.731
+ 2921TIP3   OH215071  -3.626   2.387  -3.077
+ 2921TIP3    H115072  -3.698   2.447  -3.050
+ 2921TIP3    H215073  -3.563   2.447  -3.120
+ 2922TIP3   OH215074  -2.832   1.660  -3.469
+ 2922TIP3    H115075  -2.874   1.605  -3.402
+ 2922TIP3    H215076  -2.779   1.721  -3.414
+ 2923TIP3   OH215077  -3.957   1.805  -3.296
+ 2923TIP3    H115078  -3.894   1.863  -3.250
+ 2923TIP3    H215079  -3.900   1.769  -3.367
+ 2924TIP3   OH215080  -3.828   2.573  -3.003
+ 2924TIP3    H115081  -3.829   2.665  -3.036
+ 2924TIP3    H215082  -3.916   2.569  -2.962
+ 2925TIP3   OH215083  -4.184   2.534  -3.914
+ 2925TIP3    H115084  -4.259   2.557  -3.974
+ 2925TIP3    H215085  -4.194   2.600  -3.844
+ 2926TIP3   OH215086  -2.852   2.689  -3.239
+ 2926TIP3    H115087  -2.948   2.703  -3.237
+ 2926TIP3    H215088  -2.822   2.774  -3.275
+ 2927TIP3   OH215089  -2.818   1.565  -3.084
+ 2927TIP3    H115090  -2.893   1.610  -3.126
+ 2927TIP3    H215091  -2.744   1.590  -3.144
+ 2928TIP3   OH215092  -3.498   1.338  -3.365
+ 2928TIP3    H115093  -3.531   1.247  -3.376
+ 2928TIP3    H215094  -3.580   1.384  -3.334
+ 2929TIP3   OH215095  -3.021   2.884  -3.582
+ 2929TIP3    H115096  -2.973   2.805  -3.614
+ 2929TIP3    H215097  -2.953   2.953  -3.592
+ 2930TIP3   OH215098  -2.876   2.671  -3.720
+ 2930TIP3    H115099  -2.927   2.624  -3.788
+ 2930TIP3    H215100  -2.881   2.607  -3.646
+ 2931TIP3   OH215101  -2.721   2.552  -2.871
+ 2931TIP3    H115102  -2.731   2.488  -2.944
+ 2931TIP3    H215103  -2.710   2.636  -2.919
+ 2932TIP3   OH215104  -3.292   2.239  -3.905
+ 2932TIP3    H115105  -3.359   2.302  -3.938
+ 2932TIP3    H215106  -3.220   2.250  -3.969
+ 2933TIP3   OH215107  -3.274   2.064  -4.205
+ 2933TIP3    H115108  -3.206   2.097  -4.144
+ 2933TIP3    H215109  -3.220   2.003  -4.260
+ 2934TIP3   OH215110  -2.546   2.168  -3.076
+ 2934TIP3    H115111  -2.618   2.235  -3.069
+ 2934TIP3    H215112  -2.497   2.204  -3.154
+ 2935TIP3   OH215113  -2.945   2.241  -3.795
+ 2935TIP3    H115114  -3.013   2.263  -3.727
+ 2935TIP3    H215115  -2.884   2.186  -3.742
+ 2936TIP3   OH215116  -2.960   2.096  -2.910
+ 2936TIP3    H115117  -2.954   2.178  -2.858
+ 2936TIP3    H215118  -3.024   2.126  -2.977
+ 2937TIP3   OH215119  -3.783   2.320  -3.616
+ 2937TIP3    H115120  -3.816   2.278  -3.697
+ 2937TIP3    H215121  -3.717   2.255  -3.584
+ 2938TIP3   OH215122  -3.649   2.658  -3.341
+ 2938TIP3    H115123  -3.658   2.623  -3.431
+ 2938TIP3    H215124  -3.568   2.613  -3.310
+ 2939TIP3   OH215125  -3.727   2.202  -3.268
+ 2939TIP3    H115126  -3.668   2.206  -3.346
+ 2939TIP3    H215127  -3.687   2.268  -3.208
+ 2940TIP3   OH215128  -3.132   2.752  -3.209
+ 2940TIP3    H115129  -3.129   2.820  -3.140
+ 2940TIP3    H215130  -3.154   2.670  -3.161
+ 2941TIP3   OH215131  -3.643   2.631  -2.783
+ 2941TIP3    H115132  -3.694   2.698  -2.735
+ 2941TIP3    H215133  -3.707   2.606  -2.853
+ 2942TIP3   OH215134  -3.036   2.188  -4.057
+ 2942TIP3    H115135  -2.994   2.215  -3.973
+ 2942TIP3    H215136  -2.976   2.230  -4.122
+ 2943TIP3   OH215137  -3.956   2.266  -2.868
+ 2943TIP3    H115138  -3.947   2.327  -2.792
+ 2943TIP3    H215139  -4.053   2.263  -2.878
+ 2944TIP3   OH215140  -3.304   2.847  -3.694
+ 2944TIP3    H115141  -3.253   2.875  -3.618
+ 2944TIP3    H215142  -3.350   2.928  -3.720
+ 2945TIP3   OH215143  -3.835   2.847  -2.700
+ 2945TIP3    H115144  -3.843   2.853  -2.797
+ 2945TIP3    H215145  -3.927   2.830  -2.672
+ 2946TIP3   OH215146  -2.695   1.355  -4.074
+ 2946TIP3    H115147  -2.786   1.375  -4.047
+ 2946TIP3    H215148  -2.666   1.440  -4.109
+ 2947TIP3   OH215149  -3.892   2.192  -3.866
+ 2947TIP3    H115150  -3.917   2.270  -3.918
+ 2947TIP3    H215151  -3.964   2.130  -3.888
+ 2948TIP3   OH215152  -2.590   2.787  -4.251
+ 2948TIP3    H115153  -2.557   2.867  -4.206
+ 2948TIP3    H215154  -2.516   2.724  -4.242
+ 2949TIP3   OH215155  -4.266   2.476  -3.010
+ 2949TIP3    H115156  -4.288   2.443  -3.099
+ 2949TIP3    H215157  -4.306   2.407  -2.954
+ 2950TIP3   OH215158  -4.283   2.753  -3.311
+ 2950TIP3    H115159  -4.196   2.714  -3.293
+ 2950TIP3    H215160  -4.299   2.805  -3.232
+ 2951TIP3   OH215161  -2.442   2.815  -2.716
+ 2951TIP3    H115162  -2.452   2.721  -2.738
+ 2951TIP3    H215163  -2.534   2.839  -2.691
+ 2952TIP3   OH215164  -3.378   2.737  -2.839
+ 2952TIP3    H115165  -3.370   2.819  -2.787
+ 2952TIP3    H215166  -3.468   2.708  -2.816
+ 2953TIP3   OH215167  -3.346   3.117  -3.846
+ 2953TIP3    H115168  -3.348   3.128  -3.943
+ 2953TIP3    H215169  -3.342   3.209  -3.815
+ 2954TIP3   OH215170  -3.975   3.032  -3.679
+ 2954TIP3    H115171  -3.954   2.990  -3.593
+ 2954TIP3    H215172  -4.054   2.980  -3.703
+ 2955TIP3   OH215173  -3.022   3.080  -4.137
+ 2955TIP3    H115174  -2.979   3.021  -4.202
+ 2955TIP3    H215175  -3.020   3.025  -4.057
+ 2956TIP3   OH215176  -3.075   3.006  -3.862
+ 2956TIP3    H115177  -3.168   3.023  -3.841
+ 2956TIP3    H215178  -3.053   2.938  -3.796
+ 2957TIP3   OH215179  -2.763   1.951  -2.678
+ 2957TIP3    H115180  -2.816   1.991  -2.749
+ 2957TIP3    H215181  -2.759   1.858  -2.707
+ 2958TIP3   OH215182  -4.071   2.616  -2.863
+ 2958TIP3    H115183  -4.042   2.559  -2.789
+ 2958TIP3    H215184  -4.147   2.566  -2.901
+ 2959TIP3   OH215185  -3.746   1.460  -3.290
+ 2959TIP3    H115186  -3.829   1.452  -3.341
+ 2959TIP3    H215187  -3.767   1.536  -3.234
+ 2960TIP3   OH215188  -3.311   1.419  -2.923
+ 2960TIP3    H115189  -3.264   1.368  -2.855
+ 2960TIP3    H215190  -3.403   1.390  -2.912
+ 2961TIP3   OH215191  -2.994   1.800  -2.873
+ 2961TIP3    H115192  -3.055   1.785  -2.798
+ 2961TIP3    H215193  -3.001   1.896  -2.888
+ 2962TIP3   OH215194  -2.815   2.267  -4.251
+ 2962TIP3    H115195  -2.860   2.252  -4.335
+ 2962TIP3    H215196  -2.782   2.357  -4.266
+ 2963TIP3   OH215197  -3.326   1.657  -4.215
+ 2963TIP3    H115198  -3.384   1.665  -4.138
+ 2963TIP3    H215199  -3.374   1.591  -4.267
+ 2964TIP3   OH215200  -3.761   1.942  -3.149
+ 2964TIP3    H115201  -3.820   1.954  -3.072
+ 2964TIP3    H215202  -3.755   2.033  -3.184
+ 2965TIP3   OH215203  -3.769   1.947  -3.660
+ 2965TIP3    H115204  -3.865   1.944  -3.678
+ 2965TIP3    H215205  -3.734   1.932  -3.750
+ 2966TIP3   OH215206  -3.201   2.002  -3.787
+ 2966TIP3    H115207  -3.240   2.086  -3.818
+ 2966TIP3    H215208  -3.135   1.985  -3.857
+ 2967TIP3   OH215209  -3.287   2.026  -2.648
+ 2967TIP3    H115210  -3.338   1.951  -2.611
+ 2967TIP3    H215211  -3.200   2.013  -2.605
+ 2968TIP3   OH215212  -3.122   1.944  -3.505
+ 2968TIP3    H115213  -3.149   2.003  -3.578
+ 2968TIP3    H215214  -3.101   1.864  -3.557
+ 2969TIP3   OH215215  -4.024   1.958  -2.965
+ 2969TIP3    H115216  -3.997   1.996  -2.880
+ 2969TIP3    H215217  -4.052   1.869  -2.938
+ 2970TIP3   OH215218  -3.652   1.696  -4.310
+ 2970TIP3    H115219  -3.691   1.671  -4.225
+ 2970TIP3    H215220  -3.725   1.750  -4.348
+ 2971TIP3   OH215221  -4.322   1.719  -3.597
+ 2971TIP3    H115222  -4.305   1.692  -3.505
+ 2971TIP3    H215223  -4.279   1.649  -3.647
+ 2972TIP3   OH215224  -4.207   1.758  -4.024
+ 2972TIP3    H115225  -4.145   1.787  -4.093
+ 2972TIP3    H215226  -4.286   1.808  -4.045
+ 2973TIP3   OH215227  -3.212   2.113  -3.059
+ 2973TIP3    H115228  -3.167   2.041  -3.109
+ 2973TIP3    H215229  -3.244   2.066  -2.981
+ 2974TIP3   OH215230  -3.490   1.706  -3.558
+ 2974TIP3    H115231  -3.585   1.704  -3.535
+ 2974TIP3    H215232  -3.449   1.692  -3.471
+ 2975TIP3   OH215233  -4.041   1.833  -3.693
+ 2975TIP3    H115234  -4.112   1.855  -3.755
+ 2975TIP3    H215235  -4.004   1.752  -3.732
+ 2976TIP3   OH215236  -3.673   1.867  -3.923
+ 2976TIP3    H115237  -3.576   1.876  -3.918
+ 2976TIP3    H215238  -3.698   1.927  -3.996
+ 2977TIP3   OH215239  -3.051   1.619  -3.256
+ 2977TIP3    H115240  -3.114   1.623  -3.181
+ 2977TIP3    H215241  -3.111   1.590  -3.326
+ 2978TIP3   OH215242  -3.812   1.982  -4.158
+ 2978TIP3    H115243  -3.874   1.934  -4.216
+ 2978TIP3    H215244  -3.739   2.003  -4.218
+ 2979TIP3   OH215245  -2.751   3.200  -2.589
+ 2979TIP3    H115246  -2.729   3.246  -2.672
+ 2979TIP3    H215247  -2.680   3.231  -2.530
+ 2980TIP3   OH215248  -3.953   2.460  -2.647
+ 2980TIP3    H115249  -3.890   2.465  -2.572
+ 2980TIP3    H215250  -4.037   2.472  -2.598
+ 2981TIP3   OH215251  -3.390   1.961  -3.376
+ 2981TIP3    H115252  -3.314   1.921  -3.420
+ 2981TIP3    H215253  -3.404   1.901  -3.300
+ 2982TIP3   OH215254  -3.871   1.599  -3.753
+ 2982TIP3    H115255  -3.914   1.513  -3.749
+ 2982TIP3    H215256  -3.789   1.578  -3.799
+ 2983TIP3   OH215257  -3.492   1.807  -3.149
+ 2983TIP3    H115258  -3.569   1.867  -3.150
+ 2983TIP3    H215259  -3.444   1.834  -3.069
+ 2984TIP3   OH215260  -3.475   2.445  -3.960
+ 2984TIP3    H115261  -3.553   2.398  -3.995
+ 2984TIP3    H215262  -3.496   2.452  -3.864
+ 2985TIP3   OH215263  -2.754   2.363  -3.087
+ 2985TIP3    H115264  -2.705   2.418  -3.151
+ 2985TIP3    H215265  -2.840   2.353  -3.133
+ 2986TIP3   OH215266  -3.060   1.723  -4.182
+ 2986TIP3    H115267  -3.158   1.723  -4.188
+ 2986TIP3    H215268  -3.040   1.801  -4.127
+ 2987TIP3   OH215269  -3.315   2.448  -2.828
+ 2987TIP3    H115270  -3.343   2.418  -2.741
+ 2987TIP3    H215271  -3.343   2.540  -2.829
+ 2988TIP3   OH215272  -3.000   1.909  -3.988
+ 2988TIP3    H115273  -2.914   1.893  -3.946
+ 2988TIP3    H215274  -2.987   1.997  -4.029
+ 2989TIP3   OH215275  -3.978   2.377  -3.391
+ 2989TIP3    H115276  -3.910   2.371  -3.460
+ 2989TIP3    H215277  -3.961   2.296  -3.339
+ 2990TIP3   OH215278  -3.233   2.581  -4.069
+ 2990TIP3    H115279  -3.262   2.670  -4.038
+ 2990TIP3    H215280  -3.311   2.528  -4.042
+ 2991TIP3   OH215281  -4.238   2.231  -2.823
+ 2991TIP3    H115282  -4.231   2.166  -2.752
+ 2991TIP3    H215283  -4.287   2.180  -2.892
+ 2992TIP3   OH215284  -3.541   2.164  -2.653
+ 2992TIP3    H115285  -3.575   2.139  -2.740
+ 2992TIP3    H215286  -3.447   2.137  -2.662
+ 2993TIP3   OH215287  -3.088   2.704  -2.881
+ 2993TIP3    H115288  -3.184   2.716  -2.887
+ 2993TIP3    H215289  -3.070   2.733  -2.789
+ 2994TIP3   OH215290  -2.531   1.921  -3.999
+ 2994TIP3    H115291  -2.593   1.901  -4.072
+ 2994TIP3    H215292  -2.517   2.016  -4.017
+ 2995TIP3   OH215293  -2.489   2.514  -2.723
+ 2995TIP3    H115294  -2.582   2.537  -2.743
+ 2995TIP3    H215295  -2.454   2.499  -2.813
+ 2996TIP3   OH215296  -2.709   2.774  -3.992
+ 2996TIP3    H115297  -2.735   2.698  -3.939
+ 2996TIP3    H215298  -2.672   2.734  -4.072
+ 2997TIP3   OH215299  -2.990   2.306  -3.256
+ 2997TIP3    H115300  -3.083   2.292  -3.280
+ 2997TIP3    H215301  -2.946   2.235  -3.306
+ 2998TIP3   OH215302  -3.727   2.715  -3.651
+ 2998TIP3    H115303  -3.686   2.802  -3.664
+ 2998TIP3    H215304  -3.819   2.733  -3.675
+ 2999TIP3   OH215305  -4.150   2.194  -4.163
+ 2999TIP3    H115306  -4.078   2.257  -4.143
+ 2999TIP3    H215307  -4.221   2.257  -4.187
+ 3000TIP3   OH215308  -3.544   2.484  -3.691
+ 3000TIP3    H115309  -3.571   2.575  -3.675
+ 3000TIP3    H215310  -3.615   2.434  -3.648
+ 3001TIP3   OH215311  -3.526   2.910  -3.055
+ 3001TIP3    H115312  -3.471   2.985  -3.084
+ 3001TIP3    H215313  -3.464   2.861  -2.998
+ 3002TIP3   OH215314  -3.682   3.004  -3.733
+ 3002TIP3    H115315  -3.777   3.018  -3.724
+ 3002TIP3    H215316  -3.647   3.092  -3.708
+ 3003TIP3   OH215317  -3.186   2.484  -3.099
+ 3003TIP3    H115318  -3.214   2.458  -3.009
+ 3003TIP3    H215319  -3.112   2.424  -3.115
+ 3004TIP3   OH215320  -2.969   2.612  -4.194
+ 3004TIP3    H115321  -2.921   2.568  -4.122
+ 3004TIP3    H215322  -3.060   2.604  -4.160
+ 3005TIP3   OH215323  -2.891   2.942  -2.859
+ 3005TIP3    H115324  -2.967   2.898  -2.902
+ 3005TIP3    H215325  -2.880   3.022  -2.914
+ 3006TIP3   OH215326  -2.481   3.059  -4.160
+ 3006TIP3    H115327  -2.411   3.126  -4.145
+ 3006TIP3    H215328  -2.560   3.111  -4.136
+ 3007TIP3   OH215329  -4.100   1.687  -2.887
+ 3007TIP3    H115330  -4.186   1.724  -2.915
+ 3007TIP3    H215331  -4.123   1.602  -2.846
+ 3008TIP3   OH215332  -2.871   2.473  -3.968
+ 3008TIP3    H115333  -2.897   2.403  -3.906
+ 3008TIP3    H215334  -2.774   2.471  -3.960
+ 3009TIP3   OH215335  -4.128   2.857  -3.046
+ 3009TIP3    H115336  -4.109   2.763  -3.035
+ 3009TIP3    H215337  -4.095   2.892  -2.962
+ 3010TIP3   OH215338  -3.520   2.717  -4.327
+ 3010TIP3    H115339  -3.482   2.631  -4.354
+ 3010TIP3    H215340  -3.574   2.690  -4.250
+ 3011TIP3   OH215341  -3.662   2.672  -4.078
+ 3011TIP3    H115342  -3.613   2.621  -4.012
+ 3011TIP3    H215343  -3.645   2.764  -4.050
+ 3012TIP3   OH215344  -3.984   2.409  -4.038
+ 3012TIP3    H115345  -4.058   2.449  -3.987
+ 3012TIP3    H215346  -3.941   2.491  -4.068
+ 3013TIP3   OH215347  -3.206   1.660  -3.037
+ 3013TIP3    H115348  -3.149   1.691  -2.966
+ 3013TIP3    H215349  -3.260   1.591  -2.994
+ 3014TIP3   OH215350  -3.146   1.617  -3.921
+ 3014TIP3    H115351  -3.122   1.669  -3.999
+ 3014TIP3    H215352  -3.101   1.664  -3.850
+ 3015TIP3   OH215353  -3.369   2.831  -4.028
+ 3015TIP3    H115354  -3.447   2.882  -4.003
+ 3015TIP3    H215355  -3.317   2.898  -4.075
+ 3016TIP3   OH215356  -3.404   1.806  -3.815
+ 3016TIP3    H115357  -3.328   1.866  -3.802
+ 3016TIP3    H215358  -3.434   1.792  -3.723
+ 3017TIP3   OH215359  -3.368   1.895  -2.900
+ 3017TIP3    H115360  -3.365   1.950  -2.819
+ 3017TIP3    H215361  -3.313   1.821  -2.874
+ 3018TIP3   OH215362  -3.338   1.510  -3.721
+ 3018TIP3    H115363  -3.364   1.581  -3.659
+ 3018TIP3    H215364  -3.271   1.556  -3.775
+ 3019TIP3   OH215365  -3.648   2.949  -4.025
+ 3019TIP3    H115366  -3.645   3.034  -4.074
+ 3019TIP3    H215367  -3.662   2.979  -3.933
+ 3020TIP3   OH215368  -3.773   1.616  -4.074
+ 3020TIP3    H115369  -3.771   1.694  -4.015
+ 3020TIP3    H215370  -3.695   1.566  -4.042
+ 3021TIP3   OH215371  -2.741   1.699  -2.811
+ 3021TIP3    H115372  -2.837   1.712  -2.826
+ 3021TIP3    H215373  -2.714   1.678  -2.901
+ 3022TIP3   OH215374  -2.890   2.082  -3.409
+ 3022TIP3    H115375  -2.972   2.037  -3.435
+ 3022TIP3    H215376  -2.842   2.010  -3.361
+ 3023TIP3   OH215377  -3.934   2.698  -4.152
+ 3023TIP3    H115378  -3.851   2.728  -4.113
+ 3023TIP3    H215379  -3.902   2.657  -4.234
+ 3024TIP3   OH215380  -4.099   1.926  -4.267
+ 3024TIP3    H115381  -4.103   2.016  -4.229
+ 3024TIP3    H215382  -4.192   1.907  -4.288
+ 3025TIP3   OH215383  -2.787   2.967  -3.269
+ 3025TIP3    H115384  -2.805   3.049  -3.320
+ 3025TIP3    H215385  -2.694   2.982  -3.245
+ 3026TIP3   OH215386  -4.024   1.408  -3.375
+ 3026TIP3    H115387  -4.057   1.409  -3.466
+ 3026TIP3    H215388  -4.071   1.331  -3.338
+ 3027TIP3   OH215389  -4.134   2.782  -3.744
+ 3027TIP3    H115390  -4.227   2.809  -3.741
+ 3027TIP3    H215391  -4.105   2.816  -3.830
+ 3028TIP3   OH215392  -4.214   3.052  -2.623
+ 3028TIP3    H115393  -4.151   3.053  -2.549
+ 3028TIP3    H215394  -4.215   2.956  -2.638
+ 3029TIP3   OH215395  -3.726   2.965  -2.450
+ 3029TIP3    H115396  -3.657   2.900  -2.429
+ 3029TIP3    H215397  -3.750   2.938  -2.540
+ 3030TIP3   OH215398  -3.305   2.901  -4.332
+ 3030TIP3    H115399  -3.386   2.846  -4.327
+ 3030TIP3    H215400  -3.240   2.832  -4.352
+ 3031TIP3   OH215401  -3.080   2.792  -2.593
+ 3031TIP3    H115402  -3.119   2.711  -2.555
+ 3031TIP3    H215403  -3.011   2.815  -2.528
+ 3032TIP3   OH215404  -2.919   2.873  -4.289
+ 3032TIP3    H115405  -2.895   2.791  -4.243
+ 3032TIP3    H215406  -2.833   2.911  -4.316
+ 3033TIP3   OH215407  -4.200   2.457  -2.561
+ 3033TIP3    H115408  -4.190   2.368  -2.598
+ 3033TIP3    H215409  -4.287   2.484  -2.594
+ 3034TIP3   OH215410  -3.779   2.464  -4.315
+ 3034TIP3    H115411  -3.753   2.413  -4.236
+ 3034TIP3    H215412  -3.699   2.466  -4.370
+ 3035TIP3   OH215413  -3.538   2.441  -2.582
+ 3035TIP3    H115414  -3.569   2.474  -2.668
+ 3035TIP3    H215415  -3.532   2.345  -2.598
+ 3036TIP3   OH215416  -3.245   2.581  -4.348
+ 3036TIP3    H115417  -3.230   2.593  -4.252
+ 3036TIP3    H215418  -3.180   2.513  -4.371
+ 3037TIP3   OH215419  -3.001   2.403  -2.844
+ 3037TIP3    H115420  -2.923   2.457  -2.863
+ 3037TIP3    H215421  -3.071   2.470  -2.845
+ 3038TIP3   OH215422  -4.135   2.125  -2.584
+ 3038TIP3    H115423  -4.054   2.073  -2.595
+ 3038TIP3    H215424  -4.123   2.158  -2.493
+ 3039TIP3   OH215425  -3.674   2.274  -4.091
+ 3039TIP3    H115426  -3.736   2.228  -4.031
+ 3039TIP3    H215427  -3.639   2.200  -4.144
+ 3040TIP3   OH215428  -3.750   2.048  -2.856
+ 3040TIP3    H115429  -3.805   2.127  -2.838
+ 3040TIP3    H215430  -3.684   2.084  -2.918
+ 3041TIP3   OH215431  -3.554   2.080  -4.272
+ 3041TIP3    H115432  -3.551   2.060  -4.367
+ 3041TIP3    H215433  -3.458   2.080  -4.251
+ 3042TIP3   OH215434  -3.219   2.319  -2.500
+ 3042TIP3    H115435  -3.130   2.300  -2.532
+ 3042TIP3    H215436  -3.244   2.235  -2.460
+ 3043TIP3   OH215437  -3.692   1.778  -2.741
+ 3043TIP3    H115438  -3.684   1.712  -2.813
+ 3043TIP3    H215439  -3.712   1.859  -2.791
+ 3044TIP3   OH215440  -3.656   1.621  -2.998
+ 3044TIP3    H115441  -3.605   1.677  -3.060
+ 3044TIP3    H215442  -3.747   1.627  -3.033
+ 3045TIP3   OH215443  -3.501   2.169  -2.957
+ 3045TIP3    H115444  -3.417   2.162  -3.005
+ 3045TIP3    H215445  -3.533   2.256  -2.987
+ 3046TIP3   OH215446  -3.045   1.962  -2.479
+ 3046TIP3    H115447  -3.022   1.869  -2.464
+ 3046TIP3    H215448  -2.957   2.003  -2.484
+ 3047TIP3   OH215449  -2.947   2.242  -2.629
+ 3047TIP3    H115450  -2.982   2.303  -2.697
+ 3047TIP3    H215451  -2.857   2.228  -2.665
+ 3048TIP3   OH215452  -3.881   1.968  -2.566
+ 3048TIP3    H115453  -3.930   1.884  -2.564
+ 3048TIP3    H215454  -3.797   1.941  -2.607
+ 3049TIP3   OH215455  -3.579   1.354  -2.970
+ 3049TIP3    H115456  -3.598   1.449  -2.983
+ 3049TIP3    H215457  -3.654   1.314  -3.019
+ 3050TIP3   OH215458  -3.458   1.814  -2.583
+ 3050TIP3    H115459  -3.492   1.793  -2.494
+ 3050TIP3    H215460  -3.538   1.795  -2.636
+ 3051TIP3   OH215461  -3.205   1.717  -2.698
+ 3051TIP3    H115462  -3.293   1.724  -2.655
+ 3051TIP3    H215463  -3.158   1.657  -2.637
+ 3052TIP3   OH215464  -3.021   1.568  -2.524
+ 3052TIP3    H115465  -3.035   1.472  -2.507
+ 3052TIP3    H215466  -3.038   1.608  -2.436
+ 3053TIP3   OH215467  -4.017   1.712  -2.580
+ 3053TIP3    H115468  -4.015   1.639  -2.644
+ 3053TIP3    H215469  -4.031   1.666  -2.495
+ 3054TIP3   OH215470  -3.601   1.307  -2.681
+ 3054TIP3    H115471  -3.543   1.230  -2.672
+ 3054TIP3    H215472  -3.601   1.322  -2.777
+ 3055TIP3   OH215473  -3.505   1.494  -2.497
+ 3055TIP3    H115474  -3.537   1.433  -2.566
+ 3055TIP3    H215475  -3.575   1.560  -2.491
+ 3056TIP3   OH215476  -3.593   3.197  -4.172
+ 3056TIP3    H115477  -3.498   3.213  -4.163
+ 3056TIP3    H215478  -3.619   3.257  -4.243
+ 3057TIP3   OH215479  -4.190   2.641  -4.233
+ 3057TIP3    H115480  -4.102   2.662  -4.193
+ 3057TIP3    H215481  -4.172   2.559  -4.280
+ 3058TIP3   OH215482  -4.275   2.965  -3.524
+ 3058TIP3    H115483  -4.277   2.876  -3.486
+ 3058TIP3    H215484  -4.243   3.015  -3.447
+ 3059TIP3   OH215485  -2.517   3.086  -3.218
+ 3059TIP3    H115486  -2.498   3.083  -3.123
+ 3059TIP3    H215487  -2.431   3.113  -3.254
+ 3060TIP3   OH215488  -2.528   3.030  -2.930
+ 3060TIP3    H115489  -2.576   2.954  -2.968
+ 3060TIP3    H215490  -2.468   2.984  -2.869
+ 3061TIP3   OH215491  -2.726   2.571  -2.501
+ 3061TIP3    H115492  -2.815   2.581  -2.463
+ 3061TIP3    H215493  -2.681   2.652  -2.473
+ 3062TIP3   OH215494  -2.586   2.456  -3.930
+ 3062TIP3    H115495  -2.497   2.493  -3.917
+ 3062TIP3    H215496  -2.589   2.393  -3.856
+ 3063TIP3   OH215497  -2.541   2.256  -3.732
+ 3063TIP3    H115498  -2.607   2.200  -3.687
+ 3063TIP3    H215499  -2.472   2.270  -3.664
+ 3064TIP3   OH215500  -2.568   2.508  -3.234
+ 3064TIP3    H115501  -2.505   2.460  -3.291
+ 3064TIP3    H215502  -2.554   2.600  -3.262
+ 3065TIP3   OH215503  -2.696   2.798  -3.008
+ 3065TIP3    H115504  -2.769   2.841  -2.960
+ 3065TIP3    H215505  -2.742   2.764  -3.088
+ 3066TIP3   OH215506  -2.515   2.221  -4.106
+ 3066TIP3    H115507  -2.574   2.253  -4.176
+ 3066TIP3    H215508  -2.530   2.290  -4.039
+ 3067TIP3   OH215509  -2.693   1.959  -4.218
+ 3067TIP3    H115510  -2.663   2.037  -4.267
+ 3067TIP3    H215511  -2.645   1.889  -4.263
+ 3068TIP3   OH215512  -2.747   2.070  -3.650
+ 3068TIP3    H115513  -2.756   1.975  -3.666
+ 3068TIP3    H215514  -2.785   2.080  -3.560
+ 3069TIP3   OH215515  -4.256   2.321  -3.253
+ 3069TIP3    H115516  -4.222   2.345  -3.341
+ 3069TIP3    H215517  -4.177   2.280  -3.213
+ 3070TIP3   OH215518  -2.686   2.264  -2.736
+ 3070TIP3    H115519  -2.612   2.204  -2.718
+ 3070TIP3    H215520  -2.642   2.347  -2.756
+ 3071TIP3   OH215521  -2.530   2.074  -2.613
+ 3071TIP3    H115522  -2.610   2.022  -2.636
+ 3071TIP3    H215523  -2.460   2.006  -2.617
+ 3072TIP3   OH215524  -2.765   1.633  -4.339
+ 3072TIP3    H115525  -2.710   1.625  -4.261
+ 3072TIP3    H215526  -2.855   1.609  -4.309
+ 3073TIP3   OH215527  -2.767   1.824  -3.836
+ 3073TIP3    H115528  -2.738   1.730  -3.829
+ 3073TIP3    H215529  -2.687   1.864  -3.872
+ 3074TIP3   OH215530  -2.737   1.881  -3.289
+ 3074TIP3    H115531  -2.640   1.893  -3.293
+ 3074TIP3    H215532  -2.751   1.887  -3.193
+ 3075TIP3   OH215533  -2.721   1.951  -3.008
+ 3075TIP3    H115534  -2.806   1.991  -2.980
+ 3075TIP3    H215535  -2.668   2.031  -3.028
+ 3076TIP3   OH215536  -4.285   1.815  -2.647
+ 3076TIP3    H115537  -4.195   1.778  -2.643
+ 3076TIP3    H215538  -4.343   1.741  -2.625
+ 3077TIP3   OH215539  -2.462   1.368  -2.476
+ 3077TIP3    H115540  -2.423   1.297  -2.531
+ 3077TIP3    H215541  -2.461   1.444  -2.537
+ 3078TIP3   OH215542  -2.705   1.553  -3.829
+ 3078TIP3    H115543  -2.697   1.514  -3.740
+ 3078TIP3    H215544  -2.784   1.505  -3.863
+ 3079TIP3   OH215545  -4.195   1.671  -3.329
+ 3079TIP3    H115546  -4.159   1.581  -3.332
+ 3079TIP3    H215547  -4.115   1.724  -3.311
+ 3080TIP3   OH215548  -4.334   1.933  -3.245
+ 3080TIP3    H115549  -4.294   1.882  -3.317
+ 3080TIP3    H215550  -4.317   2.024  -3.273
+ 3081TIP3   OH215551  -2.527   1.571  -2.654
+ 3081TIP3    H115552  -2.615   1.612  -2.649
+ 3081TIP3    H215553  -2.538   1.516  -2.734
+ 3082TIP3   OH215554  -2.512   1.586  -4.175
+ 3082TIP3    H115555  -2.486   1.518  -4.238
+ 3082TIP3    H215556  -2.430   1.639  -4.170
+ 3083TIP3   OH215557  -4.314   1.545  -3.895
+ 3083TIP3    H115558  -4.399   1.576  -3.931
+ 3083TIP3    H215559  -4.255   1.615  -3.930
+ 3084TIP3   OH215560  -2.828   3.086  -3.641
+ 3084TIP3    H115561  -2.779   3.062  -3.721
+ 3084TIP3    H215562  -2.760   3.128  -3.587
+ 3085TIP3   OH215563  -4.291   1.439  -3.059
+ 3085TIP3    H115564  -4.359   1.432  -2.987
+ 3085TIP3    H215565  -4.334   1.491  -3.128
+ 3086TIP3   OH215566  -4.118   2.794  -2.589
+ 3086TIP3    H115567  -4.169   2.732  -2.641
+ 3086TIP3    H215568  -4.133   2.761  -2.498
+ 3087TIP3   OH215569  -3.802   2.860  -2.997
+ 3087TIP3    H115570  -3.833   2.944  -3.036
+ 3087TIP3    H215571  -3.706   2.869  -3.016
+ 3088TIP3   OH215572  -3.352   2.989  -2.699
+ 3088TIP3    H115573  -3.337   2.973  -2.604
+ 3088TIP3    H215574  -3.269   3.035  -2.724
+ 3089TIP3   OH215575  -3.124   3.135  -2.774
+ 3089TIP3    H115576  -3.054   3.071  -2.798
+ 3089TIP3    H215577  -3.092   3.166  -2.687
+ 3090TIP3   OH215578  -2.648   1.392  -2.858
+ 3090TIP3    H115579  -2.722   1.420  -2.915
+ 3090TIP3    H215580  -2.626   1.304  -2.894
+ 3091TIP3   OH215581  -4.070   3.164  -2.974
+ 3091TIP3    H115582  -4.137   3.216  -3.022
+ 3091TIP3    H215583  -4.101   3.173  -2.883
+ 3092TIP3   OH215584  -3.818   3.132  -3.110
+ 3092TIP3    H115585  -3.905   3.151  -3.069
+ 3092TIP3    H215586  -3.814   3.198  -3.181
+ 3093TIP3   OH215587  -3.342   3.131  -3.155
+ 3093TIP3    H115588  -3.379   3.176  -3.233
+ 3093TIP3    H215589  -3.332   3.206  -3.093
+ 3094TIP3   OH215590  -3.108   3.002  -3.063
+ 3094TIP3    H115591  -3.193   3.039  -3.096
+ 3094TIP3    H215592  -3.051   3.080  -3.066
+ 3095TIP3   OH215593  -2.856   3.175  -3.045
+ 3095TIP3    H115594  -2.859   3.271  -3.066
+ 3095TIP3    H215595  -2.826   3.140  -3.130
+ 3096TIP3   OH215596  -4.125   3.040  -3.276
+ 3096TIP3    H115597  -4.134   2.995  -3.190
+ 3096TIP3    H215598  -4.049   2.993  -3.315
+ 3097TIP3   OH215599  -3.910   2.914  -3.424
+ 3097TIP3    H115600  -3.926   2.821  -3.398
+ 3097TIP3    H215601  -3.819   2.929  -3.392
+ 3098TIP3   OH215602  -3.630   2.956  -3.339
+ 3098TIP3    H115603  -3.612   2.863  -3.362
+ 3098TIP3    H215604  -3.624   2.952  -3.243
+ 3099TIP3   OH215605  -3.295   1.546  -3.407
+ 3099TIP3    H115606  -3.362   1.478  -3.388
+ 3099TIP3    H215607  -3.239   1.501  -3.472
+ 3100TIP3   OH215608  -2.801   1.344  -3.369
+ 3100TIP3    H115609  -2.724   1.392  -3.405
+ 3100TIP3    H215610  -2.875   1.382  -3.420
+ 3101TIP3   OH215611  -2.595   1.456  -3.576
+ 3101TIP3    H115612  -2.523   1.414  -3.626
+ 3101TIP3    H215613  -2.562   1.548  -3.567
+ 3102TIP3   OH215614  -4.107   1.403  -3.654
+ 3102TIP3    H115615  -4.179   1.376  -3.712
+ 3102TIP3    H215616  -4.045   1.328  -3.666
+ 3103TIP3   OH215617  -4.180   1.368  -4.080
+ 3103TIP3    H115618  -4.130   1.434  -4.134
+ 3103TIP3    H215619  -4.229   1.426  -4.020
+ 3104TIP3   OH215620  -3.614   1.396  -3.660
+ 3104TIP3    H115621  -3.523   1.427  -3.675
+ 3104TIP3    H215622  -3.615   1.386  -3.564
+ 3105TIP3   OH215623  -3.050   1.402  -3.521
+ 3105TIP3    H115624  -3.032   1.394  -3.616
+ 3105TIP3    H215625  -3.094   1.317  -3.501
+ 3106TIP3   OH215626  -2.936   1.433  -3.915
+ 3106TIP3    H115627  -3.011   1.487  -3.946
+ 3106TIP3    H215628  -2.979   1.346  -3.918
+ 3107TIP3   OH215629  -4.180   2.979  -3.982
+ 3107TIP3    H115630  -4.253   2.964  -4.043
+ 3107TIP3    H215631  -4.190   3.072  -3.963
+ 3108TIP3   OH215632  -4.011   1.546  -4.231
+ 3108TIP3    H115633  -3.957   1.485  -4.283
+ 3108TIP3    H215634  -3.943   1.591  -4.177
+ 3109TIP3   OH215635  -3.504   1.563  -3.958
+ 3109TIP3    H115636  -3.465   1.507  -3.890
+ 3109TIP3    H215637  -3.477   1.651  -3.926
+ 3110TIP3   OH215638  -3.297   3.124  -4.145
+ 3110TIP3    H115639  -3.200   3.137  -4.150
+ 3110TIP3    H215640  -3.309   3.064  -4.221
+ 3111TIP3   OH215641  -2.636   3.044  -3.884
+ 3111TIP3    H115642  -2.665   2.961  -3.927
+ 3111TIP3    H215643  -2.657   3.110  -3.953
+ 3112TIP3   OH215644  -4.077   1.438  -2.707
+ 3112TIP3    H115645  -4.124   1.366  -2.662
+ 3112TIP3    H215646  -3.987   1.426  -2.672
+ 3113TIP3   OH215647  -3.845   1.378  -2.529
+ 3113TIP3    H115648  -3.763   1.342  -2.566
+ 3113TIP3    H215649  -3.878   1.300  -2.480
+ 3114TIP3   OH215650  -3.967   3.065  -4.250
+ 3114TIP3    H115651  -4.020   3.097  -4.176
+ 3114TIP3    H215652  -3.917   2.992  -4.213
+ 3115TIP3   OH215653  -3.033   1.288  -2.516
+ 3115TIP3    H115654  -3.032   1.245  -2.429
+ 3115TIP3    H215655  -2.938   1.286  -2.539
+ 3116TIP3   OH215656  -2.696   2.922  -2.639
+ 3116TIP3    H115657  -2.768   2.904  -2.702
+ 3116TIP3    H215658  -2.711   3.016  -2.621
+ 3117TIP3   OH215659  -1.273   2.293  -3.632
+ 3117TIP3    H115660  -1.277   2.388  -3.613
+ 3117TIP3    H215661  -1.352   2.280  -3.685
+ 3118TIP3   OH215662  -1.385   2.233  -3.322
+ 3118TIP3    H115663  -1.390   2.180  -3.241
+ 3118TIP3    H215664  -1.418   2.170  -3.388
+ 3119TIP3   OH215665  -2.141   2.192  -3.153
+ 3119TIP3    H115666  -2.142   2.118  -3.089
+ 3119TIP3    H215667  -2.071   2.248  -3.116
+ 3120TIP3   OH215668  -1.019   2.506  -3.488
+ 3120TIP3    H115669  -1.059   2.438  -3.433
+ 3120TIP3    H215670  -0.997   2.573  -3.422
+ 3121TIP3   OH215671  -2.078   2.654  -3.299
+ 3121TIP3    H115672  -2.099   2.563  -3.327
+ 3121TIP3    H215673  -1.982   2.646  -3.284
+ 3122TIP3   OH215674  -2.377   1.995  -3.762
+ 3122TIP3    H115675  -2.415   2.084  -3.752
+ 3122TIP3    H215676  -2.447   1.949  -3.809
+ 3123TIP3   OH215677  -2.297   2.242  -3.579
+ 3123TIP3    H115678  -2.281   2.159  -3.529
+ 3123TIP3    H215679  -2.213   2.255  -3.624
+ 3124TIP3   OH215680  -1.294   3.057  -3.415
+ 3124TIP3    H115681  -1.284   2.983  -3.477
+ 3124TIP3    H215682  -1.335   3.012  -3.339
+ 3125TIP3   OH215683  -1.541   2.484  -3.262
+ 3125TIP3    H115684  -1.507   2.414  -3.321
+ 3125TIP3    H215685  -1.459   2.501  -3.211
+ 3126TIP3   OH215686  -0.669   1.637  -3.203
+ 3126TIP3    H115687  -0.648   1.697  -3.129
+ 3126TIP3    H215688  -0.610   1.671  -3.272
+ 3127TIP3   OH215689  -1.210   1.918  -3.212
+ 3127TIP3    H115690  -1.196   1.822  -3.208
+ 3127TIP3    H215691  -1.220   1.932  -3.308
+ 3128TIP3   OH215692  -1.914   1.720  -3.505
+ 3128TIP3    H115693  -1.900   1.805  -3.550
+ 3128TIP3    H215694  -1.950   1.668  -3.579
+ 3129TIP3   OH215695  -1.130   1.735  -3.674
+ 3129TIP3    H115696  -1.072   1.692  -3.608
+ 3129TIP3    H215697  -1.064   1.779  -3.730
+ 3130TIP3   OH215698  -2.245   1.992  -3.453
+ 3130TIP3    H115699  -2.181   1.945  -3.397
+ 3130TIP3    H215700  -2.236   1.944  -3.538
+ 3131TIP3   OH215701  -1.706   2.132  -3.509
+ 3131TIP3    H115702  -1.637   2.076  -3.468
+ 3131TIP3    H215703  -1.757   2.065  -3.559
+ 3132TIP3   OH215704  -0.603   1.774  -2.952
+ 3132TIP3    H115705  -0.662   1.846  -2.980
+ 3132TIP3    H215706  -0.619   1.773  -2.857
+ 3133TIP3   OH215707  -2.033   1.599  -3.088
+ 3133TIP3    H115708  -2.073   1.649  -3.161
+ 3133TIP3    H215709  -2.099   1.613  -3.018
+ 3134TIP3   OH215710  -1.281   2.593  -3.753
+ 3134TIP3    H115711  -1.327   2.561  -3.830
+ 3134TIP3    H215712  -1.334   2.670  -3.727
+ 3135TIP3   OH215713  -1.740   2.387  -3.076
+ 3135TIP3    H115714  -1.813   2.447  -3.051
+ 3135TIP3    H215715  -1.679   2.447  -3.121
+ 3136TIP3   OH215716  -0.946   1.662  -3.470
+ 3136TIP3    H115717  -0.985   1.600  -3.406
+ 3136TIP3    H215718  -0.895   1.721  -3.413
+ 3137TIP3   OH215719  -2.073   1.803  -3.295
+ 3137TIP3    H115720  -2.009   1.861  -3.249
+ 3137TIP3    H215721  -2.016   1.766  -3.366
+ 3138TIP3   OH215722  -1.942   2.573  -3.002
+ 3138TIP3    H115723  -1.944   2.664  -3.038
+ 3138TIP3    H215724  -2.029   2.572  -2.958
+ 3139TIP3   OH215725  -2.312   2.547  -3.917
+ 3139TIP3    H115726  -2.329   2.591  -4.003
+ 3139TIP3    H215727  -2.294   2.621  -3.856
+ 3140TIP3   OH215728  -0.965   2.689  -3.240
+ 3140TIP3    H115729  -1.062   2.701  -3.236
+ 3140TIP3    H215730  -0.938   2.776  -3.274
+ 3141TIP3   OH215731  -0.931   1.578  -3.086
+ 3141TIP3    H115732  -1.009   1.615  -3.132
+ 3141TIP3    H215733  -0.860   1.594  -3.151
+ 3142TIP3   OH215734  -1.620   1.348  -3.381
+ 3142TIP3    H115735  -1.643   1.253  -3.386
+ 3142TIP3    H215736  -1.702   1.387  -3.344
+ 3143TIP3   OH215737  -1.138   2.875  -3.593
+ 3143TIP3    H115738  -1.081   2.804  -3.627
+ 3143TIP3    H215739  -1.078   2.951  -3.592
+ 3144TIP3   OH215740  -0.979   2.660  -3.730
+ 3144TIP3    H115741  -1.051   2.625  -3.785
+ 3144TIP3    H215742  -0.991   2.608  -3.648
+ 3145TIP3   OH215743  -0.833   2.551  -2.870
+ 3145TIP3    H115744  -0.847   2.489  -2.944
+ 3145TIP3    H215745  -0.826   2.636  -2.917
+ 3146TIP3   OH215746  -1.406   2.239  -3.905
+ 3146TIP3    H115747  -1.474   2.302  -3.936
+ 3146TIP3    H215748  -1.336   2.251  -3.971
+ 3147TIP3   OH215749  -1.389   2.065  -4.207
+ 3147TIP3    H115750  -1.322   2.095  -4.144
+ 3147TIP3    H215751  -1.334   2.004  -4.262
+ 3148TIP3   OH215752  -0.660   2.170  -3.076
+ 3148TIP3    H115753  -0.734   2.234  -3.068
+ 3148TIP3    H215754  -0.614   2.206  -3.155
+ 3149TIP3   OH215755  -1.057   2.243  -3.795
+ 3149TIP3    H115756  -1.127   2.265  -3.729
+ 3149TIP3    H215757  -1.000   2.184  -3.741
+ 3150TIP3   OH215758  -1.075   2.095  -2.909
+ 3150TIP3    H115759  -1.069   2.178  -2.858
+ 3150TIP3    H215760  -1.139   2.125  -2.977
+ 3151TIP3   OH215761  -1.901   2.318  -3.615
+ 3151TIP3    H115762  -1.930   2.276  -3.698
+ 3151TIP3    H215763  -1.832   2.257  -3.583
+ 3152TIP3   OH215764  -1.771   2.650  -3.339
+ 3152TIP3    H115765  -1.772   2.628  -3.433
+ 3152TIP3    H215766  -1.686   2.613  -3.310
+ 3153TIP3   OH215767  -1.838   2.198  -3.266
+ 3153TIP3    H115768  -1.783   2.205  -3.346
+ 3153TIP3    H215769  -1.802   2.269  -3.208
+ 3154TIP3   OH215770  -1.241   2.749  -3.207
+ 3154TIP3    H115771  -1.244   2.820  -3.141
+ 3154TIP3    H215772  -1.268   2.670  -3.158
+ 3155TIP3   OH215773  -1.758   2.628  -2.781
+ 3155TIP3    H115774  -1.806   2.699  -2.734
+ 3155TIP3    H215775  -1.820   2.607  -2.853
+ 3156TIP3   OH215776  -1.150   2.187  -4.056
+ 3156TIP3    H115777  -1.109   2.214  -3.971
+ 3156TIP3    H215778  -1.091   2.232  -4.120
+ 3157TIP3   OH215779  -2.062   2.269  -2.869
+ 3157TIP3    H115780  -2.057   2.330  -2.793
+ 3157TIP3    H215781  -2.158   2.260  -2.879
+ 3158TIP3   OH215782  -1.944   2.847  -2.703
+ 3158TIP3    H115783  -1.955   2.856  -2.800
+ 3158TIP3    H215784  -2.034   2.822  -2.673
+ 3159TIP3   OH215785  -0.808   1.352  -4.077
+ 3159TIP3    H115786  -0.902   1.367  -4.054
+ 3159TIP3    H215787  -0.779   1.442  -4.100
+ 3160TIP3   OH215788  -2.006   2.193  -3.863
+ 3160TIP3    H115789  -2.029   2.270  -3.919
+ 3160TIP3    H215790  -2.074   2.129  -3.889
+ 3161TIP3   OH215791  -0.666   2.764  -4.206
+ 3161TIP3    H115792  -0.678   2.861  -4.205
+ 3161TIP3    H215793  -0.586   2.753  -4.258
+ 3162TIP3   OH215794  -2.401   2.461  -2.990
+ 3162TIP3    H115795  -2.444   2.462  -3.077
+ 3162TIP3    H215796  -2.388   2.365  -2.974
+ 3163TIP3   OH215797  -2.395   2.752  -3.295
+ 3163TIP3    H115798  -2.302   2.725  -3.293
+ 3163TIP3    H215799  -2.398   2.815  -3.222
+ 3164TIP3   OH215800  -0.557   2.814  -2.718
+ 3164TIP3    H115801  -0.569   2.719  -2.736
+ 3164TIP3    H215802  -0.648   2.840  -2.691
+ 3165TIP3   OH215803  -1.491   2.735  -2.839
+ 3165TIP3    H115804  -1.483   2.819  -2.790
+ 3165TIP3    H215805  -1.582   2.708  -2.816
+ 3166TIP3   OH215806  -2.071   3.039  -3.691
+ 3166TIP3    H115807  -2.037   2.994  -3.611
+ 3166TIP3    H215808  -2.148   2.986  -3.712
+ 3167TIP3   OH215809  -1.133   3.072  -4.148
+ 3167TIP3    H115810  -1.088   3.009  -4.208
+ 3167TIP3    H215811  -1.136   3.023  -4.064
+ 3168TIP3   OH215812  -1.209   3.008  -3.858
+ 3168TIP3    H115813  -1.303   3.022  -3.835
+ 3168TIP3    H215814  -1.183   2.947  -3.787
+ 3169TIP3   OH215815  -0.879   1.950  -2.678
+ 3169TIP3    H115816  -0.929   1.991  -2.750
+ 3169TIP3    H215817  -0.873   1.858  -2.708
+ 3170TIP3   OH215818  -2.183   2.616  -2.864
+ 3170TIP3    H115819  -2.155   2.567  -2.784
+ 3170TIP3    H215820  -2.255   2.561  -2.899
+ 3171TIP3   OH215821  -1.861   1.463  -3.291
+ 3171TIP3    H115822  -1.945   1.457  -3.341
+ 3171TIP3    H215823  -1.883   1.535  -3.230
+ 3172TIP3   OH215824  -1.425   1.413  -2.920
+ 3172TIP3    H115825  -1.378   1.347  -2.866
+ 3172TIP3    H215826  -1.519   1.386  -2.911
+ 3173TIP3   OH215827  -1.108   1.800  -2.873
+ 3173TIP3    H115828  -1.169   1.786  -2.798
+ 3173TIP3    H215829  -1.115   1.896  -2.889
+ 3174TIP3   OH215830  -0.920   2.267  -4.255
+ 3174TIP3    H115831  -0.978   2.252  -4.331
+ 3174TIP3    H215832  -0.905   2.361  -4.265
+ 3175TIP3   OH215833  -1.442   1.659  -4.216
+ 3175TIP3    H115834  -1.497   1.664  -4.137
+ 3175TIP3    H215835  -1.488   1.591  -4.266
+ 3176TIP3   OH215836  -1.875   1.941  -3.148
+ 3176TIP3    H115837  -1.935   1.954  -3.072
+ 3176TIP3    H215838  -1.867   2.033  -3.184
+ 3177TIP3   OH215839  -1.882   1.949  -3.660
+ 3177TIP3    H115840  -1.977   1.940  -3.677
+ 3177TIP3    H215841  -1.847   1.930  -3.750
+ 3178TIP3   OH215842  -1.314   2.003  -3.785
+ 3178TIP3    H115843  -1.355   2.087  -3.818
+ 3178TIP3    H215844  -1.251   1.984  -3.857
+ 3179TIP3   OH215845  -1.400   2.025  -2.649
+ 3179TIP3    H115846  -1.452   1.952  -2.611
+ 3179TIP3    H215847  -1.313   2.013  -2.606
+ 3180TIP3   OH215848  -1.236   1.944  -3.505
+ 3180TIP3    H115849  -1.264   2.002  -3.579
+ 3180TIP3    H215850  -1.214   1.863  -3.556
+ 3181TIP3   OH215851  -2.144   1.958  -2.964
+ 3181TIP3    H115852  -2.113   1.989  -2.878
+ 3181TIP3    H215853  -2.176   1.869  -2.942
+ 3182TIP3   OH215854  -1.767   1.697  -4.314
+ 3182TIP3    H115855  -1.803   1.672  -4.227
+ 3182TIP3    H215856  -1.842   1.750  -4.349
+ 3183TIP3   OH215857  -2.459   1.702  -3.599
+ 3183TIP3    H115858  -2.395   1.701  -3.525
+ 3183TIP3    H215859  -2.407   1.667  -3.673
+ 3184TIP3   OH215860  -2.300   1.749  -4.038
+ 3184TIP3    H115861  -2.244   1.797  -4.102
+ 3184TIP3    H215862  -2.367   1.816  -4.017
+ 3185TIP3   OH215863  -1.326   2.113  -3.059
+ 3185TIP3    H115864  -1.282   2.041  -3.109
+ 3185TIP3    H215865  -1.359   2.066  -2.981
+ 3186TIP3   OH215866  -1.604   1.707  -3.557
+ 3186TIP3    H115867  -1.699   1.704  -3.536
+ 3186TIP3    H215868  -1.564   1.690  -3.470
+ 3187TIP3   OH215869  -2.149   1.829  -3.689
+ 3187TIP3    H115870  -2.230   1.858  -3.736
+ 3187TIP3    H215871  -2.120   1.752  -3.740
+ 3188TIP3   OH215872  -1.787   1.870  -3.922
+ 3188TIP3    H115873  -1.690   1.876  -3.917
+ 3188TIP3    H215874  -1.811   1.927  -3.997
+ 3189TIP3   OH215875  -1.165   1.622  -3.254
+ 3189TIP3    H115876  -1.231   1.623  -3.181
+ 3189TIP3    H215877  -1.222   1.588  -3.326
+ 3190TIP3   OH215878  -1.927   1.982  -4.157
+ 3190TIP3    H115879  -1.991   1.935  -4.212
+ 3190TIP3    H215880  -1.855   2.002  -4.218
+ 3191TIP3   OH215881  -0.863   3.197  -2.590
+ 3191TIP3    H115882  -0.845   3.246  -2.671
+ 3191TIP3    H215883  -0.797   3.233  -2.529
+ 3192TIP3   OH215884  -2.075   2.459  -2.647
+ 3192TIP3    H115885  -2.007   2.470  -2.577
+ 3192TIP3    H215886  -2.155   2.465  -2.591
+ 3193TIP3   OH215887  -1.503   1.962  -3.374
+ 3193TIP3    H115888  -1.429   1.919  -3.420
+ 3193TIP3    H215889  -1.519   1.901  -3.300
+ 3194TIP3   OH215890  -1.972   1.604  -3.762
+ 3194TIP3    H115891  -2.027   1.526  -3.747
+ 3194TIP3    H215892  -1.890   1.566  -3.796
+ 3195TIP3   OH215893  -1.606   1.809  -3.150
+ 3195TIP3    H115894  -1.684   1.866  -3.150
+ 3195TIP3    H215895  -1.559   1.835  -3.068
+ 3196TIP3   OH215896  -1.589   2.443  -3.959
+ 3196TIP3    H115897  -1.668   2.399  -3.995
+ 3196TIP3    H215898  -1.613   2.456  -3.864
+ 3197TIP3   OH215899  -0.869   2.362  -3.088
+ 3197TIP3    H115900  -0.821   2.418  -3.152
+ 3197TIP3    H215901  -0.956   2.352  -3.132
+ 3198TIP3   OH215902  -1.176   1.723  -4.185
+ 3198TIP3    H115903  -1.274   1.721  -4.187
+ 3198TIP3    H215904  -1.155   1.799  -4.127
+ 3199TIP3   OH215905  -1.429   2.447  -2.827
+ 3199TIP3    H115906  -1.459   2.419  -2.740
+ 3199TIP3    H215907  -1.457   2.540  -2.830
+ 3200TIP3   OH215908  -1.115   1.908  -3.988
+ 3200TIP3    H115909  -1.029   1.891  -3.946
+ 3200TIP3    H215910  -1.102   1.996  -4.029
+ 3201TIP3   OH215911  -2.080   2.384  -3.379
+ 3201TIP3    H115912  -2.023   2.377  -3.457
+ 3201TIP3    H215913  -2.066   2.298  -3.336
+ 3202TIP3   OH215914  -1.346   2.576  -4.069
+ 3202TIP3    H115915  -1.373   2.665  -4.040
+ 3202TIP3    H215916  -1.424   2.524  -4.041
+ 3203TIP3   OH215917  -2.353   2.214  -2.851
+ 3203TIP3    H115918  -2.336   2.168  -2.766
+ 3203TIP3    H215919  -2.413   2.153  -2.897
+ 3204TIP3   OH215920  -1.655   2.162  -2.652
+ 3204TIP3    H115921  -1.691   2.139  -2.740
+ 3204TIP3    H215922  -1.561   2.140  -2.665
+ 3205TIP3   OH215923  -1.202   2.701  -2.880
+ 3205TIP3    H115924  -1.298   2.716  -2.887
+ 3205TIP3    H215925  -1.184   2.732  -2.789
+ 3206TIP3   OH215926  -0.644   1.918  -3.998
+ 3206TIP3    H115927  -0.706   1.896  -4.071
+ 3206TIP3    H215928  -0.635   2.013  -4.017
+ 3207TIP3   OH215929  -0.603   2.515  -2.724
+ 3207TIP3    H115930  -0.696   2.538  -2.743
+ 3207TIP3    H215931  -0.569   2.500  -2.814
+ 3208TIP3   OH215932  -0.833   2.776  -3.994
+ 3208TIP3    H115933  -0.856   2.701  -3.939
+ 3208TIP3    H215934  -0.780   2.736  -4.066
+ 3209TIP3   OH215935  -1.104   2.306  -3.256
+ 3209TIP3    H115936  -1.197   2.292  -3.280
+ 3209TIP3    H215937  -1.061   2.234  -3.306
+ 3210TIP3   OH215938  -1.837   2.734  -3.656
+ 3210TIP3    H115939  -1.772   2.806  -3.674
+ 3210TIP3    H215940  -1.918   2.771  -3.692
+ 3211TIP3   OH215941  -2.232   2.203  -4.197
+ 3211TIP3    H115942  -2.178   2.271  -4.152
+ 3211TIP3    H215943  -2.322   2.227  -4.169
+ 3212TIP3   OH215944  -1.662   2.490  -3.692
+ 3212TIP3    H115945  -1.685   2.583  -3.676
+ 3212TIP3    H215946  -1.735   2.445  -3.648
+ 3213TIP3   OH215947  -1.640   2.909  -3.055
+ 3213TIP3    H115948  -1.588   2.986  -3.084
+ 3213TIP3    H215949  -1.577   2.864  -2.997
+ 3214TIP3   OH215950  -1.301   2.483  -3.099
+ 3214TIP3    H115951  -1.329   2.459  -3.009
+ 3214TIP3    H215952  -1.226   2.424  -3.114
+ 3215TIP3   OH215953  -1.087   2.599  -4.194
+ 3215TIP3    H115954  -1.039   2.560  -4.118
+ 3215TIP3    H215955  -1.177   2.599  -4.158
+ 3216TIP3   OH215956  -1.003   2.940  -2.862
+ 3216TIP3    H115957  -1.082   2.898  -2.902
+ 3216TIP3    H215958  -0.996   3.022  -2.913
+ 3217TIP3   OH215959  -0.595   3.058  -4.160
+ 3217TIP3    H115960  -0.526   3.125  -4.143
+ 3217TIP3    H215961  -0.675   3.106  -4.129
+ 3218TIP3   OH215962  -2.221   1.679  -2.890
+ 3218TIP3    H115963  -2.312   1.704  -2.917
+ 3218TIP3    H215964  -2.236   1.592  -2.850
+ 3219TIP3   OH215965  -0.985   2.466  -3.974
+ 3219TIP3    H115966  -1.015   2.403  -3.906
+ 3219TIP3    H215967  -0.891   2.475  -3.954
+ 3220TIP3   OH215968  -2.248   2.854  -3.049
+ 3220TIP3    H115969  -2.213   2.765  -3.036
+ 3220TIP3    H215970  -2.221   2.898  -2.967
+ 3221TIP3   OH215971  -1.637   2.717  -4.331
+ 3221TIP3    H115972  -1.599   2.630  -4.354
+ 3221TIP3    H215973  -1.685   2.695  -4.249
+ 3222TIP3   OH215974  -1.777   2.678  -4.075
+ 3222TIP3    H115975  -1.728   2.625  -4.011
+ 3222TIP3    H215976  -1.762   2.769  -4.042
+ 3223TIP3   OH215977  -2.093   2.409  -4.036
+ 3223TIP3    H115978  -2.168   2.451  -3.988
+ 3223TIP3    H215979  -2.046   2.489  -4.067
+ 3224TIP3   OH215980  -1.323   1.661  -3.036
+ 3224TIP3    H115981  -1.262   1.689  -2.965
+ 3224TIP3    H215982  -1.374   1.589  -2.993
+ 3225TIP3   OH215983  -1.265   1.617  -3.921
+ 3225TIP3    H115984  -1.234   1.667  -3.999
+ 3225TIP3    H215985  -1.213   1.658  -3.850
+ 3226TIP3   OH215986  -1.489   2.830  -4.045
+ 3226TIP3    H115987  -1.545   2.869  -3.974
+ 3226TIP3    H215988  -1.433   2.905  -4.066
+ 3227TIP3   OH215989  -1.519   1.808  -3.815
+ 3227TIP3    H115990  -1.441   1.866  -3.801
+ 3227TIP3    H215991  -1.549   1.792  -3.724
+ 3228TIP3   OH215992  -1.485   1.895  -2.900
+ 3228TIP3    H115993  -1.478   1.950  -2.820
+ 3228TIP3    H215994  -1.427   1.821  -2.878
+ 3229TIP3   OH215995  -1.456   1.510  -3.723
+ 3229TIP3    H115996  -1.478   1.580  -3.658
+ 3229TIP3    H215997  -1.385   1.554  -3.775
+ 3230TIP3   OH215998  -1.788   2.953  -4.001
+ 3230TIP3    H115999  -1.761   3.032  -4.051
+ 3230TIP3    H216000  -1.762   2.977  -3.910
+ 3231TIP3   OH216001  -1.885   1.617  -4.080
+ 3231TIP3    H116002  -1.893   1.688  -4.014
+ 3231TIP3    H216003  -1.810   1.566  -4.044
+ 3232TIP3   OH216004  -0.856   1.699  -2.810
+ 3232TIP3    H116005  -0.951   1.713  -2.829
+ 3232TIP3    H216006  -0.827   1.676  -2.899
+ 3233TIP3   OH216007  -1.003   2.081  -3.410
+ 3233TIP3    H116008  -1.086   2.037  -3.435
+ 3233TIP3    H216009  -0.956   2.009  -3.362
+ 3234TIP3   OH216010  -2.053   2.704  -4.156
+ 3234TIP3    H116011  -1.973   2.737  -4.112
+ 3234TIP3    H216012  -2.012   2.654  -4.229
+ 3235TIP3   OH216013  -2.227   1.923  -4.253
+ 3235TIP3    H116014  -2.213   2.018  -4.238
+ 3235TIP3    H216015  -2.316   1.922  -4.292
+ 3236TIP3   OH216016  -0.898   2.964  -3.270
+ 3236TIP3    H116017  -0.923   3.044  -3.320
+ 3236TIP3    H216018  -0.807   2.987  -3.246
+ 3237TIP3   OH216019  -2.141   1.419  -3.371
+ 3237TIP3    H116020  -2.158   1.416  -3.467
+ 3237TIP3    H216021  -2.174   1.332  -3.341
+ 3238TIP3   OH216022  -2.253   2.772  -3.747
+ 3238TIP3    H116023  -2.328   2.829  -3.725
+ 3238TIP3    H216024  -2.209   2.822  -3.817
+ 3239TIP3   OH216025  -2.311   3.058  -2.628
+ 3239TIP3    H116026  -2.253   3.031  -2.554
+ 3239TIP3    H216027  -2.350   2.973  -2.656
+ 3240TIP3   OH216028  -1.852   2.969  -2.453
+ 3240TIP3    H116029  -1.777   2.915  -2.426
+ 3240TIP3    H216030  -1.864   2.940  -2.545
+ 3241TIP3   OH216031  -1.418   2.905  -4.339
+ 3241TIP3    H116032  -1.499   2.854  -4.319
+ 3241TIP3    H216033  -1.355   2.832  -4.352
+ 3242TIP3   OH216034  -1.187   2.786  -2.598
+ 3242TIP3    H116035  -1.230   2.709  -2.557
+ 3242TIP3    H216036  -1.125   2.816  -2.529
+ 3243TIP3   OH216037  -1.013   2.851  -4.293
+ 3243TIP3    H116038  -0.980   2.789  -4.227
+ 3243TIP3    H216039  -0.939   2.914  -4.308
+ 3244TIP3   OH216040  -2.318   2.419  -2.514
+ 3244TIP3    H116041  -2.305   2.332  -2.554
+ 3244TIP3    H216042  -2.392   2.453  -2.568
+ 3245TIP3   OH216043  -1.888   2.480  -4.307
+ 3245TIP3    H116044  -1.875   2.412  -4.241
+ 3245TIP3    H216045  -1.818   2.463  -4.371
+ 3246TIP3   OH216046  -1.653   2.439  -2.582
+ 3246TIP3    H116047  -1.683   2.476  -2.667
+ 3246TIP3    H216048  -1.648   2.343  -2.600
+ 3247TIP3   OH216049  -1.359   2.582  -4.348
+ 3247TIP3    H116050  -1.347   2.595  -4.252
+ 3247TIP3    H216051  -1.296   2.510  -4.366
+ 3248TIP3   OH216052  -1.116   2.403  -2.843
+ 3248TIP3    H116053  -1.038   2.458  -2.862
+ 3248TIP3    H216054  -1.186   2.470  -2.844
+ 3249TIP3   OH216055  -2.230   2.133  -2.600
+ 3249TIP3    H116056  -2.160   2.066  -2.597
+ 3249TIP3    H216057  -2.234   2.158  -2.506
+ 3250TIP3   OH216058  -1.788   2.272  -4.091
+ 3250TIP3    H116059  -1.849   2.226  -4.031
+ 3250TIP3    H216060  -1.752   2.198  -4.144
+ 3251TIP3   OH216061  -1.866   2.049  -2.855
+ 3251TIP3    H116062  -1.920   2.129  -2.838
+ 3251TIP3    H216063  -1.800   2.083  -2.918
+ 3252TIP3   OH216064  -1.668   2.082  -4.274
+ 3252TIP3    H116065  -1.665   2.058  -4.367
+ 3252TIP3    H216066  -1.572   2.080  -4.251
+ 3253TIP3   OH216067  -1.334   2.319  -2.499
+ 3253TIP3    H116068  -1.244   2.302  -2.531
+ 3253TIP3    H216069  -1.357   2.234  -2.460
+ 3254TIP3   OH216070  -1.804   1.781  -2.747
+ 3254TIP3    H116071  -1.798   1.713  -2.817
+ 3254TIP3    H216072  -1.824   1.861  -2.799
+ 3255TIP3   OH216073  -1.769   1.620  -2.995
+ 3255TIP3    H116074  -1.717   1.670  -3.061
+ 3255TIP3    H216075  -1.860   1.622  -3.033
+ 3256TIP3   OH216076  -1.615   2.169  -2.955
+ 3256TIP3    H116077  -1.532   2.163  -3.005
+ 3256TIP3    H216078  -1.648   2.256  -2.986
+ 3257TIP3   OH216079  -1.160   1.962  -2.478
+ 3257TIP3    H116080  -1.133   1.870  -2.465
+ 3257TIP3    H216081  -1.073   2.006  -2.484
+ 3258TIP3   OH216082  -1.061   2.241  -2.630
+ 3258TIP3    H116083  -1.097   2.303  -2.697
+ 3258TIP3    H216084  -0.972   2.227  -2.667
+ 3259TIP3   OH216085  -1.975   1.953  -2.553
+ 3259TIP3    H116086  -2.034   1.877  -2.562
+ 3259TIP3    H216087  -1.902   1.929  -2.612
+ 3260TIP3   OH216088  -1.694   1.353  -2.924
+ 3260TIP3    H116089  -1.721   1.446  -2.939
+ 3260TIP3    H216090  -1.761   1.305  -2.977
+ 3261TIP3   OH216091  -1.572   1.809  -2.584
+ 3261TIP3    H116092  -1.610   1.783  -2.498
+ 3261TIP3    H216093  -1.651   1.796  -2.641
+ 3262TIP3   OH216094  -1.323   1.715  -2.699
+ 3262TIP3    H116095  -1.408   1.730  -2.654
+ 3262TIP3    H216096  -1.273   1.662  -2.633
+ 3263TIP3   OH216097  -1.149   1.572  -2.524
+ 3263TIP3    H116098  -1.137   1.477  -2.504
+ 3263TIP3    H216099  -1.153   1.614  -2.436
+ 3264TIP3   OH216100  -2.122   1.710  -2.581
+ 3264TIP3    H116101  -2.126   1.638  -2.646
+ 3264TIP3    H216102  -2.141   1.662  -2.498
+ 3265TIP3   OH216103  -1.706   3.187  -4.179
+ 3265TIP3    H116104  -1.617   3.209  -4.147
+ 3265TIP3    H216105  -1.727   3.260  -4.239
+ 3266TIP3   OH216106  -2.323   2.603  -4.196
+ 3266TIP3    H116107  -2.233   2.640  -4.197
+ 3266TIP3    H216108  -2.326   2.550  -4.277
+ 3267TIP3   OH216109  -2.422   3.155  -3.720
+ 3267TIP3    H116110  -2.494   3.118  -3.775
+ 3267TIP3    H216111  -2.413   3.088  -3.650
+ 3268TIP3   OH216112  -2.386   2.960  -3.519
+ 3268TIP3    H116113  -2.412   2.872  -3.488
+ 3268TIP3    H216114  -2.346   2.994  -3.438
+ 3269TIP3   OH216115  -0.628   3.080  -3.220
+ 3269TIP3    H116116  -0.615   3.084  -3.124
+ 3269TIP3    H216117  -0.544   3.116  -3.251
+ 3270TIP3   OH216118  -0.640   3.029  -2.932
+ 3270TIP3    H116119  -0.692   2.955  -2.967
+ 3270TIP3    H216120  -0.584   2.982  -2.868
+ 3271TIP3   OH216121  -0.840   2.570  -2.501
+ 3271TIP3    H116122  -0.929   2.581  -2.465
+ 3271TIP3    H216123  -0.796   2.652  -2.473
+ 3272TIP3   OH216124  -0.692   2.453  -3.933
+ 3272TIP3    H116125  -0.605   2.486  -3.903
+ 3272TIP3    H216126  -0.712   2.391  -3.861
+ 3273TIP3   OH216127  -0.651   2.254  -3.731
+ 3273TIP3    H116128  -0.722   2.201  -3.688
+ 3273TIP3    H216129  -0.587   2.268  -3.659
+ 3274TIP3   OH216130  -0.679   2.505  -3.232
+ 3274TIP3    H116131  -0.616   2.463  -3.292
+ 3274TIP3    H216132  -0.674   2.598  -3.261
+ 3275TIP3   OH216133  -0.811   2.797  -3.008
+ 3275TIP3    H116134  -0.883   2.842  -2.960
+ 3275TIP3    H216135  -0.857   2.765  -3.088
+ 3276TIP3   OH216136  -0.621   2.228  -4.108
+ 3276TIP3    H116137  -0.693   2.241  -4.172
+ 3276TIP3    H216138  -0.650   2.289  -4.037
+ 3277TIP3   OH216139  -0.801   1.964  -4.214
+ 3277TIP3    H116140  -0.777   2.032  -4.279
+ 3277TIP3    H216141  -0.771   1.884  -4.259
+ 3278TIP3   OH216142  -0.859   2.072  -3.650
+ 3278TIP3    H116143  -0.868   1.977  -3.667
+ 3278TIP3    H216144  -0.899   2.080  -3.561
+ 3279TIP3   OH216145  -2.377   2.290  -3.280
+ 3279TIP3    H116146  -2.352   2.299  -3.373
+ 3279TIP3    H216147  -2.289   2.272  -3.240
+ 3280TIP3   OH216148  -0.801   2.263  -2.737
+ 3280TIP3    H116149  -0.726   2.204  -2.717
+ 3280TIP3    H216150  -0.757   2.347  -2.755
+ 3281TIP3   OH216151  -0.644   2.074  -2.615
+ 3281TIP3    H116152  -0.724   2.021  -2.637
+ 3281TIP3    H216153  -0.575   2.006  -2.617
+ 3282TIP3   OH216154  -0.895   1.655  -4.333
+ 3282TIP3    H116155  -0.821   1.605  -4.295
+ 3282TIP3    H216156  -0.974   1.609  -4.300
+ 3283TIP3   OH216157  -0.881   1.825  -3.836
+ 3283TIP3    H116158  -0.856   1.730  -3.829
+ 3283TIP3    H216159  -0.799   1.861  -3.873
+ 3284TIP3   OH216160  -0.851   1.881  -3.288
+ 3284TIP3    H116161  -0.754   1.892  -3.290
+ 3284TIP3    H216162  -0.866   1.884  -3.192
+ 3285TIP3   OH216163  -0.835   1.952  -3.006
+ 3285TIP3    H116164  -0.921   1.991  -2.980
+ 3285TIP3    H216165  -0.783   2.032  -3.027
+ 3286TIP3   OH216166  -2.385   1.827  -2.640
+ 3286TIP3    H116167  -2.291   1.801  -2.636
+ 3286TIP3    H216168  -2.430   1.741  -2.633
+ 3287TIP3   OH216169  -0.583   1.364  -2.477
+ 3287TIP3    H116170  -0.537   1.295  -2.529
+ 3287TIP3    H216171  -0.576   1.442  -2.535
+ 3288TIP3   OH216172  -0.832   1.549  -3.830
+ 3288TIP3    H116173  -0.817   1.510  -3.742
+ 3288TIP3    H216174  -0.906   1.494  -3.863
+ 3289TIP3   OH216175  -2.309   1.661  -3.358
+ 3289TIP3    H116176  -2.261   1.576  -3.352
+ 3289TIP3    H216177  -2.240   1.722  -3.325
+ 3290TIP3   OH216178  -2.454   1.929  -3.255
+ 3290TIP3    H116179  -2.396   1.925  -3.333
+ 3290TIP3    H216180  -2.417   2.006  -3.210
+ 3291TIP3   OH216181  -0.640   1.572  -2.652
+ 3291TIP3    H116182  -0.728   1.613  -2.649
+ 3291TIP3    H216183  -0.651   1.516  -2.731
+ 3292TIP3   OH216184  -0.617   1.577  -4.158
+ 3292TIP3    H116185  -0.613   1.532  -4.246
+ 3292TIP3    H216186  -0.540   1.635  -4.171
+ 3293TIP3   OH216187  -2.403   1.564  -3.852
+ 3293TIP3    H116188  -2.499   1.566  -3.871
+ 3293TIP3    H216189  -2.366   1.624  -3.920
+ 3294TIP3   OH216190  -0.944   3.083  -3.645
+ 3294TIP3    H116191  -0.888   3.057  -3.720
+ 3294TIP3    H216192  -0.880   3.126  -3.586
+ 3295TIP3   OH216193  -2.399   1.454  -3.031
+ 3295TIP3    H116194  -2.471   1.421  -2.975
+ 3295TIP3    H216195  -2.449   1.503  -3.099
+ 3296TIP3   OH216196  -2.202   2.748  -2.565
+ 3296TIP3    H116197  -2.273   2.758  -2.630
+ 3296TIP3    H216198  -2.248   2.766  -2.481
+ 3297TIP3   OH216199  -1.918   2.860  -2.999
+ 3297TIP3    H116200  -1.947   2.945  -3.036
+ 3297TIP3    H216201  -1.822   2.868  -3.017
+ 3298TIP3   OH216202  -1.464   2.987  -2.706
+ 3298TIP3    H116203  -1.455   2.976  -2.610
+ 3298TIP3    H216204  -1.382   3.036  -2.728
+ 3299TIP3   OH216205  -1.235   3.138  -2.775
+ 3299TIP3    H116206  -1.168   3.071  -2.796
+ 3299TIP3    H216207  -1.206   3.167  -2.686
+ 3300TIP3   OH216208  -0.756   1.393  -2.853
+ 3300TIP3    H116209  -0.834   1.413  -2.908
+ 3300TIP3    H216210  -0.731   1.304  -2.887
+ 3301TIP3   OH216211  -2.183   3.151  -2.965
+ 3301TIP3    H116212  -2.239   3.217  -3.011
+ 3301TIP3    H216213  -2.213   3.162  -2.874
+ 3302TIP3   OH216214  -1.931   3.130  -3.110
+ 3302TIP3    H116215  -2.016   3.153  -3.067
+ 3302TIP3    H216216  -1.924   3.198  -3.179
+ 3303TIP3   OH216217  -1.458   3.128  -3.152
+ 3303TIP3    H116218  -1.496   3.170  -3.232
+ 3303TIP3    H216219  -1.449   3.206  -3.094
+ 3304TIP3   OH216220  -1.224   3.002  -3.061
+ 3304TIP3    H116221  -1.308   3.037  -3.096
+ 3304TIP3    H216222  -1.168   3.081  -3.067
+ 3305TIP3   OH216223  -0.966   3.175  -3.044
+ 3305TIP3    H116224  -0.974   3.270  -3.064
+ 3305TIP3    H216225  -0.942   3.141  -3.132
+ 3306TIP3   OH216226  -2.225   3.033  -3.272
+ 3306TIP3    H116227  -2.224   2.986  -3.186
+ 3306TIP3    H216228  -2.147   2.992  -3.316
+ 3307TIP3   OH216229  -2.021   2.912  -3.422
+ 3307TIP3    H116230  -2.032   2.818  -3.400
+ 3307TIP3    H216231  -1.928   2.928  -3.395
+ 3308TIP3   OH216232  -1.753   2.957  -3.336
+ 3308TIP3    H116233  -1.719   2.873  -3.370
+ 3308TIP3    H216234  -1.737   2.948  -3.241
+ 3309TIP3   OH216235  -1.410   1.543  -3.407
+ 3309TIP3    H116236  -1.481   1.476  -3.395
+ 3309TIP3    H216237  -1.351   1.499  -3.470
+ 3310TIP3   OH216238  -0.916   1.350  -3.361
+ 3310TIP3    H116239  -0.840   1.391  -3.405
+ 3310TIP3    H216240  -0.990   1.376  -3.419
+ 3311TIP3   OH216241  -0.709   1.457  -3.575
+ 3311TIP3    H116242  -0.638   1.413  -3.626
+ 3311TIP3    H216243  -0.676   1.549  -3.569
+ 3312TIP3   OH216244  -2.175   1.416  -3.652
+ 3312TIP3    H116245  -2.261   1.404  -3.697
+ 3312TIP3    H216246  -2.134   1.329  -3.668
+ 3313TIP3   OH216247  -2.298   1.372  -4.080
+ 3313TIP3    H116248  -2.238   1.434  -4.127
+ 3313TIP3    H216249  -2.330   1.427  -4.008
+ 3314TIP3   OH216250  -1.729   1.398  -3.666
+ 3314TIP3    H116251  -1.638   1.429  -3.680
+ 3314TIP3    H216252  -1.732   1.390  -3.570
+ 3315TIP3   OH216253  -1.167   1.403  -3.524
+ 3315TIP3    H116254  -1.144   1.389  -3.616
+ 3315TIP3    H216255  -1.207   1.317  -3.500
+ 3316TIP3   OH216256  -1.064   1.400  -3.921
+ 3316TIP3    H116257  -1.144   1.446  -3.952
+ 3316TIP3    H216258  -1.097   1.308  -3.915
+ 3317TIP3   OH216259  -2.290   2.961  -3.966
+ 3317TIP3    H116260  -2.362   2.961  -4.032
+ 3317TIP3    H216261  -2.287   3.054  -3.941
+ 3318TIP3   OH216262  -2.128   1.541  -4.228
+ 3318TIP3    H116263  -2.072   1.484  -4.282
+ 3318TIP3    H216264  -2.062   1.593  -4.179
+ 3319TIP3   OH216265  -1.618   1.561  -3.959
+ 3319TIP3    H116266  -1.578   1.508  -3.889
+ 3319TIP3    H216267  -1.594   1.650  -3.928
+ 3320TIP3   OH216268  -1.412   3.133  -4.140
+ 3320TIP3    H116269  -1.315   3.143  -4.143
+ 3320TIP3    H216270  -1.426   3.065  -4.208
+ 3321TIP3   OH216271  -0.747   3.043  -3.886
+ 3321TIP3    H116272  -0.782   2.962  -3.928
+ 3321TIP3    H216273  -0.774   3.112  -3.950
+ 3322TIP3   OH216274  -2.197   1.439  -2.700
+ 3322TIP3    H116275  -2.237   1.357  -2.665
+ 3322TIP3    H216276  -2.104   1.426  -2.675
+ 3323TIP3   OH216277  -1.958   1.373  -2.530
+ 3323TIP3    H116278  -1.879   1.328  -2.562
+ 3323TIP3    H216279  -2.003   1.301  -2.484
+ 3324TIP3   OH216280  -2.091   3.066  -4.232
+ 3324TIP3    H116281  -2.127   3.095  -4.147
+ 3324TIP3    H216282  -2.020   3.006  -4.206
+ 3325TIP3   OH216283  -1.156   1.289  -2.505
+ 3325TIP3    H116284  -1.140   1.248  -2.417
+ 3325TIP3    H216285  -1.065   1.287  -2.541
+ 3326TIP3   OH216286  -0.808   2.922  -2.641
+ 3326TIP3    H116287  -0.882   2.904  -2.702
+ 3326TIP3    H216288  -0.826   3.016  -2.620
+ 3327TIP3   OH216289   0.609   2.289  -3.626
+ 3327TIP3    H116290   0.610   2.385  -3.615
+ 3327TIP3    H216291   0.536   2.278  -3.688
+ 3328TIP3   OH216292   0.497   2.231  -3.317
+ 3328TIP3    H116293   0.494   2.175  -3.239
+ 3328TIP3    H216294   0.472   2.169  -3.387
+ 3329TIP3   OH216295  -0.185   2.179  -3.156
+ 3329TIP3    H116296  -0.234   2.114  -3.100
+ 3329TIP3    H216297  -0.189   2.257  -3.098
+ 3330TIP3   OH216298   0.864   2.508  -3.488
+ 3330TIP3    H116299   0.827   2.437  -3.433
+ 3330TIP3    H216300   0.893   2.571  -3.421
+ 3331TIP3   OH216301  -0.188   2.656  -3.302
+ 3331TIP3    H116302  -0.209   2.563  -3.326
+ 3331TIP3    H216303  -0.094   2.647  -3.279
+ 3332TIP3   OH216304  -0.491   2.003  -3.762
+ 3332TIP3    H116305  -0.540   2.086  -3.754
+ 3332TIP3    H216306  -0.556   1.945  -3.804
+ 3333TIP3   OH216307  -0.405   2.243  -3.569
+ 3333TIP3    H116308  -0.394   2.155  -3.528
+ 3333TIP3    H216309  -0.325   2.248  -3.624
+ 3334TIP3   OH216310   0.568   3.043  -3.433
+ 3334TIP3    H116311   0.629   2.973  -3.464
+ 3334TIP3    H216312   0.543   3.010  -3.345
+ 3335TIP3   OH216313   0.344   2.482  -3.262
+ 3335TIP3    H116314   0.380   2.413  -3.320
+ 3335TIP3    H216315   0.425   2.502  -3.212
+ 3336TIP3   OH216316   1.212   1.637  -3.198
+ 3336TIP3    H116317   1.238   1.699  -3.128
+ 3336TIP3    H216318   1.273   1.664  -3.269
+ 3337TIP3   OH216319   0.674   1.918  -3.212
+ 3337TIP3    H116320   0.692   1.823  -3.208
+ 3337TIP3    H216321   0.668   1.931  -3.308
+ 3338TIP3   OH216322  -0.034   1.725  -3.500
+ 3338TIP3    H116323  -0.016   1.806  -3.553
+ 3338TIP3    H216324  -0.068   1.667  -3.571
+ 3339TIP3   OH216325   0.755   1.736  -3.674
+ 3339TIP3    H116326   0.813   1.693  -3.607
+ 3339TIP3    H216327   0.822   1.779  -3.730
+ 3340TIP3   OH216328  -0.350   1.992  -3.453
+ 3340TIP3    H116329  -0.296   1.937  -3.395
+ 3340TIP3    H216330  -0.346   1.942  -3.536
+ 3341TIP3   OH216331   0.145   2.118  -3.461
+ 3341TIP3    H116332   0.231   2.076  -3.440
+ 3341TIP3    H216333   0.113   2.062  -3.534
+ 3342TIP3   OH216334   1.284   1.775  -2.951
+ 3342TIP3    H116335   1.225   1.848  -2.979
+ 3342TIP3    H216336   1.266   1.773  -2.856
+ 3343TIP3   OH216337  -0.152   1.593  -3.092
+ 3343TIP3    H116338  -0.183   1.658  -3.157
+ 3343TIP3    H216339  -0.215   1.607  -3.019
+ 3344TIP3   OH216340   0.600   2.574  -3.750
+ 3344TIP3    H116341   0.570   2.554  -3.839
+ 3344TIP3    H216342   0.557   2.659  -3.731
+ 3345TIP3   OH216343   0.111   2.360  -3.112
+ 3345TIP3    H116344   0.052   2.429  -3.075
+ 3345TIP3    H216345   0.184   2.413  -3.148
+ 3346TIP3   OH216346   0.937   1.662  -3.469
+ 3346TIP3    H116347   0.904   1.598  -3.405
+ 3346TIP3    H216348   0.990   1.721  -3.412
+ 3347TIP3   OH216349  -0.155   1.818  -3.274
+ 3347TIP3    H116350  -0.097   1.894  -3.263
+ 3347TIP3    H216351  -0.113   1.774  -3.352
+ 3348TIP3   OH216352  -0.052   2.568  -3.006
+ 3348TIP3    H116353  -0.053   2.661  -3.034
+ 3348TIP3    H216354  -0.138   2.564  -2.959
+ 3349TIP3   OH216355  -0.423   2.560  -3.932
+ 3349TIP3    H116356  -0.479   2.622  -3.979
+ 3349TIP3    H216357  -0.397   2.616  -3.855
+ 3350TIP3   OH216358   0.920   2.689  -3.239
+ 3350TIP3    H116359   0.823   2.702  -3.237
+ 3350TIP3    H216360   0.948   2.775  -3.275
+ 3351TIP3   OH216361   0.954   1.574  -3.086
+ 3351TIP3    H116362   0.875   1.613  -3.129
+ 3351TIP3    H216363   1.025   1.595  -3.150
+ 3352TIP3   OH216364   0.266   1.348  -3.381
+ 3352TIP3    H116365   0.244   1.253  -3.386
+ 3352TIP3    H216366   0.183   1.386  -3.343
+ 3353TIP3   OH216367   0.750   2.883  -3.583
+ 3353TIP3    H116368   0.799   2.805  -3.614
+ 3353TIP3    H216369   0.818   2.953  -3.592
+ 3354TIP3   OH216370   0.896   2.670  -3.721
+ 3354TIP3    H116371   0.844   2.623  -3.788
+ 3354TIP3    H216372   0.891   2.607  -3.646
+ 3355TIP3   OH216373   1.049   2.553  -2.871
+ 3355TIP3    H116374   1.040   2.487  -2.942
+ 3355TIP3    H216375   1.062   2.635  -2.921
+ 3356TIP3   OH216376   0.478   2.242  -3.905
+ 3356TIP3    H116377   0.412   2.303  -3.943
+ 3356TIP3    H216378   0.551   2.250  -3.968
+ 3357TIP3   OH216379   0.496   2.064  -4.205
+ 3357TIP3    H116380   0.566   2.096  -4.145
+ 3357TIP3    H216381   0.550   2.003  -4.261
+ 3358TIP3   OH216382   1.226   2.168  -3.077
+ 3358TIP3    H116383   1.154   2.233  -3.067
+ 3358TIP3    H216384   1.273   2.204  -3.155
+ 3359TIP3   OH216385   0.827   2.242  -3.794
+ 3359TIP3    H116386   0.759   2.263  -3.726
+ 3359TIP3    H216387   0.887   2.185  -3.742
+ 3360TIP3   OH216388   0.810   2.098  -2.907
+ 3360TIP3    H116389   0.818   2.180  -2.856
+ 3360TIP3    H216390   0.745   2.127  -2.973
+ 3361TIP3   OH216391  -0.016   2.319  -3.617
+ 3361TIP3    H116392  -0.043   2.273  -3.699
+ 3361TIP3    H216393   0.044   2.256  -3.576
+ 3362TIP3   OH216394   0.122   2.659  -3.341
+ 3362TIP3    H116395   0.115   2.620  -3.429
+ 3362TIP3    H216396   0.201   2.615  -3.306
+ 3363TIP3   OH216397   0.640   2.752  -3.209
+ 3363TIP3    H116398   0.642   2.820  -3.139
+ 3363TIP3    H216399   0.618   2.670  -3.161
+ 3364TIP3   OH216400   0.129   2.636  -2.784
+ 3364TIP3    H116401   0.077   2.702  -2.736
+ 3364TIP3    H216402   0.065   2.608  -2.853
+ 3365TIP3   OH216403   0.734   2.189  -4.057
+ 3365TIP3    H116404   0.777   2.214  -3.972
+ 3365TIP3    H216405   0.795   2.231  -4.121
+ 3366TIP3   OH216406  -0.194   2.291  -2.891
+ 3366TIP3    H116407  -0.171   2.329  -2.805
+ 3366TIP3    H216408  -0.284   2.257  -2.874
+ 3367TIP3   OH216409   0.466   2.847  -3.694
+ 3367TIP3    H116410   0.518   2.874  -3.618
+ 3367TIP3    H216411   0.421   2.929  -3.720
+ 3368TIP3   OH216412  -0.060   2.851  -2.702
+ 3368TIP3    H116413  -0.072   2.855  -2.799
+ 3368TIP3    H216414  -0.148   2.824  -2.670
+ 3369TIP3   OH216415   1.061   1.345  -4.057
+ 3369TIP3    H116416   0.973   1.373  -4.024
+ 3369TIP3    H216417   1.087   1.420  -4.113
+ 3370TIP3   OH216418  -0.122   2.192  -3.859
+ 3370TIP3    H116419  -0.142   2.266  -3.919
+ 3370TIP3    H216420  -0.185   2.125  -3.885
+ 3371TIP3   OH216421   1.180   2.786  -4.249
+ 3371TIP3    H116422   1.212   2.867  -4.207
+ 3371TIP3    H216423   1.256   2.725  -4.242
+ 3372TIP3   OH216424  -0.513   2.461  -2.991
+ 3372TIP3    H116425  -0.563   2.461  -3.075
+ 3372TIP3    H216426  -0.505   2.366  -2.971
+ 3373TIP3   OH216427  -0.508   2.753  -3.298
+ 3373TIP3    H116428  -0.415   2.727  -3.288
+ 3373TIP3    H216429  -0.519   2.815  -3.224
+ 3374TIP3   OH216430   1.329   2.815  -2.720
+ 3374TIP3    H116431   1.318   2.719  -2.737
+ 3374TIP3    H216432   1.238   2.838  -2.690
+ 3375TIP3   OH216433   0.395   2.737  -2.839
+ 3375TIP3    H116434   0.401   2.820  -2.787
+ 3375TIP3    H216435   0.304   2.708  -2.818
+ 3376TIP3   OH216436   0.425   3.116  -3.848
+ 3376TIP3    H116437   0.426   3.130  -3.944
+ 3376TIP3    H216438   0.427   3.207  -3.813
+ 3377TIP3   OH216439  -0.198   3.026  -3.684
+ 3377TIP3    H116440  -0.180   2.987  -3.596
+ 3377TIP3    H216441  -0.290   2.999  -3.697
+ 3378TIP3   OH216442   0.748   3.078  -4.140
+ 3378TIP3    H116443   0.793   3.020  -4.204
+ 3378TIP3    H216444   0.752   3.024  -4.059
+ 3379TIP3   OH216445   0.696   3.004  -3.863
+ 3379TIP3    H116446   0.603   3.024  -3.841
+ 3379TIP3    H216447   0.718   2.939  -3.795
+ 3380TIP3   OH216448   1.013   1.950  -2.681
+ 3380TIP3    H116449   0.953   1.990  -2.745
+ 3380TIP3    H216450   1.013   1.856  -2.707
+ 3381TIP3   OH216451  -0.292   2.616  -2.867
+ 3381TIP3    H116452  -0.266   2.569  -2.785
+ 3381TIP3    H216453  -0.366   2.561  -2.899
+ 3382TIP3   OH216454   0.024   1.466  -3.291
+ 3382TIP3    H116455  -0.058   1.456  -3.342
+ 3382TIP3    H216456  -0.004   1.533  -3.226
+ 3383TIP3   OH216457   0.488   1.389  -2.900
+ 3383TIP3    H116458   0.494   1.332  -2.822
+ 3383TIP3    H216459   0.391   1.395  -2.910
+ 3384TIP3   OH216460   0.775   1.799  -2.865
+ 3384TIP3    H116461   0.713   1.783  -2.791
+ 3384TIP3    H216462   0.766   1.894  -2.882
+ 3385TIP3   OH216463   0.959   2.268  -4.251
+ 3385TIP3    H116464   0.910   2.252  -4.333
+ 3385TIP3    H216465   0.989   2.358  -4.267
+ 3386TIP3   OH216466   0.444   1.658  -4.215
+ 3386TIP3    H116467   0.387   1.662  -4.137
+ 3386TIP3    H216468   0.398   1.592  -4.268
+ 3387TIP3   OH216469   0.007   1.953  -3.659
+ 3387TIP3    H116470  -0.088   1.943  -3.678
+ 3387TIP3    H216471   0.045   1.932  -3.747
+ 3388TIP3   OH216472   0.571   2.004  -3.786
+ 3388TIP3    H116473   0.531   2.086  -3.820
+ 3388TIP3    H216474   0.636   1.984  -3.856
+ 3389TIP3   OH216475   0.649   1.944  -3.505
+ 3389TIP3    H116476   0.622   2.002  -3.579
+ 3389TIP3    H216477   0.672   1.863  -3.556
+ 3390TIP3   OH216478  -0.268   1.962  -2.973
+ 3390TIP3    H116479  -0.212   1.985  -2.898
+ 3390TIP3    H216480  -0.288   1.869  -2.954
+ 3391TIP3   OH216481   0.120   1.703  -4.311
+ 3391TIP3    H116482   0.079   1.671  -4.229
+ 3391TIP3    H216483   0.043   1.745  -4.355
+ 3392TIP3   OH216484  -0.568   1.709  -3.596
+ 3392TIP3    H116485  -0.502   1.700  -3.526
+ 3392TIP3    H216486  -0.526   1.668  -3.674
+ 3393TIP3   OH216487  -0.404   1.755  -4.027
+ 3393TIP3    H116488  -0.356   1.792  -4.103
+ 3393TIP3    H216489  -0.482   1.812  -4.020
+ 3394TIP3   OH216490   0.547   2.102  -3.050
+ 3394TIP3    H116491   0.599   2.036  -3.102
+ 3394TIP3    H216492   0.531   2.054  -2.968
+ 3395TIP3   OH216493   0.277   1.706  -3.559
+ 3395TIP3    H116494   0.183   1.699  -3.536
+ 3395TIP3    H216495   0.320   1.688  -3.474
+ 3396TIP3   OH216496  -0.261   1.833  -3.691
+ 3396TIP3    H116497  -0.343   1.856  -3.737
+ 3396TIP3    H216498  -0.231   1.753  -3.739
+ 3397TIP3   OH216499   0.099   1.877  -3.918
+ 3397TIP3    H116500   0.196   1.873  -3.917
+ 3397TIP3    H216501   0.078   1.927  -3.999
+ 3398TIP3   OH216502   0.714   1.625  -3.245
+ 3398TIP3    H116503   0.647   1.627  -3.173
+ 3398TIP3    H216504   0.659   1.589  -3.317
+ 3399TIP3   OH216505  -0.046   1.990  -4.161
+ 3399TIP3    H116506  -0.105   1.934  -4.214
+ 3399TIP3    H216507   0.031   2.000  -4.219
+ 3400TIP3   OH216508   1.018   3.204  -2.589
+ 3400TIP3    H116509   1.043   3.245  -2.673
+ 3400TIP3    H216510   1.092   3.231  -2.531
+ 3401TIP3   OH216511  -0.188   2.462  -2.646
+ 3401TIP3    H116512  -0.121   2.470  -2.576
+ 3401TIP3    H216513  -0.269   2.461  -2.591
+ 3402TIP3   OH216514   0.378   1.964  -3.380
+ 3402TIP3    H116515   0.455   1.920  -3.419
+ 3402TIP3    H216516   0.363   1.912  -3.298
+ 3403TIP3   OH216517  -0.083   1.605  -3.757
+ 3403TIP3    H116518  -0.142   1.528  -3.749
+ 3403TIP3    H216519  -0.004   1.565  -3.796
+ 3404TIP3   OH216520   0.254   1.857  -3.125
+ 3404TIP3    H116521   0.171   1.857  -3.078
+ 3404TIP3    H216522   0.316   1.850  -3.050
+ 3405TIP3   OH216523   0.293   2.450  -3.964
+ 3405TIP3    H116524   0.216   2.399  -3.997
+ 3405TIP3    H216525   0.274   2.455  -3.867
+ 3406TIP3   OH216526   1.016   2.363  -3.087
+ 3406TIP3    H116527   1.066   2.418  -3.152
+ 3406TIP3    H216528   0.930   2.353  -3.133
+ 3407TIP3   OH216529   0.710   1.722  -4.181
+ 3407TIP3    H116530   0.612   1.722  -4.187
+ 3407TIP3    H216531   0.730   1.801  -4.126
+ 3408TIP3   OH216532   0.446   2.444  -2.834
+ 3408TIP3    H116533   0.432   2.411  -2.744
+ 3408TIP3    H216534   0.428   2.539  -2.826
+ 3409TIP3   OH216535   0.770   1.910  -3.987
+ 3409TIP3    H116536   0.857   1.892  -3.946
+ 3409TIP3    H216537   0.785   1.996  -4.030
+ 3410TIP3   OH216538  -0.180   2.380  -3.374
+ 3410TIP3    H116539  -0.128   2.373  -3.455
+ 3410TIP3    H216540  -0.174   2.290  -3.337
+ 3411TIP3   OH216541   0.538   2.581  -4.068
+ 3411TIP3    H116542   0.509   2.670  -4.039
+ 3411TIP3    H216543   0.460   2.529  -4.043
+ 3412TIP3   OH216544  -0.467   2.211  -2.852
+ 3412TIP3    H116545  -0.450   2.167  -2.766
+ 3412TIP3    H216546  -0.529   2.151  -2.895
+ 3413TIP3   OH216547   0.231   2.175  -2.664
+ 3413TIP3    H116548   0.202   2.113  -2.731
+ 3413TIP3    H216549   0.316   2.135  -2.643
+ 3414TIP3   OH216550   0.683   2.705  -2.881
+ 3414TIP3    H116551   0.587   2.717  -2.887
+ 3414TIP3    H216552   0.701   2.732  -2.790
+ 3415TIP3   OH216553   1.241   1.920  -3.998
+ 3415TIP3    H116554   1.181   1.898  -4.071
+ 3415TIP3    H216555   1.253   2.015  -4.018
+ 3416TIP3   OH216556   1.282   2.518  -2.724
+ 3416TIP3    H116557   1.188   2.539  -2.743
+ 3416TIP3    H216558   1.315   2.499  -2.814
+ 3417TIP3   OH216559   1.064   2.774  -3.992
+ 3417TIP3    H116560   1.036   2.698  -3.940
+ 3417TIP3    H216561   1.097   2.734  -4.073
+ 3418TIP3   OH216562   0.781   2.306  -3.256
+ 3418TIP3    H116563   0.688   2.291  -3.281
+ 3418TIP3    H216564   0.826   2.235  -3.306
+ 3419TIP3   OH216565   0.044   2.714  -3.654
+ 3419TIP3    H116566   0.089   2.799  -3.664
+ 3419TIP3    H216567  -0.047   2.738  -3.675
+ 3420TIP3   OH216568  -0.356   2.236  -4.209
+ 3420TIP3    H116569  -0.291   2.267  -4.142
+ 3420TIP3    H216570  -0.438   2.223  -4.157
+ 3421TIP3   OH216571   0.228   2.482  -3.692
+ 3421TIP3    H116572   0.204   2.575  -3.677
+ 3421TIP3    H216573   0.154   2.437  -3.649
+ 3422TIP3   OH216574   0.245   2.910  -3.055
+ 3422TIP3    H116575   0.300   2.985  -3.083
+ 3422TIP3    H216576   0.307   2.861  -2.999
+ 3423TIP3   OH216577   0.090   3.004  -3.733
+ 3423TIP3    H116578  -0.005   3.020  -3.724
+ 3423TIP3    H216579   0.126   3.091  -3.707
+ 3424TIP3   OH216580   0.586   2.484  -3.099
+ 3424TIP3    H116581   0.558   2.458  -3.009
+ 3424TIP3    H216582   0.662   2.425  -3.114
+ 3425TIP3   OH216583   0.801   2.609  -4.194
+ 3425TIP3    H116584   0.850   2.566  -4.121
+ 3425TIP3    H216585   0.711   2.603  -4.158
+ 3426TIP3   OH216586   0.879   2.943  -2.859
+ 3426TIP3    H116587   0.804   2.897  -2.901
+ 3426TIP3    H216588   0.890   3.021  -2.915
+ 3427TIP3   OH216589   1.292   3.060  -4.160
+ 3427TIP3    H116590   1.361   3.128  -4.144
+ 3427TIP3    H216591   1.211   3.110  -4.134
+ 3428TIP3   OH216592  -0.335   1.679  -2.892
+ 3428TIP3    H116593  -0.426   1.705  -2.917
+ 3428TIP3    H216594  -0.349   1.593  -2.850
+ 3429TIP3   OH216595   0.900   2.473  -3.968
+ 3429TIP3    H116596   0.874   2.403  -3.906
+ 3429TIP3    H216597   0.997   2.471  -3.960
+ 3430TIP3   OH216598  -0.358   2.853  -3.051
+ 3430TIP3    H116599  -0.328   2.763  -3.031
+ 3430TIP3    H216600  -0.338   2.898  -2.967
+ 3431TIP3   OH216601   0.249   2.716  -4.325
+ 3431TIP3    H116602   0.289   2.633  -4.356
+ 3431TIP3    H216603   0.194   2.684  -4.251
+ 3432TIP3   OH216604   0.089   2.668  -4.068
+ 3432TIP3    H116605   0.151   2.617  -4.014
+ 3432TIP3    H216606   0.116   2.761  -4.050
+ 3433TIP3   OH216607  -0.210   2.412  -4.038
+ 3433TIP3    H116608  -0.275   2.461  -3.984
+ 3433TIP3    H216609  -0.152   2.486  -4.066
+ 3434TIP3   OH216610   0.544   1.670  -3.036
+ 3434TIP3    H116611   0.589   1.717  -2.965
+ 3434TIP3    H216612   0.497   1.601  -2.987
+ 3435TIP3   OH216613   0.621   1.618  -3.920
+ 3435TIP3    H116614   0.651   1.667  -3.999
+ 3435TIP3    H216615   0.673   1.659  -3.850
+ 3436TIP3   OH216616   0.401   2.830  -4.030
+ 3436TIP3    H116617   0.326   2.883  -4.000
+ 3436TIP3    H216618   0.456   2.897  -4.072
+ 3437TIP3   OH216619   0.364   1.809  -3.815
+ 3437TIP3    H116620   0.444   1.865  -3.801
+ 3437TIP3    H216621   0.336   1.791  -3.724
+ 3438TIP3   OH216622   0.430   1.510  -3.724
+ 3438TIP3    H116623   0.408   1.579  -3.658
+ 3438TIP3    H216624   0.500   1.554  -3.776
+ 3439TIP3   OH216625   0.116   2.951  -4.027
+ 3439TIP3    H116626   0.128   3.036  -4.074
+ 3439TIP3    H216627   0.109   2.979  -3.934
+ 3440TIP3   OH216628   0.000   1.619  -4.080
+ 3440TIP3    H116629  -0.006   1.687  -4.011
+ 3440TIP3    H216630   0.074   1.564  -4.046
+ 3441TIP3   OH216631   1.026   1.692  -2.816
+ 3441TIP3    H116632   0.932   1.712  -2.828
+ 3441TIP3    H216633   1.052   1.681  -2.908
+ 3442TIP3   OH216634   0.882   2.082  -3.408
+ 3442TIP3    H116635   0.800   2.036  -3.436
+ 3442TIP3    H216636   0.930   2.010  -3.361
+ 3443TIP3   OH216637  -0.195   2.681  -4.160
+ 3443TIP3    H116638  -0.125   2.728  -4.112
+ 3443TIP3    H216639  -0.143   2.647  -4.235
+ 3444TIP3   OH216640  -0.330   1.928  -4.265
+ 3444TIP3    H116641  -0.329   2.021  -4.239
+ 3444TIP3    H216642  -0.422   1.914  -4.294
+ 3445TIP3   OH216643   0.984   2.967  -3.269
+ 3445TIP3    H116644   0.966   3.048  -3.321
+ 3445TIP3    H216645   1.077   2.982  -3.245
+ 3446TIP3   OH216646  -0.257   1.420  -3.371
+ 3446TIP3    H116647  -0.274   1.417  -3.467
+ 3446TIP3    H216648  -0.290   1.334  -3.340
+ 3447TIP3   OH216649  -0.375   2.761  -3.751
+ 3447TIP3    H116650  -0.444   2.820  -3.717
+ 3447TIP3    H216651  -0.324   2.820  -3.808
+ 3448TIP3   OH216652  -0.424   3.058  -2.630
+ 3448TIP3    H116653  -0.368   3.031  -2.554
+ 3448TIP3    H216654  -0.465   2.973  -2.656
+ 3449TIP3   OH216655   0.041   2.958  -2.442
+ 3449TIP3    H116656   0.115   2.896  -2.432
+ 3449TIP3    H216657   0.018   2.942  -2.535
+ 3450TIP3   OH216658   0.465   2.901  -4.334
+ 3450TIP3    H116659   0.386   2.844  -4.324
+ 3450TIP3    H216660   0.532   2.833  -4.352
+ 3451TIP3   OH216661   0.689   2.793  -2.590
+ 3451TIP3    H116662   0.653   2.709  -2.554
+ 3451TIP3    H216663   0.761   2.812  -2.527
+ 3452TIP3   OH216664   0.851   2.869  -4.291
+ 3452TIP3    H116665   0.880   2.790  -4.241
+ 3452TIP3    H216666   0.935   2.913  -4.316
+ 3453TIP3   OH216667  -0.431   2.421  -2.515
+ 3453TIP3    H116668  -0.420   2.331  -2.550
+ 3453TIP3    H216669  -0.507   2.453  -2.568
+ 3454TIP3   OH216670  -0.006   2.481  -4.303
+ 3454TIP3    H116671   0.011   2.407  -4.243
+ 3454TIP3    H216672   0.057   2.465  -4.375
+ 3455TIP3   OH216673   0.236   2.453  -2.578
+ 3455TIP3    H116674   0.205   2.481  -2.666
+ 3455TIP3    H216675   0.251   2.358  -2.590
+ 3456TIP3   OH216676   0.526   2.582  -4.347
+ 3456TIP3    H116677   0.543   2.593  -4.252
+ 3456TIP3    H216678   0.591   2.514  -4.372
+ 3457TIP3   OH216679   0.769   2.402  -2.845
+ 3457TIP3    H116680   0.850   2.453  -2.861
+ 3457TIP3    H216681   0.702   2.472  -2.844
+ 3458TIP3   OH216682  -0.339   2.133  -2.602
+ 3458TIP3    H116683  -0.273   2.063  -2.602
+ 3458TIP3    H216684  -0.343   2.155  -2.507
+ 3459TIP3   OH216685   0.097   2.272  -4.089
+ 3459TIP3    H116686   0.041   2.220  -4.030
+ 3459TIP3    H216687   0.135   2.202  -4.146
+ 3460TIP3   OH216688   0.014   2.068  -2.909
+ 3460TIP3    H116689  -0.019   2.092  -2.821
+ 3460TIP3    H216690   0.111   2.069  -2.895
+ 3461TIP3   OH216691   0.218   2.088  -4.277
+ 3461TIP3    H116692   0.222   2.055  -4.368
+ 3461TIP3    H216693   0.313   2.082  -4.252
+ 3462TIP3   OH216694   0.534   2.295  -2.521
+ 3462TIP3    H116695   0.629   2.285  -2.539
+ 3462TIP3    H216696   0.523   2.228  -2.451
+ 3463TIP3   OH216697   0.096   1.612  -2.982
+ 3463TIP3    H116698   0.153   1.680  -3.019
+ 3463TIP3    H216699   0.009   1.624  -3.023
+ 3464TIP3   OH216700   0.262   2.158  -2.991
+ 3464TIP3    H116701   0.358   2.149  -3.003
+ 3464TIP3    H216702   0.253   2.254  -2.980
+ 3465TIP3   OH216703   0.717   1.969  -2.483
+ 3465TIP3    H116704   0.732   1.874  -2.474
+ 3465TIP3    H216705   0.805   2.006  -2.475
+ 3466TIP3   OH216706   0.830   2.249  -2.622
+ 3466TIP3    H116707   0.795   2.307  -2.691
+ 3466TIP3    H216708   0.917   2.227  -2.660
+ 3467TIP3   OH216709  -0.076   1.949  -2.599
+ 3467TIP3    H116710  -0.130   1.870  -2.584
+ 3467TIP3    H216711   0.009   1.911  -2.626
+ 3468TIP3   OH216712   0.203   1.371  -2.964
+ 3468TIP3    H116713   0.169   1.464  -2.963
+ 3468TIP3    H216714   0.131   1.328  -3.013
+ 3469TIP3   OH216715   0.585   1.709  -2.668
+ 3469TIP3    H116716   0.495   1.746  -2.676
+ 3469TIP3    H216717   0.573   1.645  -2.597
+ 3470TIP3   OH216718   0.758   1.470  -2.506
+ 3470TIP3    H116719   0.713   1.434  -2.429
+ 3470TIP3    H216720   0.752   1.565  -2.486
+ 3471TIP3   OH216721  -0.228   1.706  -2.580
+ 3471TIP3    H116722  -0.241   1.634  -2.645
+ 3471TIP3    H216723  -0.252   1.661  -2.497
+ 3472TIP3   OH216724   0.168   1.303  -2.681
+ 3472TIP3    H116725   0.235   1.233  -2.675
+ 3472TIP3    H216726   0.172   1.324  -2.776
+ 3473TIP3   OH216727   0.266   1.488  -2.495
+ 3473TIP3    H116728   0.229   1.434  -2.568
+ 3473TIP3    H216729   0.216   1.570  -2.502
+ 3474TIP3   OH216730   0.178   3.193  -4.175
+ 3474TIP3    H116731   0.272   3.213  -4.159
+ 3474TIP3    H216732   0.153   3.259  -4.241
+ 3475TIP3   OH216733  -0.530   3.151  -3.724
+ 3475TIP3    H116734  -0.606   3.120  -3.776
+ 3475TIP3    H216735  -0.530   3.087  -3.649
+ 3476TIP3   OH216736  -0.495   2.954  -3.522
+ 3476TIP3    H116737  -0.529   2.870  -3.486
+ 3476TIP3    H216738  -0.465   2.994  -3.439
+ 3477TIP3   OH216739   1.256   3.082  -3.219
+ 3477TIP3    H116740   1.272   3.083  -3.123
+ 3477TIP3    H216741   1.340   3.115  -3.253
+ 3478TIP3   OH216742   1.245   3.029  -2.931
+ 3478TIP3    H116743   1.194   2.955  -2.968
+ 3478TIP3    H216744   1.301   2.982  -2.867
+ 3479TIP3   OH216745   1.043   2.575  -2.506
+ 3479TIP3    H116746   0.958   2.579  -2.459
+ 3479TIP3    H216747   1.091   2.652  -2.470
+ 3480TIP3   OH216748   1.185   2.456  -3.930
+ 3480TIP3    H116749   1.275   2.491  -3.916
+ 3480TIP3    H216750   1.181   2.392  -3.856
+ 3481TIP3   OH216751   1.231   2.256  -3.732
+ 3481TIP3    H116752   1.164   2.200  -3.688
+ 3481TIP3    H216753   1.299   2.269  -3.663
+ 3482TIP3   OH216754   1.204   2.508  -3.234
+ 3482TIP3    H116755   1.266   2.459  -3.290
+ 3482TIP3    H216756   1.217   2.599  -3.264
+ 3483TIP3   OH216757   1.076   2.800  -3.010
+ 3483TIP3    H116758   1.002   2.840  -2.960
+ 3483TIP3    H216759   1.030   2.764  -3.088
+ 3484TIP3   OH216760   1.260   2.224  -4.109
+ 3484TIP3    H116761   1.196   2.251  -4.176
+ 3484TIP3    H216762   1.241   2.290  -4.040
+ 3485TIP3   OH216763   1.080   1.961  -4.216
+ 3485TIP3    H116764   1.108   2.035  -4.271
+ 3485TIP3    H216765   1.120   1.886  -4.260
+ 3486TIP3   OH216766   1.024   2.071  -3.650
+ 3486TIP3    H116767   1.016   1.976  -3.667
+ 3486TIP3    H216768   0.986   2.080  -3.560
+ 3487TIP3   OH216769  -0.483   2.285  -3.280
+ 3487TIP3    H116770  -0.465   2.294  -3.375
+ 3487TIP3    H216771  -0.394   2.283  -3.245
+ 3488TIP3   OH216772   1.087   2.263  -2.745
+ 3488TIP3    H116773   1.158   2.202  -2.718
+ 3488TIP3    H216774   1.133   2.347  -2.752
+ 3489TIP3   OH216775   1.242   2.078  -2.618
+ 3489TIP3    H116776   1.163   2.024  -2.636
+ 3489TIP3    H216777   1.312   2.010  -2.617
+ 3490TIP3   OH216778   1.002   1.650  -4.333
+ 3490TIP3    H116779   1.054   1.620  -4.258
+ 3490TIP3    H216780   0.913   1.615  -4.316
+ 3491TIP3   OH216781   1.004   1.825  -3.836
+ 3491TIP3    H116782   1.031   1.730  -3.829
+ 3491TIP3    H216783   1.086   1.863  -3.873
+ 3492TIP3   OH216784   1.035   1.882  -3.289
+ 3492TIP3    H116785   1.132   1.892  -3.291
+ 3492TIP3    H216786   1.021   1.886  -3.192
+ 3493TIP3   OH216787   1.048   1.951  -3.009
+ 3493TIP3    H116788   0.965   1.990  -2.977
+ 3493TIP3    H216789   1.102   2.030  -3.026
+ 3494TIP3   OH216790  -0.501   1.828  -2.641
+ 3494TIP3    H116791  -0.407   1.804  -2.637
+ 3494TIP3    H216792  -0.543   1.740  -2.632
+ 3495TIP3   OH216793   1.293   1.358  -2.483
+ 3495TIP3    H116794   1.338   1.293  -2.540
+ 3495TIP3    H216795   1.291   1.438  -2.539
+ 3496TIP3   OH216796   1.055   1.552  -3.826
+ 3496TIP3    H116797   1.072   1.512  -3.739
+ 3496TIP3    H216798   0.980   1.498  -3.859
+ 3497TIP3   OH216799  -0.406   1.674  -3.356
+ 3497TIP3    H116800  -0.369   1.585  -3.350
+ 3497TIP3    H216801  -0.340   1.726  -3.308
+ 3498TIP3   OH216802  -0.570   1.929  -3.255
+ 3498TIP3    H116803  -0.512   1.922  -3.332
+ 3498TIP3    H216804  -0.535   2.009  -3.212
+ 3499TIP3   OH216805   1.251   1.580  -2.652
+ 3499TIP3    H116806   1.161   1.614  -2.639
+ 3499TIP3    H216807   1.236   1.518  -2.726
+ 3500TIP3   OH216808   1.267   1.603  -4.162
+ 3500TIP3    H116809   1.263   1.523  -4.218
+ 3500TIP3    H216810   1.357   1.634  -4.178
+ 3501TIP3   OH216811  -0.523   1.574  -3.841
+ 3501TIP3    H116812  -0.614   1.564  -3.874
+ 3501TIP3    H216813  -0.479   1.619  -3.916
+ 3502TIP3   OH216814   0.943   3.082  -3.640
+ 3502TIP3    H116815   0.993   3.062  -3.721
+ 3502TIP3    H216816   1.008   3.129  -3.587
+ 3503TIP3   OH216817  -0.513   1.454  -3.033
+ 3503TIP3    H116818  -0.584   1.422  -2.975
+ 3503TIP3    H216819  -0.564   1.502  -3.101
+ 3504TIP3   OH216820  -0.316   2.757  -2.566
+ 3504TIP3    H116821  -0.388   2.759  -2.631
+ 3504TIP3    H216822  -0.363   2.759  -2.482
+ 3505TIP3   OH216823  -0.032   2.857  -3.000
+ 3505TIP3    H116824  -0.063   2.942  -3.035
+ 3505TIP3    H216825   0.064   2.867  -3.018
+ 3506TIP3   OH216826   0.419   2.989  -2.697
+ 3506TIP3    H116827   0.435   2.971  -2.604
+ 3506TIP3    H216828   0.502   3.034  -2.724
+ 3507TIP3   OH216829   0.648   3.134  -2.772
+ 3507TIP3    H116830   0.718   3.071  -2.796
+ 3507TIP3    H216831   0.679   3.165  -2.686
+ 3508TIP3   OH216832   1.093   1.366  -2.811
+ 3508TIP3    H116833   1.048   1.416  -2.881
+ 3508TIP3    H216834   1.139   1.297  -2.862
+ 3509TIP3   OH216835  -0.295   3.153  -2.966
+ 3509TIP3    H116836  -0.353   3.217  -3.011
+ 3509TIP3    H216837  -0.329   3.159  -2.876
+ 3510TIP3   OH216838  -0.045   3.130  -3.112
+ 3510TIP3    H116839  -0.130   3.151  -3.068
+ 3510TIP3    H216840  -0.040   3.201  -3.179
+ 3511TIP3   OH216841   0.429   3.131  -3.155
+ 3511TIP3    H116842   0.394   3.176  -3.234
+ 3511TIP3    H216843   0.439   3.206  -3.094
+ 3512TIP3   OH216844   0.663   3.003  -3.062
+ 3512TIP3    H116845   0.578   3.039  -3.096
+ 3512TIP3    H216846   0.720   3.081  -3.066
+ 3513TIP3   OH216847   0.917   3.176  -3.045
+ 3513TIP3    H116848   0.912   3.271  -3.066
+ 3513TIP3    H216849   0.945   3.140  -3.131
+ 3514TIP3   OH216850  -0.336   3.033  -3.273
+ 3514TIP3    H116851  -0.339   2.986  -3.187
+ 3514TIP3    H216852  -0.259   2.991  -3.314
+ 3515TIP3   OH216853  -0.134   2.908  -3.429
+ 3515TIP3    H116854  -0.148   2.816  -3.399
+ 3515TIP3    H216855  -0.043   2.925  -3.397
+ 3516TIP3   OH216856   0.140   2.954  -3.339
+ 3516TIP3    H116857   0.161   2.862  -3.360
+ 3516TIP3    H216858   0.148   2.954  -3.243
+ 3517TIP3   OH216859   0.472   1.546  -3.408
+ 3517TIP3    H116860   0.405   1.476  -3.396
+ 3517TIP3    H216861   0.535   1.502  -3.468
+ 3518TIP3   OH216862   0.969   1.349  -3.362
+ 3518TIP3    H116863   1.046   1.390  -3.405
+ 3518TIP3    H216864   0.895   1.375  -3.419
+ 3519TIP3   OH216865   1.176   1.457  -3.576
+ 3519TIP3    H116866   1.247   1.413  -3.626
+ 3519TIP3    H216867   1.210   1.549  -3.569
+ 3520TIP3   OH216868  -0.290   1.416  -3.651
+ 3520TIP3    H116869  -0.376   1.405  -3.697
+ 3520TIP3    H216870  -0.248   1.330  -3.670
+ 3521TIP3   OH216871  -0.403   1.367  -4.079
+ 3521TIP3    H116872  -0.349   1.433  -4.129
+ 3521TIP3    H216873  -0.451   1.426  -4.019
+ 3522TIP3   OH216874   0.157   1.399  -3.665
+ 3522TIP3    H116875   0.249   1.428  -3.679
+ 3522TIP3    H216876   0.155   1.388  -3.570
+ 3523TIP3   OH216877   0.718   1.403  -3.522
+ 3523TIP3    H116878   0.742   1.389  -3.615
+ 3523TIP3    H216879   0.678   1.317  -3.499
+ 3524TIP3   OH216880   0.823   1.410  -3.915
+ 3524TIP3    H116881   0.743   1.456  -3.946
+ 3524TIP3    H216882   0.793   1.317  -3.922
+ 3525TIP3   OH216883  -0.404   2.960  -3.970
+ 3525TIP3    H116884  -0.479   2.963  -4.032
+ 3525TIP3    H216885  -0.402   3.052  -3.939
+ 3526TIP3   OH216886  -0.242   1.542  -4.218
+ 3526TIP3    H116887  -0.194   1.492  -4.286
+ 3526TIP3    H216888  -0.169   1.587  -4.172
+ 3527TIP3   OH216889   0.269   1.562  -3.959
+ 3527TIP3    H116890   0.308   1.508  -3.889
+ 3527TIP3    H216891   0.294   1.651  -3.927
+ 3528TIP3   OH216892   0.474   3.123  -4.144
+ 3528TIP3    H116893   0.571   3.138  -4.149
+ 3528TIP3    H216894   0.463   3.064  -4.221
+ 3529TIP3   OH216895   1.138   3.044  -3.885
+ 3529TIP3    H116896   1.106   2.961  -3.927
+ 3529TIP3    H216897   1.113   3.111  -3.952
+ 3530TIP3   OH216898  -0.312   1.440  -2.699
+ 3530TIP3    H116899  -0.350   1.357  -2.665
+ 3530TIP3    H216900  -0.218   1.426  -2.675
+ 3531TIP3   OH216901  -0.073   1.376  -2.529
+ 3531TIP3    H116902   0.010   1.340  -2.568
+ 3531TIP3    H216903  -0.107   1.296  -2.485
+ 3532TIP3   OH216904  -0.211   3.062  -4.233
+ 3532TIP3    H116905  -0.244   3.097  -4.149
+ 3532TIP3    H216906  -0.133   3.012  -4.207
+ 3533TIP3   OH216907   1.077   2.924  -2.641
+ 3533TIP3    H116908   1.004   2.902  -2.701
+ 3533TIP3    H216909   1.058   3.017  -2.621
+ 3534TIP3   OH216910   2.499   2.290  -3.628
+ 3534TIP3    H116911   2.498   2.386  -3.616
+ 3534TIP3    H216912   2.421   2.276  -3.683
+ 3535TIP3   OH216913   2.381   2.235  -3.320
+ 3535TIP3    H116914   2.381   2.180  -3.241
+ 3535TIP3    H216915   2.355   2.170  -3.388
+ 3536TIP3   OH216916   1.630   2.193  -3.154
+ 3536TIP3    H116917   1.628   2.118  -3.091
+ 3536TIP3    H216918   1.699   2.248  -3.113
+ 3537TIP3   OH216919   2.749   2.508  -3.488
+ 3537TIP3    H116920   2.712   2.437  -3.433
+ 3537TIP3    H216921   2.779   2.570  -3.421
+ 3538TIP3   OH216922   1.695   2.658  -3.304
+ 3538TIP3    H116923   1.671   2.566  -3.328
+ 3538TIP3    H216924   1.788   2.644  -3.279
+ 3539TIP3   OH216925   1.395   1.998  -3.762
+ 3539TIP3    H116926   1.352   2.085  -3.753
+ 3539TIP3    H216927   1.327   1.947  -3.807
+ 3540TIP3   OH216928   1.475   2.243  -3.578
+ 3540TIP3    H116929   1.488   2.159  -3.529
+ 3540TIP3    H216930   1.560   2.253  -3.623
+ 3541TIP3   OH216931   2.455   3.044  -3.432
+ 3541TIP3    H116932   2.513   2.973  -3.464
+ 3541TIP3    H216933   2.428   3.011  -3.345
+ 3542TIP3   OH216934   2.231   2.485  -3.264
+ 3542TIP3    H116935   2.264   2.412  -3.320
+ 3542TIP3    H216936   2.311   2.501  -3.212
+ 3543TIP3   OH216937   3.098   1.637  -3.200
+ 3543TIP3    H116938   3.122   1.699  -3.128
+ 3543TIP3    H216939   3.158   1.666  -3.270
+ 3544TIP3   OH216940   2.561   1.918  -3.213
+ 3544TIP3    H116941   2.574   1.822  -3.207
+ 3544TIP3    H216942   2.552   1.931  -3.308
+ 3545TIP3   OH216943   1.857   1.719  -3.504
+ 3545TIP3    H116944   1.871   1.805  -3.550
+ 3545TIP3    H216945   1.822   1.667  -3.579
+ 3546TIP3   OH216946   2.641   1.736  -3.673
+ 3546TIP3    H116947   2.699   1.692  -3.608
+ 3546TIP3    H216948   2.706   1.779  -3.730
+ 3547TIP3   OH216949   1.527   1.994  -3.454
+ 3547TIP3    H116950   1.589   1.946  -3.397
+ 3547TIP3    H216951   1.534   1.944  -3.537
+ 3548TIP3   OH216952   2.065   2.132  -3.509
+ 3548TIP3    H116953   2.135   2.077  -3.470
+ 3548TIP3    H216954   2.014   2.065  -3.558
+ 3549TIP3   OH216955   3.171   1.775  -2.951
+ 3549TIP3    H116956   3.111   1.846  -2.980
+ 3549TIP3    H216957   3.148   1.770  -2.857
+ 3550TIP3   OH216958   1.737   1.598  -3.089
+ 3550TIP3    H116959   1.697   1.649  -3.161
+ 3550TIP3    H216960   1.672   1.613  -3.017
+ 3551TIP3   OH216961   2.486   2.574  -3.749
+ 3551TIP3    H116962   2.455   2.554  -3.838
+ 3551TIP3    H216963   2.443   2.659  -3.731
+ 3552TIP3   OH216964   2.031   2.387  -3.076
+ 3552TIP3    H116965   1.957   2.446  -3.050
+ 3552TIP3    H216966   2.093   2.449  -3.119
+ 3553TIP3   OH216967   2.826   1.661  -3.470
+ 3553TIP3    H116968   2.786   1.601  -3.406
+ 3553TIP3    H216969   2.877   1.721  -3.413
+ 3554TIP3   OH216970   1.697   1.803  -3.294
+ 3554TIP3    H116971   1.762   1.861  -3.248
+ 3554TIP3    H216972   1.755   1.766  -3.365
+ 3555TIP3   OH216973   1.829   2.574  -3.005
+ 3555TIP3    H116974   1.826   2.667  -3.033
+ 3555TIP3    H216975   1.743   2.567  -2.960
+ 3556TIP3   OH216976   1.463   2.543  -3.918
+ 3556TIP3    H116977   1.441   2.586  -4.003
+ 3556TIP3    H216978   1.477   2.618  -3.857
+ 3557TIP3   OH216979   2.806   2.690  -3.239
+ 3557TIP3    H116980   2.709   2.703  -3.237
+ 3557TIP3    H216981   2.835   2.775  -3.275
+ 3558TIP3   OH216982   2.839   1.579  -3.084
+ 3558TIP3    H116983   2.761   1.615  -3.131
+ 3558TIP3    H216984   2.911   1.595  -3.148
+ 3559TIP3   OH216985   2.152   1.348  -3.380
+ 3559TIP3    H116986   2.129   1.253  -3.385
+ 3559TIP3    H216987   2.069   1.386  -3.343
+ 3560TIP3   OH216988   2.635   2.883  -3.584
+ 3560TIP3    H116989   2.683   2.804  -3.614
+ 3560TIP3    H216990   2.704   2.952  -3.590
+ 3561TIP3   OH216991   2.780   2.671  -3.720
+ 3561TIP3    H116992   2.731   2.623  -3.788
+ 3561TIP3    H216993   2.776   2.607  -3.646
+ 3562TIP3   OH216994   2.936   2.552  -2.870
+ 3562TIP3    H116995   2.925   2.488  -2.943
+ 3562TIP3    H216996   2.947   2.636  -2.919
+ 3563TIP3   OH216997   2.361   2.237  -3.907
+ 3563TIP3    H116998   2.300   2.307  -3.937
+ 3563TIP3    H216999   2.434   2.244  -3.971
+ 3564TIP3   OH217000   3.111   2.169  -3.076
+ 3564TIP3    H117001   3.039   2.235  -3.069
+ 3564TIP3    H217002   3.159   2.204  -3.154
+ 3565TIP3   OH217003   2.708   2.236  -3.801
+ 3565TIP3    H117004   2.642   2.258  -3.732
+ 3565TIP3    H217005   2.771   2.184  -3.749
+ 3566TIP3   OH217006   2.696   2.096  -2.909
+ 3566TIP3    H117007   2.702   2.180  -2.859
+ 3566TIP3    H217008   2.632   2.124  -2.976
+ 3567TIP3   OH217009   1.872   2.318  -3.617
+ 3567TIP3    H117010   1.845   2.273  -3.700
+ 3567TIP3    H217011   1.937   2.255  -3.581
+ 3568TIP3   OH217012   2.010   2.661  -3.343
+ 3568TIP3    H117013   1.998   2.619  -3.429
+ 3568TIP3    H217014   2.088   2.614  -3.308
+ 3569TIP3   OH217015   1.931   2.201  -3.268
+ 3569TIP3    H117016   1.990   2.204  -3.345
+ 3569TIP3    H217017   1.970   2.267  -3.208
+ 3570TIP3   OH217018   2.525   2.752  -3.209
+ 3570TIP3    H117019   2.528   2.819  -3.139
+ 3570TIP3    H217020   2.503   2.670  -3.161
+ 3571TIP3   OH217021   2.015   2.632  -2.783
+ 3571TIP3    H117022   1.964   2.699  -2.734
+ 3571TIP3    H217023   1.950   2.606  -2.852
+ 3572TIP3   OH217024   2.601   2.197  -4.067
+ 3572TIP3    H117025   2.647   2.210  -3.981
+ 3572TIP3    H217026   2.668   2.228  -4.130
+ 3573TIP3   OH217027   1.708   2.273  -2.872
+ 3573TIP3    H117028   1.713   2.330  -2.793
+ 3573TIP3    H217029   1.612   2.258  -2.879
+ 3574TIP3   OH217030   2.352   2.847  -3.696
+ 3574TIP3    H117031   2.404   2.872  -3.619
+ 3574TIP3    H217032   2.306   2.929  -3.719
+ 3575TIP3   OH217033   1.825   2.851  -2.701
+ 3575TIP3    H117034   1.813   2.854  -2.798
+ 3575TIP3    H217035   1.737   2.823  -2.669
+ 3576TIP3   OH217036   2.965   1.353  -4.073
+ 3576TIP3    H117037   2.868   1.359  -4.061
+ 3576TIP3    H217038   2.986   1.443  -4.101
+ 3577TIP3   OH217039   1.778   2.192  -3.875
+ 3577TIP3    H117040   1.743   2.271  -3.921
+ 3577TIP3    H217041   1.705   2.130  -3.885
+ 3578TIP3   OH217042   3.070   2.787  -4.254
+ 3578TIP3    H117043   3.099   2.867  -4.206
+ 3578TIP3    H217044   3.144   2.725  -4.240
+ 3579TIP3   OH217045   1.370   2.461  -2.990
+ 3579TIP3    H117046   1.326   2.460  -3.077
+ 3579TIP3    H217047   1.384   2.366  -2.973
+ 3580TIP3   OH217048   1.376   2.754  -3.297
+ 3580TIP3    H117049   1.468   2.725  -3.291
+ 3580TIP3    H217050   1.370   2.814  -3.222
+ 3581TIP3   OH217051   3.215   2.815  -2.718
+ 3581TIP3    H117052   3.204   2.721  -2.739
+ 3581TIP3    H217053   3.123   2.839  -2.691
+ 3582TIP3   OH217054   2.279   2.737  -2.840
+ 3582TIP3    H117055   2.287   2.820  -2.787
+ 3582TIP3    H217056   2.189   2.708  -2.816
+ 3583TIP3   OH217057   2.309   3.117  -3.848
+ 3583TIP3    H117058   2.310   3.130  -3.944
+ 3583TIP3    H217059   2.313   3.208  -3.814
+ 3584TIP3   OH217060   1.688   3.030  -3.681
+ 3584TIP3    H117061   1.705   2.987  -3.595
+ 3584TIP3    H217062   1.601   2.994  -3.703
+ 3585TIP3   OH217063   2.633   3.078  -4.140
+ 3585TIP3    H117064   2.679   3.020  -4.204
+ 3585TIP3    H217065   2.639   3.025  -4.058
+ 3586TIP3   OH217066   2.582   3.006  -3.863
+ 3586TIP3    H117067   2.489   3.023  -3.839
+ 3586TIP3    H217068   2.606   2.940  -3.796
+ 3587TIP3   OH217069   2.891   1.950  -2.677
+ 3587TIP3    H117070   2.842   1.991  -2.750
+ 3587TIP3    H217071   2.898   1.858  -2.708
+ 3588TIP3   OH217072   1.590   2.616  -2.865
+ 3588TIP3    H117073   1.617   2.569  -2.784
+ 3588TIP3    H217074   1.516   2.561  -2.898
+ 3589TIP3   OH217075   1.910   1.463  -3.289
+ 3589TIP3    H117076   1.828   1.457  -3.341
+ 3589TIP3    H217077   1.886   1.536  -3.229
+ 3590TIP3   OH217078   2.346   1.422  -2.923
+ 3590TIP3    H117079   2.399   1.367  -2.861
+ 3590TIP3    H217080   2.256   1.386  -2.912
+ 3591TIP3   OH217081   2.663   1.801  -2.871
+ 3591TIP3    H117082   2.600   1.785  -2.798
+ 3591TIP3    H217083   2.655   1.896  -2.888
+ 3592TIP3   OH217084   2.834   2.270  -4.251
+ 3592TIP3    H117085   2.803   2.252  -4.341
+ 3592TIP3    H217086   2.875   2.356  -4.264
+ 3593TIP3   OH217087   2.326   1.660  -4.219
+ 3593TIP3    H117088   2.278   1.653  -4.136
+ 3593TIP3    H217089   2.284   1.589  -4.270
+ 3594TIP3   OH217090   1.895   1.941  -3.149
+ 3594TIP3    H117091   1.839   1.953  -3.070
+ 3594TIP3    H217092   1.902   2.033  -3.184
+ 3595TIP3   OH217093   1.887   1.952  -3.661
+ 3595TIP3    H117094   1.791   1.936  -3.676
+ 3595TIP3    H217095   1.922   1.928  -3.749
+ 3596TIP3   OH217096   2.457   2.003  -3.785
+ 3596TIP3    H117097   2.416   2.085  -3.819
+ 3596TIP3    H217098   2.522   1.983  -3.855
+ 3597TIP3   OH217099   2.369   2.027  -2.645
+ 3597TIP3    H117100   2.318   1.950  -2.611
+ 3597TIP3    H217101   2.457   2.011  -2.606
+ 3598TIP3   OH217102   2.536   1.944  -3.505
+ 3598TIP3    H117103   2.508   2.001  -3.579
+ 3598TIP3    H217104   2.557   1.863  -3.555
+ 3599TIP3   OH217105   1.628   1.958  -2.964
+ 3599TIP3    H117106   1.658   1.989  -2.877
+ 3599TIP3    H217107   1.595   1.869  -2.943
+ 3600TIP3   OH217108   2.008   1.735  -4.298
+ 3600TIP3    H117109   1.975   1.675  -4.228
+ 3600TIP3    H217110   1.926   1.752  -4.348
+ 3601TIP3   OH217111   1.315   1.707  -3.600
+ 3601TIP3    H117112   1.377   1.700  -3.526
+ 3601TIP3    H217113   1.362   1.666  -3.674
+ 3602TIP3   OH217114   1.480   1.753  -4.032
+ 3602TIP3    H117115   1.528   1.799  -4.103
+ 3602TIP3    H217116   1.404   1.812  -4.018
+ 3603TIP3   OH217117   2.446   2.113  -3.059
+ 3603TIP3    H117118   2.490   2.041  -3.109
+ 3603TIP3    H217119   2.412   2.065  -2.982
+ 3604TIP3   OH217120   2.167   1.709  -3.557
+ 3604TIP3    H117121   2.072   1.702  -3.535
+ 3604TIP3    H217122   2.209   1.688  -3.472
+ 3605TIP3   OH217123   1.626   1.832  -3.692
+ 3605TIP3    H117124   1.541   1.856  -3.735
+ 3605TIP3    H217125   1.652   1.751  -3.740
+ 3606TIP3   OH217126   1.982   1.867  -3.927
+ 3606TIP3    H117127   2.078   1.872  -3.912
+ 3606TIP3    H217128   1.963   1.939  -3.988
+ 3607TIP3   OH217129   2.605   1.622  -3.255
+ 3607TIP3    H117130   2.541   1.623  -3.181
+ 3607TIP3    H217131   2.548   1.588  -3.326
+ 3608TIP3   OH217132   1.860   1.995  -4.180
+ 3608TIP3    H117133   1.780   1.945  -4.206
+ 3608TIP3    H217134   1.927   1.949  -4.231
+ 3609TIP3   OH217135   2.905   3.201  -2.589
+ 3609TIP3    H117136   2.928   3.245  -2.672
+ 3609TIP3    H217137   2.977   3.230  -2.530
+ 3610TIP3   OH217138   1.696   2.463  -2.646
+ 3610TIP3    H117139   1.763   2.470  -2.576
+ 3610TIP3    H217140   1.615   2.459  -2.591
+ 3611TIP3   OH217141   2.268   1.963  -3.375
+ 3611TIP3    H117142   2.341   1.920  -3.421
+ 3611TIP3    H217143   2.252   1.902  -3.300
+ 3612TIP3   OH217144   1.801   1.604  -3.762
+ 3612TIP3    H117145   1.743   1.527  -3.748
+ 3612TIP3    H217146   1.882   1.563  -3.794
+ 3613TIP3   OH217147   2.165   1.809  -3.151
+ 3613TIP3    H117148   2.088   1.867  -3.149
+ 3613TIP3    H217149   2.214   1.834  -3.069
+ 3614TIP3   OH217150   2.180   2.446  -3.960
+ 3614TIP3    H117151   2.106   2.391  -3.993
+ 3614TIP3    H217152   2.161   2.453  -3.864
+ 3615TIP3   OH217153   2.902   2.363  -3.087
+ 3615TIP3    H117154   2.952   2.418  -3.151
+ 3615TIP3    H217155   2.816   2.353  -3.133
+ 3616TIP3   OH217156   2.601   1.721  -4.178
+ 3616TIP3    H117157   2.505   1.719  -4.191
+ 3616TIP3    H217158   2.617   1.802  -4.126
+ 3617TIP3   OH217159   2.343   2.448  -2.828
+ 3617TIP3    H117160   2.312   2.417  -2.742
+ 3617TIP3    H217161   2.313   2.540  -2.828
+ 3618TIP3   OH217162   2.655   1.910  -3.983
+ 3618TIP3    H117163   2.744   1.893  -3.945
+ 3618TIP3    H217164   2.668   1.991  -4.035
+ 3619TIP3   OH217165   1.693   2.386  -3.378
+ 3619TIP3    H117166   1.749   2.375  -3.456
+ 3619TIP3    H217167   1.703   2.300  -3.333
+ 3620TIP3   OH217168   2.422   2.582  -4.070
+ 3620TIP3    H117169   2.395   2.671  -4.038
+ 3620TIP3    H217170   2.346   2.529  -4.041
+ 3621TIP3   OH217171   1.421   2.213  -2.853
+ 3621TIP3    H117172   1.434   2.171  -2.766
+ 3621TIP3    H217173   1.356   2.154  -2.895
+ 3622TIP3   OH217174   2.116   2.165  -2.654
+ 3622TIP3    H117175   2.082   2.139  -2.741
+ 3622TIP3    H217176   2.209   2.137  -2.663
+ 3623TIP3   OH217177   2.569   2.706  -2.881
+ 3623TIP3    H117178   2.473   2.716  -2.887
+ 3623TIP3    H217179   2.586   2.732  -2.789
+ 3624TIP3   OH217180   3.128   1.919  -3.999
+ 3624TIP3    H117181   3.065   1.900  -4.071
+ 3624TIP3    H217182   3.139   2.015  -4.017
+ 3625TIP3   OH217183   3.168   2.516  -2.724
+ 3625TIP3    H117184   3.075   2.538  -2.743
+ 3625TIP3    H217185   3.202   2.499  -2.814
+ 3626TIP3   OH217186   2.941   2.766  -4.000
+ 3626TIP3    H117187   2.924   2.691  -3.941
+ 3626TIP3    H217188   2.988   2.725  -4.073
+ 3627TIP3   OH217189   2.668   2.307  -3.256
+ 3627TIP3    H117190   2.574   2.291  -3.280
+ 3627TIP3    H217191   2.711   2.235  -3.306
+ 3628TIP3   OH217192   1.931   2.714  -3.657
+ 3628TIP3    H117193   1.972   2.801  -3.664
+ 3628TIP3    H217194   1.838   2.735  -3.674
+ 3629TIP3   OH217195   1.540   2.207  -4.200
+ 3629TIP3    H117196   1.592   2.274  -4.151
+ 3629TIP3    H217197   1.449   2.225  -4.170
+ 3630TIP3   OH217198   2.112   2.484  -3.694
+ 3630TIP3    H117199   2.084   2.575  -3.676
+ 3630TIP3    H217200   2.044   2.433  -3.648
+ 3631TIP3   OH217201   2.130   2.910  -3.055
+ 3631TIP3    H117202   2.186   2.984  -3.083
+ 3631TIP3    H217203   2.192   2.861  -2.998
+ 3632TIP3   OH217204   1.975   3.005  -3.735
+ 3632TIP3    H117205   1.879   3.019  -3.724
+ 3632TIP3    H217206   2.010   3.092  -3.708
+ 3633TIP3   OH217207   2.471   2.484  -3.099
+ 3633TIP3    H117208   2.443   2.457  -3.009
+ 3633TIP3    H217209   2.545   2.424  -3.115
+ 3634TIP3   OH217210   2.684   2.608  -4.195
+ 3634TIP3    H117211   2.737   2.569  -4.123
+ 3634TIP3    H217212   2.596   2.601  -4.155
+ 3635TIP3   OH217213   2.766   2.942  -2.859
+ 3635TIP3    H117214   2.690   2.897  -2.901
+ 3635TIP3    H217215   2.776   3.021  -2.914
+ 3636TIP3   OH217216   3.172   3.061  -4.159
+ 3636TIP3    H117217   3.244   3.125  -4.142
+ 3636TIP3    H217218   3.094   3.116  -4.138
+ 3637TIP3   OH217219   1.550   1.678  -2.891
+ 3637TIP3    H117220   1.459   1.704  -2.915
+ 3637TIP3    H217221   1.535   1.592  -2.848
+ 3638TIP3   OH217222   2.784   2.473  -3.967
+ 3638TIP3    H117223   2.757   2.398  -3.911
+ 3638TIP3    H217224   2.881   2.470  -3.959
+ 3639TIP3   OH217225   1.527   2.854  -3.050
+ 3639TIP3    H117226   1.556   2.763  -3.033
+ 3639TIP3    H217227   1.548   2.895  -2.966
+ 3640TIP3   OH217228   2.135   2.717  -4.329
+ 3640TIP3    H117229   2.176   2.632  -4.353
+ 3640TIP3    H217230   2.087   2.692  -4.248
+ 3641TIP3   OH217231   1.995   2.670  -4.080
+ 3641TIP3    H117232   2.043   2.620  -4.012
+ 3641TIP3    H217233   2.011   2.763  -4.051
+ 3642TIP3   OH217234   1.684   2.412  -4.035
+ 3642TIP3    H117235   1.605   2.448  -3.989
+ 3642TIP3    H217236   1.724   2.494  -4.068
+ 3643TIP3   OH217237   2.448   1.663  -3.036
+ 3643TIP3    H117238   2.509   1.688  -2.966
+ 3643TIP3    H217239   2.398   1.589  -2.995
+ 3644TIP3   OH217240   2.504   1.622  -3.921
+ 3644TIP3    H117241   2.540   1.666  -4.000
+ 3644TIP3    H217242   2.559   1.658  -3.851
+ 3645TIP3   OH217243   2.286   2.830  -4.032
+ 3645TIP3    H117244   2.211   2.883  -4.000
+ 3645TIP3    H217245   2.342   2.899  -4.071
+ 3646TIP3   OH217246   2.245   1.814  -3.815
+ 3646TIP3    H117247   2.328   1.865  -3.802
+ 3646TIP3    H217248   2.222   1.791  -3.723
+ 3647TIP3   OH217249   2.289   1.897  -2.900
+ 3647TIP3    H117250   2.293   1.949  -2.818
+ 3647TIP3    H217251   2.342   1.820  -2.876
+ 3648TIP3   OH217252   2.315   1.511  -3.724
+ 3648TIP3    H117253   2.296   1.579  -3.657
+ 3648TIP3    H217254   2.386   1.554  -3.775
+ 3649TIP3   OH217255   2.005   2.949  -4.026
+ 3649TIP3    H117256   2.012   3.034  -4.073
+ 3649TIP3    H217257   1.994   2.977  -3.933
+ 3650TIP3   OH217258   1.884   1.615  -4.082
+ 3650TIP3    H117259   1.882   1.684  -4.014
+ 3650TIP3    H217260   1.958   1.560  -4.049
+ 3651TIP3   OH217261   2.916   1.699  -2.810
+ 3651TIP3    H117262   2.820   1.712  -2.826
+ 3651TIP3    H217263   2.942   1.675  -2.900
+ 3652TIP3   OH217264   2.767   2.082  -3.408
+ 3652TIP3    H117265   2.685   2.037  -3.435
+ 3652TIP3    H217266   2.816   2.010  -3.362
+ 3653TIP3   OH217267   1.717   2.705  -4.154
+ 3653TIP3    H117268   1.800   2.736  -4.114
+ 3653TIP3    H217269   1.750   2.662  -4.235
+ 3654TIP3   OH217270   1.550   1.928  -4.251
+ 3654TIP3    H117271   1.555   2.024  -4.235
+ 3654TIP3    H217272   1.462   1.920  -4.290
+ 3655TIP3   OH217273   2.873   2.970  -3.267
+ 3655TIP3    H117274   2.856   3.050  -3.319
+ 3655TIP3    H217275   2.967   2.981  -3.248
+ 3656TIP3   OH217276   1.629   1.419  -3.371
+ 3656TIP3    H117277   1.613   1.416  -3.467
+ 3656TIP3    H217278   1.597   1.332  -3.341
+ 3657TIP3   OH217279   1.517   2.769  -3.748
+ 3657TIP3    H117280   1.440   2.822  -3.723
+ 3657TIP3    H217281   1.557   2.822  -3.818
+ 3658TIP3   OH217282   1.460   3.059  -2.628
+ 3658TIP3    H117283   1.518   3.030  -2.555
+ 3658TIP3    H217284   1.421   2.973  -2.657
+ 3659TIP3   OH217285   1.928   2.966  -2.450
+ 3659TIP3    H117286   1.998   2.902  -2.428
+ 3659TIP3    H217287   1.906   2.938  -2.541
+ 3660TIP3   OH217288   2.351   2.902  -4.335
+ 3660TIP3    H117289   2.271   2.846  -4.326
+ 3660TIP3    H217290   2.418   2.834  -4.352
+ 3661TIP3   OH217291   2.577   2.792  -2.593
+ 3661TIP3    H117292   2.538   2.711  -2.555
+ 3661TIP3    H217293   2.646   2.814  -2.527
+ 3662TIP3   OH217294   2.741   2.870  -4.289
+ 3662TIP3    H117295   2.766   2.792  -4.239
+ 3662TIP3    H217296   2.827   2.910  -4.314
+ 3663TIP3   OH217297   1.454   2.422  -2.517
+ 3663TIP3    H117298   1.462   2.330  -2.547
+ 3663TIP3    H217299   1.377   2.452  -2.568
+ 3664TIP3   OH217300   1.885   2.434  -4.320
+ 3664TIP3    H117301   1.918   2.418  -4.231
+ 3664TIP3    H217302   1.961   2.470  -4.368
+ 3665TIP3   OH217303   2.120   2.441  -2.583
+ 3665TIP3    H117304   2.088   2.474  -2.668
+ 3665TIP3    H217305   2.125   2.344  -2.598
+ 3666TIP3   OH217306   2.410   2.580  -4.347
+ 3666TIP3    H117307   2.428   2.597  -4.253
+ 3666TIP3    H217308   2.481   2.519  -4.372
+ 3667TIP3   OH217309   2.656   2.402  -2.843
+ 3667TIP3    H117310   2.734   2.456  -2.863
+ 3667TIP3    H217311   2.586   2.470  -2.845
+ 3668TIP3   OH217312   1.542   2.137  -2.599
+ 3668TIP3    H117313   1.613   2.071  -2.598
+ 3668TIP3    H217314   1.536   2.158  -2.504
+ 3669TIP3   OH217315   1.995   2.256  -4.090
+ 3669TIP3    H117316   1.928   2.236  -4.024
+ 3669TIP3    H217317   1.976   2.185  -4.154
+ 3670TIP3   OH217318   1.906   2.047  -2.858
+ 3670TIP3    H117319   1.854   2.126  -2.835
+ 3670TIP3    H217320   1.972   2.085  -2.918
+ 3671TIP3   OH217321   2.438   2.320  -2.499
+ 3671TIP3    H117322   2.528   2.301  -2.532
+ 3671TIP3    H217323   2.411   2.234  -2.463
+ 3672TIP3   OH217324   1.968   1.780  -2.742
+ 3672TIP3    H117325   1.973   1.712  -2.813
+ 3672TIP3    H217326   1.945   1.859  -2.793
+ 3673TIP3   OH217327   2.000   1.625  -2.997
+ 3673TIP3    H117328   2.052   1.676  -3.061
+ 3673TIP3    H217329   1.909   1.628  -3.033
+ 3674TIP3   OH217330   2.155   2.169  -2.956
+ 3674TIP3    H117331   2.238   2.161  -3.005
+ 3674TIP3    H217332   2.124   2.257  -2.987
+ 3675TIP3   OH217333   2.614   1.961  -2.470
+ 3675TIP3    H117334   2.639   1.868  -2.478
+ 3675TIP3    H217335   2.699   2.005  -2.486
+ 3676TIP3   OH217336   2.709   2.241  -2.628
+ 3676TIP3    H117337   2.675   2.303  -2.697
+ 3676TIP3    H217338   2.799   2.227  -2.664
+ 3677TIP3   OH217339   1.789   1.962  -2.562
+ 3677TIP3    H117340   1.734   1.882  -2.561
+ 3677TIP3    H217341   1.869   1.931  -2.607
+ 3678TIP3   OH217342   2.072   1.358  -2.960
+ 3678TIP3    H117343   2.054   1.453  -2.977
+ 3678TIP3    H217344   2.003   1.315  -3.015
+ 3679TIP3   OH217345   2.198   1.814  -2.582
+ 3679TIP3    H117346   2.160   1.793  -2.494
+ 3679TIP3    H217347   2.120   1.796  -2.638
+ 3680TIP3   OH217348   2.454   1.721  -2.694
+ 3680TIP3    H117349   2.364   1.724  -2.656
+ 3680TIP3    H217350   2.498   1.655  -2.637
+ 3681TIP3   OH217351   2.637   1.572  -2.515
+ 3681TIP3    H117352   2.623   1.475  -2.507
+ 3681TIP3    H217353   2.615   1.604  -2.427
+ 3682TIP3   OH217354   1.656   1.708  -2.578
+ 3682TIP3    H117355   1.645   1.637  -2.644
+ 3682TIP3    H217356   1.631   1.661  -2.496
+ 3683TIP3   OH217357   2.056   1.306  -2.679
+ 3683TIP3    H117358   2.117   1.230  -2.675
+ 3683TIP3    H217359   2.052   1.321  -2.775
+ 3684TIP3   OH217360   2.151   1.494  -2.494
+ 3684TIP3    H117361   2.121   1.434  -2.565
+ 3684TIP3    H217362   2.081   1.561  -2.491
+ 3685TIP3   OH217363   2.064   3.194  -4.174
+ 3685TIP3    H117364   2.158   3.213  -4.160
+ 3685TIP3    H217365   2.039   3.259  -4.242
+ 3686TIP3   OH217366   1.449   2.599  -4.194
+ 3686TIP3    H117367   1.537   2.641  -4.198
+ 3686TIP3    H217368   1.443   2.552  -4.279
+ 3687TIP3   OH217369   1.354   3.153  -3.723
+ 3687TIP3    H117370   1.279   3.120  -3.776
+ 3687TIP3    H217371   1.356   3.088  -3.650
+ 3688TIP3   OH217372   1.388   2.957  -3.520
+ 3688TIP3    H117373   1.358   2.871  -3.488
+ 3688TIP3    H217374   1.421   2.994  -3.437
+ 3689TIP3   OH217375   3.154   3.081  -3.224
+ 3689TIP3    H117376   3.171   3.080  -3.129
+ 3689TIP3    H217377   3.236   3.121  -3.258
+ 3690TIP3   OH217378   3.130   3.030  -2.930
+ 3690TIP3    H117379   3.081   2.956  -2.969
+ 3690TIP3    H217380   3.187   2.982  -2.868
+ 3691TIP3   OH217381   2.931   2.571  -2.501
+ 3691TIP3    H117382   2.842   2.582  -2.462
+ 3691TIP3    H217383   2.976   2.652  -2.472
+ 3692TIP3   OH217384   3.071   2.456  -3.931
+ 3692TIP3    H117385   3.161   2.493  -3.917
+ 3692TIP3    H217386   3.068   2.393  -3.856
+ 3693TIP3   OH217387   3.116   2.256  -3.732
+ 3693TIP3    H117388   3.049   2.201  -3.687
+ 3693TIP3    H217389   3.185   2.270  -3.664
+ 3694TIP3   OH217390   3.089   2.508  -3.234
+ 3694TIP3    H117391   3.151   2.460  -3.290
+ 3694TIP3    H217392   3.103   2.599  -3.263
+ 3695TIP3   OH217393   2.961   2.798  -3.008
+ 3695TIP3    H117394   2.888   2.840  -2.959
+ 3695TIP3    H217395   2.916   2.764  -3.088
+ 3696TIP3   OH217396   3.145   2.223  -4.107
+ 3696TIP3    H117397   3.084   2.253  -4.175
+ 3696TIP3    H217398   3.127   2.289  -4.038
+ 3697TIP3   OH217399   2.967   1.963  -4.213
+ 3697TIP3    H117400   2.997   2.034  -4.272
+ 3697TIP3    H217401   2.999   1.885  -4.259
+ 3698TIP3   OH217402   2.907   2.073  -3.651
+ 3698TIP3    H117403   2.900   1.977  -3.668
+ 3698TIP3    H217404   2.869   2.082  -3.561
+ 3699TIP3   OH217405   1.395   2.292  -3.280
+ 3699TIP3    H117406   1.420   2.298  -3.374
+ 3699TIP3    H217407   1.481   2.271  -3.239
+ 3700TIP3   OH217408   2.970   2.264  -2.735
+ 3700TIP3    H117409   3.045   2.203  -2.719
+ 3700TIP3    H217410   3.015   2.347  -2.756
+ 3701TIP3   OH217411   3.126   2.074  -2.611
+ 3701TIP3    H117412   3.047   2.021  -2.636
+ 3701TIP3    H217413   3.197   2.007  -2.617
+ 3702TIP3   OH217414   2.889   1.651  -4.333
+ 3702TIP3    H117415   2.945   1.617  -4.262
+ 3702TIP3    H217416   2.803   1.609  -4.318
+ 3703TIP3   OH217417   2.891   1.824  -3.835
+ 3703TIP3    H117418   2.917   1.730  -3.828
+ 3703TIP3    H217419   2.973   1.862  -3.872
+ 3704TIP3   OH217420   2.921   1.882  -3.289
+ 3704TIP3    H117421   3.018   1.893  -3.291
+ 3704TIP3    H217422   2.906   1.884  -3.193
+ 3705TIP3   OH217423   2.937   1.952  -3.006
+ 3705TIP3    H117424   2.851   1.990  -2.980
+ 3705TIP3    H217425   2.989   2.031  -3.028
+ 3706TIP3   OH217426   1.388   1.831  -2.643
+ 3706TIP3    H117427   1.482   1.804  -2.635
+ 3706TIP3    H217428   1.343   1.745  -2.634
+ 3707TIP3   OH217429   3.191   1.367  -2.478
+ 3707TIP3    H117430   3.234   1.297  -2.531
+ 3707TIP3    H217431   3.196   1.444  -2.537
+ 3708TIP3   OH217432   2.942   1.549  -3.830
+ 3708TIP3    H117433   2.952   1.511  -3.741
+ 3708TIP3    H217434   2.868   1.495  -3.865
+ 3709TIP3   OH217435   1.463   1.661  -3.359
+ 3709TIP3    H117436   1.510   1.576  -3.353
+ 3709TIP3    H217437   1.531   1.721  -3.324
+ 3710TIP3   OH217438   1.317   1.929  -3.255
+ 3710TIP3    H117439   1.375   1.926  -3.333
+ 3710TIP3    H217440   1.353   2.005  -3.208
+ 3711TIP3   OH217441   3.130   1.573  -2.654
+ 3711TIP3    H117442   3.042   1.614  -2.651
+ 3711TIP3    H217443   3.120   1.516  -2.733
+ 3712TIP3   OH217444   3.145   1.587  -4.174
+ 3712TIP3    H117445   3.168   1.517  -4.235
+ 3712TIP3    H217446   3.228   1.638  -4.170
+ 3713TIP3   OH217447   1.366   1.568  -3.849
+ 3713TIP3    H117448   1.272   1.566  -3.872
+ 3713TIP3    H217449   1.405   1.623  -3.919
+ 3714TIP3   OH217450   2.826   3.086  -3.638
+ 3714TIP3    H117451   2.872   3.064  -3.721
+ 3714TIP3    H217452   2.897   3.129  -3.588
+ 3715TIP3   OH217453   1.359   1.454  -3.020
+ 3715TIP3    H117454   1.287   1.409  -2.976
+ 3715TIP3    H217455   1.312   1.503  -3.091
+ 3716TIP3   OH217456   1.570   2.763  -2.567
+ 3716TIP3    H117457   1.497   2.758  -2.630
+ 3716TIP3    H217458   1.525   2.754  -2.482
+ 3717TIP3   OH217459   1.854   2.858  -3.000
+ 3717TIP3    H117460   1.823   2.944  -3.035
+ 3717TIP3    H217461   1.950   2.868  -3.017
+ 3718TIP3   OH217462   2.305   2.989  -2.698
+ 3718TIP3    H117463   2.319   2.972  -2.604
+ 3718TIP3    H217464   2.388   3.034  -2.723
+ 3719TIP3   OH217465   2.534   3.135  -2.775
+ 3719TIP3    H117466   2.603   3.071  -2.797
+ 3719TIP3    H217467   2.564   3.165  -2.687
+ 3720TIP3   OH217468   3.017   1.395  -2.855
+ 3720TIP3    H117469   2.937   1.413  -2.906
+ 3720TIP3    H217470   3.039   1.305  -2.888
+ 3721TIP3   OH217471   1.592   3.154  -2.966
+ 3721TIP3    H117472   1.532   3.217  -3.011
+ 3721TIP3    H217473   1.558   3.158  -2.876
+ 3722TIP3   OH217474   1.841   3.131  -3.111
+ 3722TIP3    H117475   1.756   3.150  -3.068
+ 3722TIP3    H217476   1.844   3.201  -3.180
+ 3723TIP3   OH217477   2.315   3.131  -3.155
+ 3723TIP3    H117478   2.278   3.176  -3.233
+ 3723TIP3    H217479   2.324   3.205  -3.092
+ 3724TIP3   OH217480   2.549   3.002  -3.063
+ 3724TIP3    H117481   2.464   3.039  -3.096
+ 3724TIP3    H217482   2.605   3.081  -3.065
+ 3725TIP3   OH217483   2.802   3.175  -3.044
+ 3725TIP3    H117484   2.798   3.270  -3.067
+ 3725TIP3    H217485   2.830   3.137  -3.129
+ 3726TIP3   OH217486   1.550   3.034  -3.272
+ 3726TIP3    H117487   1.548   2.985  -3.187
+ 3726TIP3    H217488   1.626   2.990  -3.315
+ 3727TIP3   OH217489   1.752   2.909  -3.429
+ 3727TIP3    H117490   1.736   2.816  -3.401
+ 3727TIP3    H217491   1.843   2.924  -3.396
+ 3728TIP3   OH217492   2.027   2.955  -3.339
+ 3728TIP3    H117493   2.046   2.862  -3.360
+ 3728TIP3    H217494   2.034   2.953  -3.243
+ 3729TIP3   OH217495   2.360   1.544  -3.410
+ 3729TIP3    H117496   2.291   1.477  -3.395
+ 3729TIP3    H217497   2.420   1.498  -3.470
+ 3730TIP3   OH217498   2.855   1.348  -3.362
+ 3730TIP3    H117499   2.931   1.391  -3.405
+ 3730TIP3    H217500   2.780   1.375  -3.418
+ 3731TIP3   OH217501   3.064   1.456  -3.575
+ 3731TIP3    H117502   3.134   1.416  -3.628
+ 3731TIP3    H217503   3.095   1.549  -3.567
+ 3732TIP3   OH217504   1.596   1.416  -3.653
+ 3732TIP3    H117505   1.510   1.404  -3.697
+ 3732TIP3    H217506   1.637   1.329  -3.668
+ 3733TIP3   OH217507   1.476   1.371  -4.079
+ 3733TIP3    H117508   1.533   1.435  -4.127
+ 3733TIP3    H217509   1.440   1.427  -4.008
+ 3734TIP3   OH217510   2.041   1.402  -3.666
+ 3734TIP3    H117511   2.134   1.428  -3.680
+ 3734TIP3    H217512   2.040   1.389  -3.570
+ 3735TIP3   OH217513   2.603   1.402  -3.524
+ 3735TIP3    H117514   2.627   1.387  -3.616
+ 3735TIP3    H217515   2.563   1.317  -3.500
+ 3736TIP3   OH217516   2.706   1.400  -3.920
+ 3736TIP3    H117517   2.628   1.445  -3.956
+ 3736TIP3    H217518   2.674   1.308  -3.914
+ 3737TIP3   OH217519   1.484   2.962  -3.967
+ 3737TIP3    H117520   1.410   2.960  -4.031
+ 3737TIP3    H217521   1.482   3.054  -3.940
+ 3738TIP3   OH217522   1.642   1.546  -4.229
+ 3738TIP3    H117523   1.693   1.483  -4.283
+ 3738TIP3    H217524   1.712   1.589  -4.178
+ 3739TIP3   OH217525   2.155   1.564  -3.959
+ 3739TIP3    H117526   2.194   1.508  -3.891
+ 3739TIP3    H217527   2.178   1.652  -3.924
+ 3740TIP3   OH217528   2.359   3.124  -4.145
+ 3740TIP3    H117529   2.457   3.136  -4.149
+ 3740TIP3    H217530   2.348   3.064  -4.221
+ 3741TIP3   OH217531   3.003   3.045  -3.885
+ 3741TIP3    H117532   2.983   2.962  -3.932
+ 3741TIP3    H217533   2.999   3.111  -3.957
+ 3742TIP3   OH217534   1.575   1.438  -2.701
+ 3742TIP3    H117535   1.535   1.357  -2.664
+ 3742TIP3    H217536   1.667   1.427  -2.673
+ 3743TIP3   OH217537   1.814   1.378  -2.526
+ 3743TIP3    H117538   1.896   1.344  -2.568
+ 3743TIP3    H217539   1.778   1.298  -2.485
+ 3744TIP3   OH217540   1.682   3.068  -4.232
+ 3744TIP3    H117541   1.640   3.095  -4.150
+ 3744TIP3    H217542   1.746   3.001  -4.205
+ 3745TIP3   OH217543   2.626   1.292  -2.509
+ 3745TIP3    H117544   2.629   1.247  -2.422
+ 3745TIP3    H217545   2.720   1.286  -2.536
+ 3746TIP3   OH217546   2.962   2.923  -2.641
+ 3746TIP3    H117547   2.889   2.903  -2.702
+ 3746TIP3    H217548   2.945   3.016  -2.621
+ 3747TIP3   OH217549   4.213   2.197  -3.313
+ 3747TIP3    H117550   4.291   2.228  -3.263
+ 3747TIP3    H217551   4.246   2.197  -3.403
+ 3748TIP3   OH217552   3.515   2.193  -3.152
+ 3748TIP3    H117553   3.514   2.118  -3.089
+ 3748TIP3    H217554   3.587   2.247  -3.117
+ 3749TIP3   OH217555   3.580   2.655  -3.300
+ 3749TIP3    H117556   3.557   2.564  -3.328
+ 3749TIP3    H217557   3.675   2.644  -3.282
+ 3750TIP3   OH217558   3.281   1.996  -3.763
+ 3750TIP3    H117559   3.241   2.084  -3.752
+ 3750TIP3    H217560   3.210   1.948  -3.808
+ 3751TIP3   OH217561   3.360   2.242  -3.579
+ 3751TIP3    H117562   3.376   2.159  -3.529
+ 3751TIP3    H217563   3.445   2.255  -3.624
+ 3752TIP3   OH217564   4.120   2.485  -3.253
+ 3752TIP3    H117565   4.146   2.412  -3.310
+ 3752TIP3    H217566   4.204   2.507  -3.210
+ 3753TIP3   OH217567   3.745   1.720  -3.505
+ 3753TIP3    H117568   3.758   1.806  -3.549
+ 3753TIP3    H217569   3.707   1.669  -3.579
+ 3754TIP3   OH217570   3.412   1.992  -3.453
+ 3754TIP3    H117571   3.475   1.945  -3.397
+ 3754TIP3    H217572   3.420   1.944  -3.537
+ 3755TIP3   OH217573   3.952   2.129  -3.507
+ 3755TIP3    H117574   4.027   2.077  -3.472
+ 3755TIP3    H217575   3.902   2.059  -3.553
+ 3756TIP3   OH217576   3.624   1.598  -3.089
+ 3756TIP3    H117577   3.584   1.649  -3.161
+ 3756TIP3    H217578   3.558   1.612  -3.018
+ 3757TIP3   OH217579   3.915   2.381  -3.074
+ 3757TIP3    H117580   3.843   2.442  -3.049
+ 3757TIP3    H217581   3.980   2.442  -3.114
+ 3758TIP3   OH217582   3.584   1.803  -3.295
+ 3758TIP3    H117583   3.648   1.861  -3.249
+ 3758TIP3    H217584   3.642   1.766  -3.365
+ 3759TIP3   OH217585   3.715   2.573  -3.002
+ 3759TIP3    H117586   3.714   2.664  -3.036
+ 3759TIP3    H217587   3.628   2.570  -2.959
+ 3760TIP3   OH217588   3.345   2.547  -3.918
+ 3760TIP3    H117589   3.327   2.593  -4.002
+ 3760TIP3    H217590   3.364   2.621  -3.856
+ 3761TIP3   OH217591   4.043   1.345  -3.375
+ 3761TIP3    H117592   4.014   1.252  -3.375
+ 3761TIP3    H217593   3.963   1.389  -3.338
+ 3762TIP3   OH217594   4.272   2.224  -3.918
+ 3762TIP3    H117595   4.202   2.293  -3.922
+ 3762TIP3    H217596   4.338   2.264  -3.976
+ 3763TIP3   OH217597   4.286   2.082  -4.213
+ 3763TIP3    H117598   4.352   2.089  -4.142
+ 3763TIP3    H217599   4.302   1.995  -4.247
+ 3764TIP3   OH217600   3.758   2.317  -3.614
+ 3764TIP3    H117601   3.729   2.274  -3.697
+ 3764TIP3    H217602   3.824   2.254  -3.580
+ 3765TIP3   OH217603   3.896   2.656  -3.339
+ 3765TIP3    H117604   3.888   2.619  -3.428
+ 3765TIP3    H217605   3.976   2.612  -3.306
+ 3766TIP3   OH217606   3.815   2.201  -3.267
+ 3766TIP3    H117607   3.876   2.199  -3.344
+ 3766TIP3    H217608   3.857   2.266  -3.209
+ 3767TIP3   OH217609   3.903   2.635  -2.784
+ 3767TIP3    H117610   3.852   2.701  -2.736
+ 3767TIP3    H217611   3.840   2.608  -2.854
+ 3768TIP3   OH217612   3.595   2.269  -2.869
+ 3768TIP3    H117613   3.600   2.330  -2.794
+ 3768TIP3    H217614   3.499   2.259  -2.880
+ 3769TIP3   OH217615   4.251   2.844  -3.699
+ 3769TIP3    H117616   4.299   2.892  -3.630
+ 3769TIP3    H217617   4.199   2.914  -3.740
+ 3770TIP3   OH217618   3.711   2.852  -2.701
+ 3770TIP3    H117619   3.701   2.855  -2.798
+ 3770TIP3    H217620   3.623   2.823  -2.671
+ 3771TIP3   OH217621   3.652   2.192  -3.865
+ 3771TIP3    H117622   3.628   2.269  -3.918
+ 3771TIP3    H217623   3.582   2.130  -3.887
+ 3772TIP3   OH217624   3.255   2.461  -2.989
+ 3772TIP3    H117625   3.212   2.461  -3.077
+ 3772TIP3    H217626   3.269   2.366  -2.974
+ 3773TIP3   OH217627   3.261   2.753  -3.296
+ 3773TIP3    H117628   3.355   2.726  -3.293
+ 3773TIP3    H217629   3.257   2.816  -3.222
+ 3774TIP3   OH217630   4.173   2.735  -2.833
+ 3774TIP3    H117631   4.180   2.824  -2.795
+ 3774TIP3    H217632   4.082   2.709  -2.812
+ 3775TIP3   OH217633   4.183   3.116  -3.846
+ 3775TIP3    H117634   4.206   3.111  -3.940
+ 3775TIP3    H217635   4.211   3.205  -3.821
+ 3776TIP3   OH217636   3.578   3.004  -3.703
+ 3776TIP3    H117637   3.586   3.013  -3.607
+ 3776TIP3    H217638   3.486   3.030  -3.715
+ 3777TIP3   OH217639   3.474   2.620  -2.867
+ 3777TIP3    H117640   3.500   2.572  -2.786
+ 3777TIP3    H217641   3.401   2.566  -2.902
+ 3778TIP3   OH217642   3.797   1.462  -3.291
+ 3778TIP3    H117643   3.714   1.455  -3.341
+ 3778TIP3    H217644   3.776   1.536  -3.232
+ 3779TIP3   OH217645   4.234   1.399  -2.862
+ 3779TIP3    H117646   4.245   1.326  -2.799
+ 3779TIP3    H217647   4.142   1.381  -2.894
+ 3780TIP3   OH217648   4.223   1.669  -4.207
+ 3780TIP3    H117649   4.159   1.666  -4.136
+ 3780TIP3    H217650   4.189   1.603  -4.268
+ 3781TIP3   OH217651   3.779   1.942  -3.149
+ 3781TIP3    H117652   3.720   1.954  -3.072
+ 3781TIP3    H217653   3.787   2.034  -3.184
+ 3782TIP3   OH217654   3.774   1.948  -3.660
+ 3782TIP3    H117655   3.678   1.939  -3.676
+ 3782TIP3    H217656   3.809   1.932  -3.750
+ 3783TIP3   OH217657   4.272   1.999  -3.711
+ 3783TIP3    H117658   4.266   2.093  -3.736
+ 3783TIP3    H217659   4.366   1.990  -3.689
+ 3784TIP3   OH217660   4.252   2.032  -2.626
+ 3784TIP3    H117661   4.195   1.952  -2.613
+ 3784TIP3    H217662   4.338   1.987  -2.629
+ 3785TIP3   OH217663   3.515   1.959  -2.963
+ 3785TIP3    H117664   3.544   1.988  -2.876
+ 3785TIP3    H217665   3.482   1.870  -2.944
+ 3786TIP3   OH217666   3.893   1.693  -4.314
+ 3786TIP3    H117667   3.855   1.673  -4.226
+ 3786TIP3    H217668   3.822   1.750  -4.350
+ 3787TIP3   OH217669   3.200   1.705  -3.600
+ 3787TIP3    H117670   3.261   1.701  -3.525
+ 3787TIP3    H217671   3.250   1.666  -3.673
+ 3788TIP3   OH217672   3.358   1.748  -4.039
+ 3788TIP3    H117673   3.413   1.798  -4.102
+ 3788TIP3    H217674   3.290   1.814  -4.017
+ 3789TIP3   OH217675   4.350   2.084  -3.022
+ 3789TIP3    H117676   4.378   2.018  -3.089
+ 3789TIP3    H217677   4.272   2.040  -2.987
+ 3790TIP3   OH217678   4.047   1.683  -3.553
+ 3790TIP3    H117679   3.954   1.697  -3.532
+ 3790TIP3    H217680   4.089   1.714  -3.471
+ 3791TIP3   OH217681   3.509   1.830  -3.690
+ 3791TIP3    H117682   3.427   1.857  -3.734
+ 3791TIP3    H217683   3.536   1.751  -3.740
+ 3792TIP3   OH217684   3.872   1.865  -3.926
+ 3792TIP3    H117685   3.967   1.881  -3.919
+ 3792TIP3    H217686   3.843   1.925  -3.997
+ 3793TIP3   OH217687   3.731   1.981  -4.157
+ 3793TIP3    H117688   3.667   1.934  -4.213
+ 3793TIP3    H217689   3.803   2.000  -4.219
+ 3794TIP3   OH217690   3.581   2.462  -2.648
+ 3794TIP3    H117691   3.650   2.471  -2.578
+ 3794TIP3    H217692   3.501   2.463  -2.591
+ 3795TIP3   OH217693   4.137   1.917  -3.414
+ 3795TIP3    H117694   4.219   1.893  -3.460
+ 3795TIP3    H217695   4.164   1.913  -3.321
+ 3796TIP3   OH217696   3.684   1.604  -3.764
+ 3796TIP3    H117697   3.627   1.527  -3.746
+ 3796TIP3    H217698   3.767   1.562  -3.792
+ 3797TIP3   OH217699   4.048   1.796  -3.144
+ 3797TIP3    H117700   3.980   1.863  -3.161
+ 3797TIP3    H217701   4.101   1.837  -3.073
+ 3798TIP3   OH217702   4.071   2.428  -3.953
+ 3798TIP3    H117703   3.991   2.387  -3.990
+ 3798TIP3    H217704   4.048   2.443  -3.858
+ 3799TIP3   OH217705   4.206   2.433  -2.832
+ 3799TIP3    H117706   4.183   2.424  -2.740
+ 3799TIP3    H217707   4.214   2.529  -2.845
+ 3800TIP3   OH217708   3.577   2.385  -3.379
+ 3800TIP3    H117709   3.635   2.376  -3.457
+ 3800TIP3    H217710   3.591   2.299  -3.335
+ 3801TIP3   OH217711   4.282   2.574  -4.050
+ 3801TIP3    H117712   4.252   2.666  -4.035
+ 3801TIP3    H217713   4.205   2.524  -4.018
+ 3802TIP3   OH217714   3.303   2.214  -2.851
+ 3802TIP3    H117715   3.321   2.168  -2.766
+ 3802TIP3    H217716   3.244   2.153  -2.897
+ 3803TIP3   OH217717   4.002   2.164  -2.650
+ 3803TIP3    H117718   3.967   2.134  -2.736
+ 3803TIP3    H217719   4.096   2.140  -2.659
+ 3804TIP3   OH217720   3.814   2.715  -3.654
+ 3804TIP3    H117721   3.856   2.802  -3.665
+ 3804TIP3    H217722   3.721   2.738  -3.672
+ 3805TIP3   OH217723   3.424   2.205  -4.200
+ 3805TIP3    H117724   3.479   2.271  -4.153
+ 3805TIP3    H217725   3.334   2.226  -4.167
+ 3806TIP3   OH217726   3.994   2.482  -3.692
+ 3806TIP3    H117727   3.970   2.575  -3.677
+ 3806TIP3    H217728   3.922   2.436  -3.648
+ 3807TIP3   OH217729   4.020   2.913  -3.050
+ 3807TIP3    H117730   4.078   2.983  -3.087
+ 3807TIP3    H217731   4.085   2.861  -3.001
+ 3808TIP3   OH217732   3.856   3.005  -3.734
+ 3808TIP3    H117733   3.758   3.013  -3.726
+ 3808TIP3    H217734   3.885   3.094  -3.708
+ 3809TIP3   OH217735   3.436   1.680  -2.890
+ 3809TIP3    H117736   3.345   1.704  -2.917
+ 3809TIP3    H217737   3.421   1.592  -2.850
+ 3810TIP3   OH217738   3.410   2.861  -3.060
+ 3810TIP3    H117739   3.443   2.772  -3.047
+ 3810TIP3    H217740   3.436   2.903  -2.978
+ 3811TIP3   OH217741   4.012   2.712  -4.333
+ 3811TIP3    H117742   4.077   2.641  -4.348
+ 3811TIP3    H217743   3.972   2.685  -4.248
+ 3812TIP3   OH217744   3.883   2.666  -4.075
+ 3812TIP3    H117745   3.931   2.618  -4.006
+ 3812TIP3    H217746   3.898   2.759  -4.049
+ 3813TIP3   OH217747   3.562   2.410  -4.036
+ 3813TIP3    H117748   3.488   2.451  -3.987
+ 3813TIP3    H217749   3.610   2.489  -4.065
+ 3814TIP3   OH217750   4.339   1.707  -2.982
+ 3814TIP3    H117751   4.381   1.628  -2.948
+ 3814TIP3    H217752   4.274   1.669  -3.043
+ 3815TIP3   OH217753   4.162   2.830  -4.028
+ 3815TIP3    H117754   4.086   2.881  -3.999
+ 3815TIP3    H217755   4.216   2.901  -4.067
+ 3816TIP3   OH217756   4.139   1.791  -3.816
+ 3816TIP3    H117757   4.198   1.865  -3.788
+ 3816TIP3    H217758   4.100   1.773  -3.729
+ 3817TIP3   OH217759   4.163   1.892  -2.895
+ 3817TIP3    H117760   4.183   1.945  -2.817
+ 3817TIP3    H217761   4.236   1.827  -2.898
+ 3818TIP3   OH217762   4.194   1.502  -3.698
+ 3818TIP3    H117763   4.164   1.580  -3.645
+ 3818TIP3    H217764   4.272   1.539  -3.744
+ 3819TIP3   OH217765   3.888   2.947  -4.026
+ 3819TIP3    H117766   3.899   3.032  -4.072
+ 3819TIP3    H217767   3.874   2.976  -3.934
+ 3820TIP3   OH217768   3.770   1.616  -4.081
+ 3820TIP3    H117769   3.761   1.688  -4.016
+ 3820TIP3    H217770   3.844   1.565  -4.044
+ 3821TIP3   OH217771   3.604   2.702  -4.157
+ 3821TIP3    H117772   3.682   2.738  -4.112
+ 3821TIP3    H217773   3.646   2.654  -4.229
+ 3822TIP3   OH217774   3.433   1.923  -4.257
+ 3822TIP3    H117775   3.445   2.018  -4.240
+ 3822TIP3    H217776   3.341   1.921  -4.291
+ 3823TIP3   OH217777   3.517   1.418  -3.371
+ 3823TIP3    H117778   3.498   1.416  -3.467
+ 3823TIP3    H217779   3.483   1.332  -3.340
+ 3824TIP3   OH217780   3.396   2.765  -3.756
+ 3824TIP3    H117781   3.334   2.826  -3.714
+ 3824TIP3    H217782   3.461   2.826  -3.793
+ 3825TIP3   OH217783   3.345   3.059  -2.628
+ 3825TIP3    H117784   3.404   3.031  -2.555
+ 3825TIP3    H217785   3.307   2.974  -2.657
+ 3826TIP3   OH217786   3.814   2.966  -2.451
+ 3826TIP3    H117787   3.882   2.899  -2.429
+ 3826TIP3    H217788   3.790   2.938  -2.541
+ 3827TIP3   OH217789   4.224   2.900  -4.338
+ 3827TIP3    H117790   4.150   2.837  -4.329
+ 3827TIP3    H217791   4.297   2.842  -4.363
+ 3828TIP3   OH217792   3.339   2.420  -2.515
+ 3828TIP3    H117793   3.351   2.331  -2.553
+ 3828TIP3    H217794   3.264   2.453  -2.569
+ 3829TIP3   OH217795   3.765   2.460  -4.315
+ 3829TIP3    H117796   3.792   2.414  -4.234
+ 3829TIP3    H217797   3.848   2.467  -4.366
+ 3830TIP3   OH217798   4.007   2.443  -2.584
+ 3830TIP3    H117799   3.979   2.476  -2.671
+ 3830TIP3    H217800   4.015   2.346  -2.599
+ 3831TIP3   OH217801   4.272   2.576  -4.350
+ 3831TIP3    H117802   4.323   2.613  -4.275
+ 3831TIP3    H217803   4.333   2.509  -4.383
+ 3832TIP3   OH217804   3.426   2.133  -2.599
+ 3832TIP3    H117805   3.501   2.072  -2.600
+ 3832TIP3    H217806   3.423   2.157  -2.505
+ 3833TIP3   OH217807   3.866   2.273  -4.093
+ 3833TIP3    H117808   3.806   2.228  -4.031
+ 3833TIP3    H217809   3.901   2.197  -4.144
+ 3834TIP3   OH217810   3.795   2.052  -2.854
+ 3834TIP3    H117811   3.739   2.130  -2.837
+ 3834TIP3    H217812   3.853   2.085  -2.925
+ 3835TIP3   OH217813   4.000   2.063  -4.269
+ 3835TIP3    H117814   3.979   2.076  -4.363
+ 3835TIP3    H217815   4.090   2.097  -4.260
+ 3836TIP3   OH217816   4.283   2.298  -2.484
+ 3836TIP3    H117817   4.353   2.267  -2.543
+ 3836TIP3    H217818   4.267   2.217  -2.433
+ 3837TIP3   OH217819   3.856   1.780  -2.740
+ 3837TIP3    H117820   3.862   1.714  -2.812
+ 3837TIP3    H217821   3.838   1.861  -2.791
+ 3838TIP3   OH217822   3.886   1.623  -2.998
+ 3838TIP3    H117823   3.937   1.681  -3.059
+ 3838TIP3    H217824   3.795   1.628  -3.033
+ 3839TIP3   OH217825   4.066   2.163  -2.966
+ 3839TIP3    H117826   4.136   2.163  -3.033
+ 3839TIP3    H217827   4.029   2.252  -2.978
+ 3840TIP3   OH217828   3.673   1.961  -2.561
+ 3840TIP3    H117829   3.620   1.879  -2.564
+ 3840TIP3    H217830   3.754   1.933  -2.607
+ 3841TIP3   OH217831   3.972   1.362  -2.962
+ 3841TIP3    H117832   3.948   1.455  -2.979
+ 3841TIP3    H217833   3.905   1.315  -3.016
+ 3842TIP3   OH217834   4.103   1.807  -2.586
+ 3842TIP3    H117835   4.062   1.782  -2.501
+ 3842TIP3    H217836   4.030   1.785  -2.646
+ 3843TIP3   OH217837   3.538   1.709  -2.579
+ 3843TIP3    H117838   3.532   1.638  -2.645
+ 3843TIP3    H217839   3.518   1.661  -2.497
+ 3844TIP3   OH217840   3.945   1.309  -2.679
+ 3844TIP3    H117841   4.003   1.232  -2.673
+ 3844TIP3    H217842   3.942   1.324  -2.775
+ 3845TIP3   OH217843   4.036   1.489  -2.486
+ 3845TIP3    H117844   4.006   1.433  -2.560
+ 3845TIP3    H217845   3.972   1.562  -2.487
+ 3846TIP3   OH217846   3.960   3.193  -4.175
+ 3846TIP3    H117847   4.053   3.212  -4.159
+ 3846TIP3    H217848   3.935   3.261  -4.240
+ 3847TIP3   OH217849   3.331   2.605  -4.200
+ 3847TIP3    H117850   3.422   2.641  -4.194
+ 3847TIP3    H217851   3.336   2.548  -4.278
+ 3848TIP3   OH217852   3.251   3.136  -3.753
+ 3848TIP3    H117853   3.158   3.112  -3.771
+ 3848TIP3    H217854   3.263   3.105  -3.661
+ 3849TIP3   OH217855   3.275   2.958  -3.517
+ 3849TIP3    H117856   3.251   2.874  -3.475
+ 3849TIP3    H217857   3.305   3.008  -3.439
+ 3850TIP3   OH217858   3.280   2.291  -3.280
+ 3850TIP3    H117859   3.305   2.299  -3.373
+ 3850TIP3    H217860   3.368   2.271  -3.240
+ 3851TIP3   OH217861   3.273   1.828  -2.638
+ 3851TIP3    H117862   3.366   1.801  -2.637
+ 3851TIP3    H217863   3.228   1.741  -2.633
+ 3852TIP3   OH217864   3.349   1.661  -3.360
+ 3852TIP3    H117865   3.395   1.576  -3.351
+ 3852TIP3    H217866   3.417   1.722  -3.325
+ 3853TIP3   OH217867   3.204   1.929  -3.254
+ 3853TIP3    H117868   3.261   1.925  -3.333
+ 3853TIP3    H217869   3.240   2.006  -3.209
+ 3854TIP3   OH217870   3.252   1.564  -3.852
+ 3854TIP3    H117871   3.157   1.565  -3.871
+ 3854TIP3    H217872   3.289   1.623  -3.920
+ 3855TIP3   OH217873   3.257   1.453  -3.033
+ 3855TIP3    H117874   3.186   1.423  -2.975
+ 3855TIP3    H217875   3.207   1.503  -3.100
+ 3856TIP3   OH217876   3.456   2.757  -2.567
+ 3856TIP3    H117877   3.383   2.759  -2.631
+ 3856TIP3    H217878   3.409   2.757  -2.482
+ 3857TIP3   OH217879   3.741   2.859  -2.999
+ 3857TIP3    H117880   3.710   2.944  -3.033
+ 3857TIP3    H217881   3.837   2.869  -3.016
+ 3858TIP3   OH217882   4.219   3.023  -2.710
+ 3858TIP3    H117883   4.205   2.985  -2.621
+ 3858TIP3    H217884   4.314   3.043  -2.704
+ 3859TIP3   OH217885   3.480   3.154  -2.961
+ 3859TIP3    H117886   3.422   3.213  -3.013
+ 3859TIP3    H217887   3.438   3.160  -2.875
+ 3860TIP3   OH217888   3.738   3.139  -3.103
+ 3860TIP3    H117889   3.649   3.151  -3.065
+ 3860TIP3    H217890   3.731   3.190  -3.186
+ 3861TIP3   OH217891   4.196   3.108  -3.156
+ 3861TIP3    H117892   4.172   3.160  -3.234
+ 3861TIP3    H217893   4.253   3.168  -3.107
+ 3862TIP3   OH217894   3.437   3.070  -3.272
+ 3862TIP3    H117895   3.443   3.007  -3.198
+ 3862TIP3    H217896   3.509   3.040  -3.330
+ 3863TIP3   OH217897   3.631   2.913  -3.423
+ 3863TIP3    H117898   3.616   2.819  -3.401
+ 3863TIP3    H217899   3.724   2.926  -3.397
+ 3864TIP3   OH217900   3.914   2.960  -3.340
+ 3864TIP3    H117901   3.933   2.868  -3.364
+ 3864TIP3    H217902   3.920   2.955  -3.243
+ 3865TIP3   OH217903   4.270   1.506  -3.404
+ 3865TIP3    H117904   4.182   1.465  -3.394
+ 3865TIP3    H217905   4.294   1.476  -3.492
+ 3866TIP3   OH217906   3.483   1.416  -3.654
+ 3866TIP3    H117907   3.395   1.404  -3.697
+ 3866TIP3    H217908   3.523   1.329  -3.668
+ 3867TIP3   OH217909   3.360   1.372  -4.082
+ 3867TIP3    H117910   3.418   1.437  -4.127
+ 3867TIP3    H217911   3.325   1.424  -4.008
+ 3868TIP3   OH217912   3.933   1.397  -3.665
+ 3868TIP3    H117913   4.025   1.429  -3.672
+ 3868TIP3    H217914   3.924   1.390  -3.569
+ 3869TIP3   OH217915   3.374   2.966  -3.983
+ 3869TIP3    H117916   3.293   2.967  -4.035
+ 3869TIP3    H217917   3.362   3.043  -3.926
+ 3870TIP3   OH217918   3.527   1.543  -4.231
+ 3870TIP3    H117919   3.585   1.485  -4.283
+ 3870TIP3    H217920   3.592   1.595  -4.181
+ 3871TIP3   OH217921   4.062   1.561  -3.965
+ 3871TIP3    H117922   4.067   1.506  -3.886
+ 3871TIP3    H217923   4.059   1.650  -3.926
+ 3872TIP3   OH217924   4.261   3.068  -4.123
+ 3872TIP3    H117925   4.317   3.146  -4.149
+ 3872TIP3    H217926   4.244   3.031  -4.213
+ 3873TIP3   OH217927   3.460   1.439  -2.699
+ 3873TIP3    H117928   3.420   1.357  -2.665
+ 3873TIP3    H217929   3.553   1.426  -2.673
+ 3874TIP3   OH217930   3.698   1.377  -2.527
+ 3874TIP3    H117931   3.781   1.342  -2.566
+ 3874TIP3    H217932   3.663   1.298  -2.484
+ 3875TIP3   OH217933   3.567   3.068  -4.231
+ 3875TIP3    H117934   3.525   3.090  -4.146
+ 3875TIP3    H217935   3.634   3.004  -4.206
+ 3876TIP3   OH217936  -3.158   4.203  -3.646
+ 3876TIP3    H117937  -3.188   4.295  -3.645
+ 3876TIP3    H217938  -3.231   4.160  -3.693
+ 3877TIP3   OH217939  -3.281   4.133  -3.317
+ 3877TIP3    H117940  -3.275   4.080  -3.236
+ 3877TIP3    H217941  -3.303   4.067  -3.384
+ 3878TIP3   OH217942  -4.023   4.077  -3.161
+ 3878TIP3    H117943  -4.035   4.008  -3.094
+ 3878TIP3    H217944  -3.965   4.138  -3.114
+ 3879TIP3   OH217945  -4.200   3.931  -3.847
+ 3879TIP3    H117946  -4.244   4.010  -3.813
+ 3879TIP3    H217947  -4.268   3.888  -3.901
+ 3880TIP3   OH217948  -4.199   4.123  -3.595
+ 3880TIP3    H117949  -4.192   4.052  -3.529
+ 3880TIP3    H217950  -4.106   4.139  -3.613
+ 3881TIP3   OH217951  -2.560   3.523  -3.199
+ 3881TIP3    H117952  -2.535   3.584  -3.128
+ 3881TIP3    H217953  -2.498   3.551  -3.270
+ 3882TIP3   OH217954  -3.096   3.804  -3.212
+ 3882TIP3    H117955  -3.082   3.708  -3.207
+ 3882TIP3    H217956  -3.105   3.817  -3.307
+ 3883TIP3   OH217957  -3.800   3.605  -3.505
+ 3883TIP3    H117958  -3.786   3.690  -3.551
+ 3883TIP3    H217959  -3.833   3.551  -3.580
+ 3884TIP3   OH217960  -3.016   3.621  -3.674
+ 3884TIP3    H117961  -2.958   3.578  -3.608
+ 3884TIP3    H217962  -2.949   3.665  -3.729
+ 3885TIP3   OH217963  -4.141   3.877  -3.452
+ 3885TIP3    H117964  -4.077   3.839  -3.389
+ 3885TIP3    H217965  -4.120   3.825  -3.532
+ 3886TIP3   OH217966  -3.589   4.017  -3.506
+ 3886TIP3    H117967  -3.522   3.959  -3.467
+ 3886TIP3    H217968  -3.644   3.953  -3.554
+ 3887TIP3   OH217969  -2.488   3.659  -2.951
+ 3887TIP3    H117970  -2.546   3.732  -2.980
+ 3887TIP3    H217971  -2.507   3.658  -2.856
+ 3888TIP3   OH217972  -3.918   3.487  -3.088
+ 3888TIP3    H117973  -3.963   3.531  -3.161
+ 3888TIP3    H217974  -3.981   3.504  -3.014
+ 3889TIP3   OH217975  -3.648   4.268  -3.109
+ 3889TIP3    H117976  -3.728   4.323  -3.108
+ 3889TIP3    H217977  -3.581   4.337  -3.119
+ 3890TIP3   OH217978  -2.832   3.547  -3.470
+ 3890TIP3    H117979  -2.871   3.488  -3.404
+ 3890TIP3    H217980  -2.780   3.607  -3.414
+ 3891TIP3   OH217981  -3.958   3.692  -3.297
+ 3891TIP3    H117982  -3.894   3.749  -3.250
+ 3891TIP3    H217983  -3.901   3.655  -3.367
+ 3892TIP3   OH217984  -2.818   3.460  -3.085
+ 3892TIP3    H117985  -2.895   3.501  -3.130
+ 3892TIP3    H217986  -2.745   3.481  -3.147
+ 3893TIP3   OH217987  -3.505   3.233  -3.380
+ 3893TIP3    H117988  -3.528   3.138  -3.385
+ 3893TIP3    H217989  -3.588   3.271  -3.343
+ 3894TIP3   OH217990  -3.303   4.141  -3.909
+ 3894TIP3    H117991  -3.368   4.181  -3.968
+ 3894TIP3    H217992  -3.226   4.135  -3.968
+ 3895TIP3   OH217993  -3.272   3.949  -4.201
+ 3895TIP3    H117994  -3.200   3.981  -4.144
+ 3895TIP3    H217995  -3.222   3.889  -4.260
+ 3896TIP3   OH217996  -2.556   4.055  -3.081
+ 3896TIP3    H117997  -2.620   4.128  -3.067
+ 3896TIP3    H217998  -2.504   4.094  -3.155
+ 3897TIP3   OH217999  -2.937   4.140  -3.807
+ 3897TIP3    H118000  -3.002   4.161  -3.738
+ 3897TIP3    H218001  -2.870   4.089  -3.757
+ 3898TIP3   OH218002  -2.963   3.980  -2.912
+ 3898TIP3    H118003  -2.959   4.057  -2.852
+ 3898TIP3    H218004  -3.018   4.018  -2.983
+ 3899TIP3   OH218005  -3.774   4.216  -3.614
+ 3899TIP3    H118006  -3.802   4.182  -3.701
+ 3899TIP3    H218007  -3.704   4.153  -3.589
+ 3900TIP3   OH218008  -3.732   4.076  -3.275
+ 3900TIP3    H118009  -3.670   4.076  -3.351
+ 3900TIP3    H218010  -3.696   4.145  -3.217
+ 3901TIP3   OH218011  -3.039   4.078  -4.056
+ 3901TIP3    H118012  -2.988   4.102  -3.975
+ 3901TIP3    H218013  -2.978   4.109  -4.126
+ 3902TIP3   OH218014  -3.957   4.144  -2.874
+ 3902TIP3    H118015  -3.949   4.202  -2.795
+ 3902TIP3    H218016  -4.047   4.169  -2.904
+ 3903TIP3   OH218017  -2.693   3.237  -4.075
+ 3903TIP3    H118018  -2.789   3.248  -4.057
+ 3903TIP3    H218019  -2.669   3.327  -4.102
+ 3904TIP3   OH218020  -3.896   4.084  -3.861
+ 3904TIP3    H118021  -3.916   4.163  -3.916
+ 3904TIP3    H218022  -3.966   4.023  -3.888
+ 3905TIP3   OH218023  -4.201   4.274  -2.997
+ 3905TIP3    H118024  -4.256   4.317  -3.064
+ 3905TIP3    H218025  -4.265   4.243  -2.931
+ 3906TIP3   OH218026  -2.765   3.837  -2.678
+ 3906TIP3    H118027  -2.814   3.875  -2.752
+ 3906TIP3    H218028  -2.759   3.743  -2.705
+ 3907TIP3   OH218029  -3.749   3.347  -3.289
+ 3907TIP3    H118030  -3.831   3.340  -3.340
+ 3907TIP3    H218031  -3.771   3.422  -3.231
+ 3908TIP3   OH218032  -3.311   3.306  -2.924
+ 3908TIP3    H118033  -3.258   3.254  -2.861
+ 3908TIP3    H218034  -3.401   3.272  -2.911
+ 3909TIP3   OH218035  -2.995   3.685  -2.873
+ 3909TIP3    H118036  -3.055   3.671  -2.798
+ 3909TIP3    H218037  -3.001   3.781  -2.889
+ 3910TIP3   OH218038  -2.841   4.146  -4.251
+ 3910TIP3    H118039  -2.858   4.154  -4.346
+ 3910TIP3    H218040  -2.794   4.229  -4.233
+ 3911TIP3   OH218041  -3.327   3.544  -4.215
+ 3911TIP3    H118042  -3.385   3.550  -4.139
+ 3911TIP3    H218043  -3.373   3.478  -4.268
+ 3912TIP3   OH218044  -3.761   3.827  -3.147
+ 3912TIP3    H118045  -3.821   3.839  -3.072
+ 3912TIP3    H218046  -3.755   3.918  -3.185
+ 3913TIP3   OH218047  -3.770   3.832  -3.661
+ 3913TIP3    H118048  -3.865   3.830  -3.680
+ 3913TIP3    H218049  -3.734   3.817  -3.751
+ 3914TIP3   OH218050  -3.198   3.896  -3.784
+ 3914TIP3    H118051  -3.245   3.972  -3.823
+ 3914TIP3    H218052  -3.135   3.872  -3.855
+ 3915TIP3   OH218053  -3.288   3.921  -2.639
+ 3915TIP3    H118054  -3.337   3.843  -2.607
+ 3915TIP3    H218055  -3.198   3.905  -2.602
+ 3916TIP3   OH218056  -3.123   3.829  -3.507
+ 3916TIP3    H118057  -3.147   3.884  -3.584
+ 3916TIP3    H218058  -3.099   3.747  -3.554
+ 3917TIP3   OH218059  -4.028   3.843  -2.964
+ 3917TIP3    H118060  -3.996   3.884  -2.883
+ 3917TIP3    H218061  -4.050   3.753  -2.935
+ 3918TIP3   OH218062  -3.649   3.586  -4.302
+ 3918TIP3    H118063  -3.697   3.552  -4.225
+ 3918TIP3    H218064  -3.721   3.635  -4.348
+ 3919TIP3   OH218065  -4.335   3.599  -3.606
+ 3919TIP3    H118066  -4.308   3.577  -3.515
+ 3919TIP3    H218067  -4.279   3.541  -3.660
+ 3920TIP3   OH218068  -4.209   3.683  -4.020
+ 3920TIP3    H118069  -4.151   3.661  -4.094
+ 3920TIP3    H218070  -4.297   3.671  -4.057
+ 3921TIP3   OH218071  -3.226   3.997  -3.062
+ 3921TIP3    H118072  -3.171   3.930  -3.110
+ 3921TIP3    H218073  -3.251   3.946  -2.983
+ 3922TIP3   OH218074  -3.490   3.594  -3.557
+ 3922TIP3    H118075  -3.584   3.590  -3.534
+ 3922TIP3    H218076  -3.448   3.575  -3.471
+ 3923TIP3   OH218077  -4.047   3.715  -3.691
+ 3923TIP3    H118078  -4.111   3.739  -3.760
+ 3923TIP3    H218079  -4.004   3.636  -3.730
+ 3924TIP3   OH218080  -3.673   3.755  -3.923
+ 3924TIP3    H118081  -3.576   3.761  -3.918
+ 3924TIP3    H218082  -3.697   3.813  -3.997
+ 3925TIP3   OH218083  -3.052   3.507  -3.255
+ 3925TIP3    H118084  -3.116   3.508  -3.181
+ 3925TIP3    H218085  -3.110   3.474  -3.326
+ 3926TIP3   OH218086  -3.815   3.870  -4.160
+ 3926TIP3    H118087  -3.870   3.815  -4.219
+ 3926TIP3    H218088  -3.739   3.887  -4.217
+ 3927TIP3   OH218089  -3.956   4.306  -2.659
+ 3927TIP3    H118090  -3.889   4.354  -2.608
+ 3927TIP3    H218091  -4.035   4.321  -2.602
+ 3928TIP3   OH218092  -3.391   3.849  -3.376
+ 3928TIP3    H118093  -3.314   3.808  -3.420
+ 3928TIP3    H218094  -3.403   3.789  -3.299
+ 3929TIP3   OH218095  -3.870   3.485  -3.750
+ 3929TIP3    H118096  -3.915   3.400  -3.751
+ 3929TIP3    H218097  -3.791   3.465  -3.802
+ 3930TIP3   OH218098  -3.492   3.693  -3.151
+ 3930TIP3    H118099  -3.569   3.753  -3.149
+ 3930TIP3    H218100  -3.442   3.720  -3.072
+ 3931TIP3   OH218101  -3.513   4.362  -3.941
+ 3931TIP3    H118102  -3.560   4.295  -3.994
+ 3931TIP3    H218103  -3.473   4.312  -3.870
+ 3932TIP3   OH218104  -2.732   4.266  -3.093
+ 3932TIP3    H118105  -2.705   4.311  -3.175
+ 3932TIP3    H218106  -2.827   4.256  -3.113
+ 3933TIP3   OH218107  -3.062   3.610  -4.182
+ 3933TIP3    H118108  -3.160   3.608  -4.186
+ 3933TIP3    H218109  -3.042   3.687  -4.125
+ 3934TIP3   OH218110  -3.001   3.796  -3.984
+ 3934TIP3    H118111  -2.914   3.776  -3.945
+ 3934TIP3    H218112  -2.984   3.880  -4.030
+ 3935TIP3   OH218113  -3.972   4.219  -3.421
+ 3935TIP3    H118114  -3.889   4.232  -3.470
+ 3935TIP3    H218115  -3.944   4.162  -3.347
+ 3936TIP3   OH218116  -4.290   4.105  -2.805
+ 3936TIP3    H118117  -4.234   4.050  -2.747
+ 3936TIP3    H218118  -4.295   4.051  -2.887
+ 3937TIP3   OH218119  -3.542   4.049  -2.651
+ 3937TIP3    H118120  -3.575   4.027  -2.740
+ 3937TIP3    H218121  -3.447   4.027  -2.661
+ 3938TIP3   OH218122  -2.529   3.806  -3.998
+ 3938TIP3    H118123  -2.591   3.786  -4.071
+ 3938TIP3    H218124  -2.517   3.900  -4.017
+ 3939TIP3   OH218125  -2.989   4.182  -3.227
+ 3939TIP3    H118126  -3.080   4.181  -3.259
+ 3939TIP3    H218127  -2.941   4.134  -3.296
+ 3940TIP3   OH218128  -4.153   4.084  -4.160
+ 3940TIP3    H118129  -4.080   4.145  -4.145
+ 3940TIP3    H218130  -4.223   4.145  -4.186
+ 3941TIP3   OH218131  -4.100   3.572  -2.887
+ 3941TIP3    H118132  -4.186   3.612  -2.910
+ 3941TIP3    H218133  -4.123   3.487  -2.846
+ 3942TIP3   OH218134  -3.961  -4.395  -4.009
+ 3942TIP3    H118135  -4.053  -4.361  -4.014
+ 3942TIP3    H218136  -3.912  -4.320  -4.046
+ 3943TIP3   OH218137  -3.211   3.549  -3.035
+ 3943TIP3    H118138  -3.148   3.576  -2.966
+ 3943TIP3    H218139  -3.259   3.475  -2.993
+ 3944TIP3   OH218140  -3.150   3.503  -3.920
+ 3944TIP3    H118141  -3.119   3.551  -3.999
+ 3944TIP3    H218142  -3.097   3.544  -3.850
+ 3945TIP3   OH218143  -3.406   3.696  -3.814
+ 3945TIP3    H118144  -3.325   3.749  -3.799
+ 3945TIP3    H218145  -3.434   3.677  -3.723
+ 3946TIP3   OH218146  -3.367   3.791  -2.897
+ 3946TIP3    H118147  -3.360   3.840  -2.813
+ 3946TIP3    H218148  -3.316   3.711  -2.876
+ 3947TIP3   OH218149  -3.342   3.396  -3.724
+ 3947TIP3    H118150  -3.362   3.464  -3.657
+ 3947TIP3    H218151  -3.271   3.439  -3.775
+ 3948TIP3   OH218152  -3.772   3.496  -4.062
+ 3948TIP3    H118153  -3.768   3.580  -4.014
+ 3948TIP3    H218154  -3.688   3.453  -4.037
+ 3949TIP3   OH218155  -2.741   3.584  -2.809
+ 3949TIP3    H118156  -2.837   3.597  -2.826
+ 3949TIP3    H218157  -2.714   3.563  -2.900
+ 3950TIP3   OH218158  -2.888   3.967  -3.415
+ 3950TIP3    H118159  -2.972   3.921  -3.434
+ 3950TIP3    H218160  -2.840   3.900  -3.362
+ 3951TIP3   OH218161  -4.097   3.823  -4.292
+ 3951TIP3    H118162  -4.098   3.896  -4.228
+ 3951TIP3    H218163  -4.185   3.784  -4.282
+ 3952TIP3   OH218164  -4.028   3.296  -3.373
+ 3952TIP3    H118165  -4.057   3.293  -3.466
+ 3952TIP3    H218166  -4.069   3.215  -3.336
+ 3953TIP3   OH218167  -4.199   4.346  -2.549
+ 3953TIP3    H118168  -4.194   4.249  -2.546
+ 3953TIP3    H218169  -4.294   4.361  -2.533
+ 3954TIP3   OH218170  -3.588   4.329  -2.612
+ 3954TIP3    H118171  -3.584   4.346  -2.708
+ 3954TIP3    H218172  -3.551   4.238  -2.608
+ 3955TIP3   OH218173  -2.985  -4.376  -2.838
+ 3955TIP3    H118174  -2.905  -4.333  -2.872
+ 3955TIP3    H218175  -3.052  -4.309  -2.856
+ 3956TIP3   OH218176  -4.133   4.019  -2.585
+ 3956TIP3    H118177  -4.052   3.967  -2.597
+ 3956TIP3    H218178  -4.128   4.039  -2.491
+ 3957TIP3   OH218179  -3.656   4.156  -4.082
+ 3957TIP3    H118180  -3.730   4.122  -4.030
+ 3957TIP3    H218181  -3.641   4.084  -4.146
+ 3958TIP3   OH218182  -3.748   3.933  -2.854
+ 3958TIP3    H118183  -3.805   4.010  -2.836
+ 3958TIP3    H218184  -3.684   3.970  -2.917
+ 3959TIP3   OH218185  -3.555   3.967  -4.278
+ 3959TIP3    H118186  -3.549   3.942  -4.371
+ 3959TIP3    H218187  -3.460   3.969  -4.254
+ 3960TIP3   OH218188  -3.220   4.215  -2.500
+ 3960TIP3    H118189  -3.131   4.197  -2.534
+ 3960TIP3    H218190  -3.251   4.129  -2.473
+ 3961TIP3   OH218191  -3.692   3.662  -2.741
+ 3961TIP3    H118192  -3.683   3.597  -2.813
+ 3961TIP3    H218193  -3.711   3.744  -2.790
+ 3962TIP3   OH218194  -3.656   3.511  -2.996
+ 3962TIP3    H118195  -3.604   3.562  -3.061
+ 3962TIP3    H218196  -3.747   3.514  -3.033
+ 3963TIP3   OH218197  -3.507   4.066  -2.966
+ 3963TIP3    H118198  -3.423   4.054  -3.013
+ 3963TIP3    H218199  -3.541   4.148  -3.007
+ 3964TIP3   OH218200  -3.043   3.849  -2.478
+ 3964TIP3    H118201  -3.021   3.755  -2.467
+ 3964TIP3    H218202  -2.954   3.888  -2.484
+ 3965TIP3   OH218203  -2.948   4.136  -2.644
+ 3965TIP3    H118204  -2.971   4.208  -2.707
+ 3965TIP3    H218205  -2.856   4.118  -2.671
+ 3966TIP3   OH218206  -3.881   3.854  -2.565
+ 3966TIP3    H118207  -3.931   3.771  -2.564
+ 3966TIP3    H218208  -3.798   3.828  -2.607
+ 3967TIP3   OH218209  -3.586   3.243  -2.961
+ 3967TIP3    H118210  -3.602   3.338  -2.978
+ 3967TIP3    H218211  -3.656   3.201  -3.015
+ 3968TIP3   OH218212  -3.458   3.701  -2.583
+ 3968TIP3    H118213  -3.492   3.681  -2.494
+ 3968TIP3    H218214  -3.538   3.681  -2.636
+ 3969TIP3   OH218215  -3.205   3.607  -2.696
+ 3969TIP3    H118216  -3.293   3.611  -2.654
+ 3969TIP3    H218217  -3.159   3.543  -2.638
+ 3970TIP3   OH218218  -3.021   3.454  -2.524
+ 3970TIP3    H118219  -3.036   3.359  -2.507
+ 3970TIP3    H218220  -3.038   3.494  -2.437
+ 3971TIP3   OH218221  -4.017   3.598  -2.580
+ 3971TIP3    H118222  -4.016   3.524  -2.644
+ 3971TIP3    H218223  -4.032   3.551  -2.496
+ 3972TIP3   OH218224  -3.601   3.192  -2.680
+ 3972TIP3    H118225  -3.542   3.115  -2.675
+ 3972TIP3    H218226  -3.604   3.207  -2.777
+ 3973TIP3   OH218227  -3.507   3.378  -2.494
+ 3973TIP3    H118228  -3.536   3.319  -2.567
+ 3973TIP3    H218229  -3.575   3.446  -2.493
+ 3974TIP3   OH218230  -2.566   4.365  -3.891
+ 3974TIP3    H118231  -2.472   4.364  -3.911
+ 3974TIP3    H218232  -2.582   4.278  -3.851
+ 3975TIP3   OH218233  -2.532   4.131  -3.733
+ 3975TIP3    H118234  -2.608   4.087  -3.691
+ 3975TIP3    H218235  -2.473   4.150  -3.657
+ 3976TIP3   OH218236  -2.514   4.106  -4.106
+ 3976TIP3    H118237  -2.576   4.139  -4.173
+ 3976TIP3    H218238  -2.527   4.172  -4.037
+ 3977TIP3   OH218239  -2.690   3.848  -4.212
+ 3977TIP3    H118240  -2.663   3.920  -4.271
+ 3977TIP3    H218241  -2.658   3.770  -4.259
+ 3978TIP3   OH218242  -2.758   3.966  -3.658
+ 3978TIP3    H118243  -2.760   3.870  -3.672
+ 3978TIP3    H218244  -2.793   3.973  -3.566
+ 3979TIP3   OH218245  -4.264   4.191  -3.274
+ 3979TIP3    H118246  -4.226   4.188  -3.363
+ 3979TIP3    H218247  -4.188   4.166  -3.219
+ 3980TIP3   OH218248  -2.673   4.161  -2.734
+ 3980TIP3    H118249  -2.600   4.100  -2.710
+ 3980TIP3    H218250  -2.628   4.244  -2.761
+ 3981TIP3   OH218251  -2.530   3.965  -2.619
+ 3981TIP3    H118252  -2.610   3.912  -2.637
+ 3981TIP3    H218253  -2.461   3.897  -2.616
+ 3982TIP3   OH218254  -2.768   3.547  -4.323
+ 3982TIP3    H118255  -2.708   3.502  -4.261
+ 3982TIP3    H218256  -2.849   3.493  -4.320
+ 3983TIP3   OH218257  -2.766   3.710  -3.836
+ 3983TIP3    H118258  -2.740   3.615  -3.828
+ 3983TIP3    H218259  -2.685   3.747  -3.873
+ 3984TIP3   OH218260  -2.737   3.768  -3.289
+ 3984TIP3    H118261  -2.639   3.779  -3.291
+ 3984TIP3    H218262  -2.751   3.771  -3.193
+ 3985TIP3   OH218263  -2.720   3.838  -3.005
+ 3985TIP3    H118264  -2.806   3.876  -2.982
+ 3985TIP3    H218265  -2.668   3.917  -3.030
+ 3986TIP3   OH218266  -4.288   3.706  -2.654
+ 3986TIP3    H118267  -4.199   3.669  -2.645
+ 3986TIP3    H218268  -4.346   3.634  -2.626
+ 3987TIP3   OH218269  -2.465   3.251  -2.478
+ 3987TIP3    H118270  -2.422   3.184  -2.534
+ 3987TIP3    H218271  -2.462   3.330  -2.536
+ 3988TIP3   OH218272  -2.716   3.434  -3.831
+ 3988TIP3    H118273  -2.701   3.397  -3.742
+ 3988TIP3    H218274  -2.790   3.380  -3.862
+ 3989TIP3   OH218275  -4.197   3.555  -3.324
+ 3989TIP3    H118276  -4.160   3.466  -3.332
+ 3989TIP3    H218277  -4.117   3.609  -3.314
+ 3990TIP3   OH218278  -4.357   3.826  -3.264
+ 3990TIP3    H118279  -4.312   3.765  -3.324
+ 3990TIP3    H218280  -4.306   3.907  -3.279
+ 3991TIP3   OH218281  -2.526   3.457  -2.653
+ 3991TIP3    H118282  -2.614   3.500  -2.649
+ 3991TIP3    H218283  -2.537   3.403  -2.733
+ 3992TIP3   OH218284  -2.513   3.472  -4.176
+ 3992TIP3    H118285  -2.485   3.401  -4.233
+ 3992TIP3    H218286  -2.431   3.523  -4.167
+ 3993TIP3   OH218287  -4.313   3.437  -3.873
+ 3993TIP3    H118288  -4.386   3.436  -3.937
+ 3993TIP3    H218289  -4.241   3.461  -3.934
+ 3994TIP3   OH218290  -4.290   3.330  -3.056
+ 3994TIP3    H118291  -4.358   3.319  -2.986
+ 3994TIP3    H218292  -4.337   3.372  -3.129
+ 3995TIP3   OH218293  -2.640   3.280  -2.854
+ 3995TIP3    H118294  -2.720   3.301  -2.907
+ 3995TIP3    H218295  -2.618   3.191  -2.888
+ 3996TIP3   OH218296  -3.297   3.430  -3.409
+ 3996TIP3    H118297  -3.366   3.362  -3.395
+ 3996TIP3    H218298  -3.236   3.384  -3.469
+ 3997TIP3   OH218299  -2.802   3.232  -3.363
+ 3997TIP3    H118300  -2.726   3.276  -3.403
+ 3997TIP3    H218301  -2.876   3.263  -3.418
+ 3998TIP3   OH218302  -2.595   3.342  -3.578
+ 3998TIP3    H118303  -2.522   3.300  -3.626
+ 3998TIP3    H218304  -2.562   3.434  -3.567
+ 3999TIP3   OH218305  -4.106   3.286  -3.649
+ 3999TIP3    H118306  -4.176   3.271  -3.713
+ 3999TIP3    H218307  -4.046   3.211  -3.666
+ 4000TIP3   OH218308  -3.614   3.282  -3.665
+ 4000TIP3    H118309  -3.523   3.314  -3.679
+ 4000TIP3    H218310  -3.616   3.275  -3.569
+ 4001TIP3   OH218311  -3.054   3.288  -3.524
+ 4001TIP3    H118312  -3.030   3.274  -3.617
+ 4001TIP3    H218313  -3.093   3.202  -3.500
+ 4002TIP3   OH218314  -2.950   3.286  -3.919
+ 4002TIP3    H118315  -3.028   3.334  -3.952
+ 4002TIP3    H218316  -2.983   3.195  -3.918
+ 4003TIP3   OH218317  -3.976   3.463  -4.267
+ 4003TIP3    H118318  -3.991   3.368  -4.275
+ 4003TIP3    H218319  -3.946   3.471  -4.176
+ 4004TIP3   OH218320  -3.504   3.447  -3.959
+ 4004TIP3    H118321  -3.464   3.394  -3.889
+ 4004TIP3    H218322  -3.478   3.536  -3.929
+ 4005TIP3   OH218323  -4.079   3.327  -2.703
+ 4005TIP3    H118324  -4.124   3.251  -2.662
+ 4005TIP3    H218325  -3.988   3.312  -2.673
+ 4006TIP3   OH218326  -3.844   3.264  -2.527
+ 4006TIP3    H118327  -3.762   3.229  -2.567
+ 4006TIP3    H218328  -3.878   3.185  -2.482
+ 4007TIP3   OH218329  -3.031   3.174  -2.510
+ 4007TIP3    H118330  -3.026   3.133  -2.421
+ 4007TIP3    H218331  -2.937   3.171  -2.537
+ 4008TIP3   OH218332  -1.272   4.204  -3.647
+ 4008TIP3    H118333  -1.304   4.295  -3.646
+ 4008TIP3    H218334  -1.345   4.160  -3.692
+ 4009TIP3   OH218335  -1.393   4.132  -3.317
+ 4009TIP3    H118336  -1.390   4.080  -3.236
+ 4009TIP3    H218337  -1.418   4.067  -3.383
+ 4010TIP3   OH218338  -2.149   4.083  -3.156
+ 4010TIP3    H118339  -2.151   4.007  -3.095
+ 4010TIP3    H218340  -2.074   4.132  -3.120
+ 4011TIP3   OH218341  -2.378   3.885  -3.762
+ 4011TIP3    H118342  -2.422   3.972  -3.755
+ 4011TIP3    H218343  -2.445   3.833  -3.807
+ 4012TIP3   OH218344  -2.285   4.135  -3.578
+ 4012TIP3    H118345  -2.285   4.055  -3.522
+ 4012TIP3    H218346  -2.204   4.119  -3.628
+ 4013TIP3   OH218347  -0.672   3.521  -3.198
+ 4013TIP3    H118348  -0.651   3.585  -3.129
+ 4013TIP3    H218349  -0.613   3.552  -3.270
+ 4014TIP3   OH218350  -1.208   3.804  -3.212
+ 4014TIP3    H118351  -1.198   3.708  -3.206
+ 4014TIP3    H218352  -1.221   3.817  -3.307
+ 4015TIP3   OH218353  -1.916   3.606  -3.504
+ 4015TIP3    H118354  -1.899   3.690  -3.551
+ 4015TIP3    H218355  -1.947   3.551  -3.578
+ 4016TIP3   OH218356  -1.130   3.621  -3.676
+ 4016TIP3    H118357  -1.074   3.576  -3.608
+ 4016TIP3    H218358  -1.062   3.665  -3.729
+ 4017TIP3   OH218359  -2.246   3.877  -3.453
+ 4017TIP3    H118360  -2.182   3.831  -3.397
+ 4017TIP3    H218361  -2.236   3.829  -3.537
+ 4018TIP3   OH218362  -1.704   4.018  -3.506
+ 4018TIP3    H118363  -1.636   3.960  -3.466
+ 4018TIP3    H218364  -1.758   3.954  -3.555
+ 4019TIP3   OH218365  -0.600   3.661  -2.950
+ 4019TIP3    H118366  -0.658   3.732  -2.981
+ 4019TIP3    H218367  -0.627   3.656  -2.857
+ 4020TIP3   OH218368  -2.034   3.484  -3.088
+ 4020TIP3    H118369  -2.075   3.533  -3.161
+ 4020TIP3    H218370  -2.099   3.500  -3.017
+ 4021TIP3   OH218371  -1.763   4.267  -3.111
+ 4021TIP3    H118372  -1.844   4.320  -3.106
+ 4021TIP3    H218373  -1.697   4.338  -3.117
+ 4022TIP3   OH218374  -0.943   3.545  -3.470
+ 4022TIP3    H118375  -0.988   3.488  -3.407
+ 4022TIP3    H218376  -0.896   3.607  -3.412
+ 4023TIP3   OH218377  -2.074   3.690  -3.295
+ 4023TIP3    H118378  -2.008   3.745  -3.248
+ 4023TIP3    H218379  -2.017   3.652  -3.366
+ 4024TIP3   OH218380  -0.933   3.463  -3.085
+ 4024TIP3    H118381  -1.010   3.501  -3.129
+ 4024TIP3    H218382  -0.861   3.480  -3.149
+ 4025TIP3   OH218383  -1.611   3.233  -3.368
+ 4025TIP3    H118384  -1.637   3.143  -3.393
+ 4025TIP3    H218385  -1.698   3.272  -3.345
+ 4026TIP3   OH218386  -1.417   4.142  -3.909
+ 4026TIP3    H118387  -1.483   4.179  -3.969
+ 4026TIP3    H218388  -1.341   4.134  -3.968
+ 4027TIP3   OH218389  -1.380   3.948  -4.206
+ 4027TIP3    H118390  -1.307   3.976  -4.149
+ 4027TIP3    H218391  -1.335   3.886  -4.267
+ 4028TIP3   OH218392  -0.669   4.055  -3.081
+ 4028TIP3    H118393  -0.734   4.127  -3.068
+ 4028TIP3    H218394  -0.618   4.095  -3.155
+ 4029TIP3   OH218395  -1.051   4.140  -3.807
+ 4029TIP3    H118396  -1.117   4.161  -3.738
+ 4029TIP3    H218397  -0.985   4.089  -3.757
+ 4030TIP3   OH218398  -1.076   3.981  -2.912
+ 4030TIP3    H118399  -1.075   4.058  -2.853
+ 4030TIP3    H218400  -1.135   4.016  -2.982
+ 4031TIP3   OH218401  -1.898   4.207  -3.611
+ 4031TIP3    H118402  -1.918   4.179  -3.702
+ 4031TIP3    H218403  -1.820   4.153  -3.591
+ 4032TIP3   OH218404  -1.847   4.070  -3.271
+ 4032TIP3    H118405  -1.787   4.073  -3.348
+ 4032TIP3    H218406  -1.812   4.143  -3.215
+ 4033TIP3   OH218407  -1.151   4.075  -4.056
+ 4033TIP3    H118408  -1.102   4.101  -3.975
+ 4033TIP3    H218409  -1.091   4.109  -4.126
+ 4034TIP3   OH218410  -2.059   4.149  -2.886
+ 4034TIP3    H118411  -2.047   4.212  -2.810
+ 4034TIP3    H218412  -2.155   4.138  -2.885
+ 4035TIP3   OH218413  -0.807   3.237  -4.075
+ 4035TIP3    H118414  -0.903   3.245  -4.059
+ 4035TIP3    H218415  -0.785   3.327  -4.101
+ 4036TIP3   OH218416  -2.010   4.088  -3.860
+ 4036TIP3    H118417  -2.029   4.166  -3.916
+ 4036TIP3    H218418  -2.073   4.023  -3.894
+ 4037TIP3   OH218419  -2.417   4.309  -2.982
+ 4037TIP3    H118420  -2.412   4.292  -3.078
+ 4037TIP3    H218421  -2.381   4.226  -2.945
+ 4038TIP3   OH218422  -0.877   3.838  -2.679
+ 4038TIP3    H118423  -0.931   3.875  -2.750
+ 4038TIP3    H218424  -0.874   3.744  -2.705
+ 4039TIP3   OH218425  -1.863   3.347  -3.286
+ 4039TIP3    H118426  -1.941   3.343  -3.343
+ 4039TIP3    H218427  -1.888   3.421  -3.228
+ 4040TIP3   OH218428  -1.425   3.308  -2.924
+ 4040TIP3    H118429  -1.373   3.255  -2.861
+ 4040TIP3    H218430  -1.516   3.273  -2.913
+ 4041TIP3   OH218431  -1.106   3.686  -2.870
+ 4041TIP3    H118432  -1.170   3.670  -2.798
+ 4041TIP3    H218433  -1.118   3.780  -2.889
+ 4042TIP3   OH218434  -0.948   4.145  -4.252
+ 4042TIP3    H118435  -0.992   4.166  -4.337
+ 4042TIP3    H218436  -0.902   4.230  -4.234
+ 4043TIP3   OH218437  -1.440   3.543  -4.216
+ 4043TIP3    H118438  -1.497   3.555  -4.139
+ 4043TIP3    H218439  -1.484   3.469  -4.259
+ 4044TIP3   OH218440  -1.876   3.824  -3.146
+ 4044TIP3    H118441  -1.935   3.838  -3.070
+ 4044TIP3    H218442  -1.868   3.915  -3.183
+ 4045TIP3   OH218443  -1.882   3.836  -3.661
+ 4045TIP3    H118444  -1.977   3.825  -3.677
+ 4045TIP3    H218445  -1.847   3.816  -3.750
+ 4046TIP3   OH218446  -1.311   3.898  -3.784
+ 4046TIP3    H118447  -1.360   3.972  -3.822
+ 4046TIP3    H218448  -1.251   3.872  -3.857
+ 4047TIP3   OH218449  -1.402   3.920  -2.639
+ 4047TIP3    H118450  -1.452   3.843  -2.607
+ 4047TIP3    H218451  -1.313   3.904  -2.601
+ 4048TIP3   OH218452  -1.235   3.830  -3.507
+ 4048TIP3    H118453  -1.262   3.885  -3.584
+ 4048TIP3    H218454  -1.214   3.747  -3.553
+ 4049TIP3   OH218455  -2.140   3.842  -2.968
+ 4049TIP3    H118456  -2.113   3.877  -2.882
+ 4049TIP3    H218457  -2.173   3.754  -2.944
+ 4050TIP3   OH218458  -1.772   3.579  -4.314
+ 4050TIP3    H118459  -1.806   3.560  -4.224
+ 4050TIP3    H218460  -1.844   3.632  -4.352
+ 4051TIP3   OH218461  -2.458   3.590  -3.601
+ 4051TIP3    H118462  -2.396   3.588  -3.525
+ 4051TIP3    H218463  -2.406   3.551  -3.673
+ 4052TIP3   OH218464  -2.301   3.633  -4.040
+ 4052TIP3    H118465  -2.243   3.682  -4.102
+ 4052TIP3    H218466  -2.367   3.701  -4.018
+ 4053TIP3   OH218467  -1.337   3.997  -3.060
+ 4053TIP3    H118468  -1.285   3.929  -3.109
+ 4053TIP3    H218469  -1.368   3.944  -2.985
+ 4054TIP3   OH218470  -1.603   3.600  -3.558
+ 4054TIP3    H118471  -1.697   3.583  -3.539
+ 4054TIP3    H218472  -1.561   3.569  -3.477
+ 4055TIP3   OH218473  -2.148   3.715  -3.690
+ 4055TIP3    H118474  -2.229   3.740  -3.737
+ 4055TIP3    H218475  -2.118   3.636  -3.738
+ 4056TIP3   OH218476  -1.787   3.759  -3.920
+ 4056TIP3    H118477  -1.690   3.759  -3.917
+ 4056TIP3    H218478  -1.808   3.813  -3.998
+ 4057TIP3   OH218479  -1.167   3.507  -3.257
+ 4057TIP3    H118480  -1.231   3.508  -3.182
+ 4057TIP3    H218481  -1.225   3.473  -3.327
+ 4058TIP3   OH218482  -1.928   3.868  -4.158
+ 4058TIP3    H118483  -1.992   3.822  -4.216
+ 4058TIP3    H218484  -1.855   3.889  -4.218
+ 4059TIP3   OH218485  -2.047   4.317  -2.678
+ 4059TIP3    H118486  -1.990   4.363  -2.613
+ 4059TIP3    H218487  -2.128   4.304  -2.624
+ 4060TIP3   OH218488  -1.503   3.851  -3.373
+ 4060TIP3    H118489  -1.433   3.805  -3.421
+ 4060TIP3    H218490  -1.520   3.789  -3.300
+ 4061TIP3   OH218491  -1.975   3.487  -3.766
+ 4061TIP3    H118492  -2.026   3.408  -3.744
+ 4061TIP3    H218493  -1.888   3.450  -3.787
+ 4062TIP3   OH218494  -1.605   3.695  -3.151
+ 4062TIP3    H118495  -1.684   3.752  -3.149
+ 4062TIP3    H218496  -1.556   3.721  -3.071
+ 4063TIP3   OH218497  -1.631   4.364  -3.939
+ 4063TIP3    H118498  -1.674   4.296  -3.995
+ 4063TIP3    H218499  -1.584   4.313  -3.872
+ 4064TIP3   OH218500  -0.846   4.267  -3.093
+ 4064TIP3    H118501  -0.820   4.311  -3.176
+ 4064TIP3    H218502  -0.941   4.256  -3.112
+ 4065TIP3   OH218503  -1.172   3.619  -4.208
+ 4065TIP3    H118504  -1.268   3.602  -4.194
+ 4065TIP3    H218505  -1.149   3.681  -4.137
+ 4066TIP3   OH218506  -1.115   3.789  -3.991
+ 4066TIP3    H118507  -1.029   3.774  -3.946
+ 4066TIP3    H218508  -1.101   3.878  -4.030
+ 4067TIP3   OH218509  -2.052   4.248  -3.392
+ 4067TIP3    H118510  -1.991   4.239  -3.468
+ 4067TIP3    H218511  -2.038   4.163  -3.347
+ 4068TIP3   OH218512  -2.345   4.081  -2.855
+ 4068TIP3    H118513  -2.334   4.043  -2.766
+ 4068TIP3    H218514  -2.418   4.030  -2.893
+ 4069TIP3   OH218515  -1.656   4.051  -2.653
+ 4069TIP3    H118516  -1.689   4.027  -2.740
+ 4069TIP3    H218517  -1.562   4.027  -2.661
+ 4070TIP3   OH218518  -0.644   3.805  -3.999
+ 4070TIP3    H118519  -0.707   3.787  -4.072
+ 4070TIP3    H218520  -0.631   3.900  -4.017
+ 4071TIP3   OH218521  -1.103   4.184  -3.228
+ 4071TIP3    H118522  -1.195   4.181  -3.258
+ 4071TIP3    H218523  -1.056   4.133  -3.296
+ 4072TIP3   OH218524  -2.234   4.084  -4.196
+ 4072TIP3    H118525  -2.179   4.154  -4.157
+ 4072TIP3    H218526  -2.324   4.111  -4.171
+ 4073TIP3   OH218527  -2.222   3.566  -2.889
+ 4073TIP3    H118528  -2.312   3.589  -2.917
+ 4073TIP3    H218529  -2.235   3.478  -2.849
+ 4074TIP3   OH218530  -2.077  -4.393  -4.009
+ 4074TIP3    H118531  -2.167  -4.356  -4.005
+ 4074TIP3    H218532  -2.027  -4.318  -4.043
+ 4075TIP3   OH218533  -1.324   3.549  -3.036
+ 4075TIP3    H118534  -1.264   3.575  -2.964
+ 4075TIP3    H218535  -1.374   3.475  -2.995
+ 4076TIP3   OH218536  -1.258   3.502  -3.924
+ 4076TIP3    H118537  -1.233   3.565  -3.993
+ 4076TIP3    H218538  -1.217   3.543  -3.845
+ 4077TIP3   OH218539  -1.519   3.694  -3.815
+ 4077TIP3    H118540  -1.439   3.747  -3.796
+ 4077TIP3    H218541  -1.550   3.672  -3.724
+ 4078TIP3   OH218542  -1.476   3.794  -2.898
+ 4078TIP3    H118543  -1.475   3.840  -2.813
+ 4078TIP3    H218544  -1.433   3.710  -2.875
+ 4079TIP3   OH218545  -1.452   3.380  -3.722
+ 4079TIP3    H118546  -1.478   3.450  -3.660
+ 4079TIP3    H218547  -1.386   3.423  -3.779
+ 4080TIP3   OH218548  -1.886   3.502  -4.079
+ 4080TIP3    H118549  -1.895   3.572  -4.012
+ 4080TIP3    H218550  -1.812   3.451  -4.042
+ 4081TIP3   OH218551  -0.854   3.583  -2.811
+ 4081TIP3    H118552  -0.950   3.597  -2.823
+ 4081TIP3    H218553  -0.831   3.562  -2.903
+ 4082TIP3   OH218554  -1.002   3.967  -3.415
+ 4082TIP3    H118555  -1.086   3.923  -3.434
+ 4082TIP3    H218556  -0.955   3.899  -3.362
+ 4083TIP3   OH218557  -2.222   3.806  -4.259
+ 4083TIP3    H118558  -2.210   3.901  -4.241
+ 4083TIP3    H218559  -2.314   3.805  -4.291
+ 4084TIP3   OH218560  -2.146   3.306  -3.371
+ 4084TIP3    H118561  -2.156   3.300  -3.468
+ 4084TIP3    H218562  -2.175   3.218  -3.341
+ 4085TIP3   OH218563  -2.292   4.307  -2.566
+ 4085TIP3    H118564  -2.312   4.212  -2.560
+ 4085TIP3    H218565  -2.375   4.348  -2.593
+ 4086TIP3   OH218566  -1.701   4.329  -2.611
+ 4086TIP3    H118567  -1.699   4.345  -2.708
+ 4086TIP3    H218568  -1.667   4.238  -2.607
+ 4087TIP3   OH218569  -1.099  -4.376  -2.838
+ 4087TIP3    H118570  -1.020  -4.332  -2.872
+ 4087TIP3    H218571  -1.168  -4.311  -2.857
+ 4088TIP3   OH218572  -2.234   4.023  -2.593
+ 4088TIP3    H118573  -2.155   3.966  -2.600
+ 4088TIP3    H218574  -2.232   4.044  -2.498
+ 4089TIP3   OH218575  -1.771   4.155  -4.082
+ 4089TIP3    H118576  -1.843   4.120  -4.028
+ 4089TIP3    H218577  -1.758   4.084  -4.147
+ 4090TIP3   OH218578  -1.861   3.933  -2.855
+ 4090TIP3    H118579  -1.917   4.010  -2.835
+ 4090TIP3    H218580  -1.797   3.971  -2.918
+ 4091TIP3   OH218581  -1.665   3.955  -4.274
+ 4091TIP3    H118582  -1.670   3.954  -4.370
+ 4091TIP3    H218583  -1.569   3.966  -4.259
+ 4092TIP3   OH218584  -1.332   4.216  -2.500
+ 4092TIP3    H118585  -1.245   4.193  -2.534
+ 4092TIP3    H218586  -1.367   4.131  -2.471
+ 4093TIP3   OH218587  -1.808   3.663  -2.743
+ 4093TIP3    H118588  -1.799   3.597  -2.815
+ 4093TIP3    H218589  -1.827   3.744  -2.793
+ 4094TIP3   OH218590  -1.771   3.511  -2.997
+ 4094TIP3    H118591  -1.719   3.561  -3.062
+ 4094TIP3    H218592  -1.862   3.514  -3.034
+ 4095TIP3   OH218593  -1.622   4.067  -2.967
+ 4095TIP3    H118594  -1.538   4.054  -3.013
+ 4095TIP3    H218595  -1.656   4.148  -3.007
+ 4096TIP3   OH218596  -1.157   3.850  -2.482
+ 4096TIP3    H118597  -1.141   3.756  -2.460
+ 4096TIP3    H218598  -1.066   3.884  -2.483
+ 4097TIP3   OH218599  -1.062   4.137  -2.642
+ 4097TIP3    H118600  -1.086   4.208  -2.707
+ 4097TIP3    H218601  -0.972   4.116  -2.673
+ 4098TIP3   OH218602  -1.993   3.853  -2.568
+ 4098TIP3    H118603  -2.040   3.768  -2.562
+ 4098TIP3    H218604  -1.907   3.825  -2.602
+ 4099TIP3   OH218605  -1.699   3.244  -2.960
+ 4099TIP3    H118606  -1.716   3.339  -2.978
+ 4099TIP3    H218607  -1.768   3.202  -3.016
+ 4100TIP3   OH218608  -1.573   3.701  -2.587
+ 4100TIP3    H118609  -1.603   3.676  -2.498
+ 4100TIP3    H218610  -1.655   3.678  -2.637
+ 4101TIP3   OH218611  -1.319   3.607  -2.696
+ 4101TIP3    H118612  -1.408   3.613  -2.655
+ 4101TIP3    H218613  -1.275   3.543  -2.637
+ 4102TIP3   OH218614  -1.127   3.451  -2.520
+ 4102TIP3    H118615  -1.153   3.358  -2.505
+ 4102TIP3    H218616  -1.155   3.496  -2.438
+ 4103TIP3   OH218617  -2.119   3.594  -2.576
+ 4103TIP3    H118618  -2.124   3.523  -2.643
+ 4103TIP3    H218619  -2.139   3.545  -2.494
+ 4104TIP3   OH218620  -1.720   3.192  -2.679
+ 4104TIP3    H118621  -1.656   3.120  -2.674
+ 4104TIP3    H218622  -1.718   3.212  -2.774
+ 4105TIP3   OH218623  -1.612   3.380  -2.486
+ 4105TIP3    H118624  -1.650   3.310  -2.542
+ 4105TIP3    H218625  -1.690   3.428  -2.457
+ 4106TIP3   OH218626  -0.680   4.369  -3.885
+ 4106TIP3    H118627  -0.588   4.364  -3.913
+ 4106TIP3    H218628  -0.698   4.279  -3.853
+ 4107TIP3   OH218629  -0.645   4.128  -3.733
+ 4107TIP3    H118630  -0.723   4.086  -3.691
+ 4107TIP3    H218631  -0.588   4.150  -3.657
+ 4108TIP3   OH218632  -0.630   4.104  -4.106
+ 4108TIP3    H118633  -0.692   4.137  -4.173
+ 4108TIP3    H218634  -0.641   4.171  -4.038
+ 4109TIP3   OH218635  -0.807   3.843  -4.216
+ 4109TIP3    H118636  -0.781   3.921  -4.268
+ 4109TIP3    H218637  -0.764   3.772  -4.265
+ 4110TIP3   OH218638  -0.872   3.965  -3.657
+ 4110TIP3    H118639  -0.875   3.869  -3.671
+ 4110TIP3    H218640  -0.908   3.973  -3.566
+ 4111TIP3   OH218641  -2.384   4.189  -3.259
+ 4111TIP3    H118642  -2.375   4.201  -3.355
+ 4111TIP3    H218643  -2.294   4.160  -3.234
+ 4112TIP3   OH218644  -0.786   4.161  -2.736
+ 4112TIP3    H118645  -0.714   4.100  -2.710
+ 4112TIP3    H218646  -0.740   4.244  -2.760
+ 4113TIP3   OH218647  -0.643   3.965  -2.621
+ 4113TIP3    H118648  -0.725   3.914  -2.638
+ 4113TIP3    H218649  -0.576   3.895  -2.616
+ 4114TIP3   OH218650  -0.884   3.528  -4.334
+ 4114TIP3    H118651  -0.822   3.507  -4.264
+ 4114TIP3    H218652  -0.969   3.495  -4.302
+ 4115TIP3   OH218653  -0.881   3.709  -3.836
+ 4115TIP3    H118654  -0.854   3.615  -3.828
+ 4115TIP3    H218655  -0.799   3.748  -3.873
+ 4116TIP3   OH218656  -0.850   3.766  -3.289
+ 4116TIP3    H118657  -0.753   3.780  -3.290
+ 4116TIP3    H218658  -0.867   3.771  -3.193
+ 4117TIP3   OH218659  -0.833   3.837  -3.007
+ 4117TIP3    H118660  -0.920   3.874  -2.981
+ 4117TIP3    H218661  -0.783   3.918  -3.030
+ 4118TIP3   OH218662  -2.387   3.716  -2.639
+ 4118TIP3    H118663  -2.293   3.691  -2.636
+ 4118TIP3    H218664  -2.430   3.628  -2.632
+ 4119TIP3   OH218665  -0.574   3.254  -2.476
+ 4119TIP3    H118666  -0.539   3.184  -2.534
+ 4119TIP3    H218667  -0.576   3.331  -2.536
+ 4120TIP3   OH218668  -0.828   3.433  -3.831
+ 4120TIP3    H118669  -0.821   3.398  -3.740
+ 4120TIP3    H218670  -0.904   3.380  -3.865
+ 4121TIP3   OH218671  -2.309   3.547  -3.358
+ 4121TIP3    H118672  -2.263   3.461  -3.353
+ 4121TIP3    H218673  -2.239   3.607  -3.325
+ 4122TIP3   OH218674  -2.455   3.816  -3.254
+ 4122TIP3    H118675  -2.394   3.810  -3.329
+ 4122TIP3    H218676  -2.420   3.893  -3.208
+ 4123TIP3   OH218677  -0.641   3.456  -2.653
+ 4123TIP3    H118678  -0.728   3.500  -2.647
+ 4123TIP3    H218679  -0.654   3.403  -2.733
+ 4124TIP3   OH218680  -0.628   3.474  -4.177
+ 4124TIP3    H118681  -0.598   3.403  -4.233
+ 4124TIP3    H218682  -0.546   3.526  -4.166
+ 4125TIP3   OH218683  -2.404   3.450  -3.852
+ 4125TIP3    H118684  -2.499   3.452  -3.872
+ 4125TIP3    H218685  -2.366   3.509  -3.920
+ 4126TIP3   OH218686  -2.400   3.338  -3.033
+ 4126TIP3    H118687  -2.471   3.310  -2.974
+ 4126TIP3    H218688  -2.449   3.389  -3.100
+ 4127TIP3   OH218689  -0.752   3.281  -2.856
+ 4127TIP3    H118690  -0.834   3.302  -2.905
+ 4127TIP3    H218691  -0.733   3.191  -2.889
+ 4128TIP3   OH218692  -1.410   3.430  -3.413
+ 4128TIP3    H118693  -1.479   3.363  -3.395
+ 4128TIP3    H218694  -1.353   3.381  -3.475
+ 4129TIP3   OH218695  -0.916   3.230  -3.363
+ 4129TIP3    H118696  -0.843   3.278  -3.405
+ 4129TIP3    H218697  -0.993   3.259  -3.415
+ 4130TIP3   OH218698  -0.706   3.340  -3.575
+ 4130TIP3    H118699  -0.635   3.305  -3.631
+ 4130TIP3    H218700  -0.678   3.434  -3.565
+ 4131TIP3   OH218701  -2.170   3.292  -3.652
+ 4131TIP3    H118702  -2.255   3.276  -3.696
+ 4131TIP3    H218703  -2.122   3.209  -3.671
+ 4132TIP3   OH218704  -2.300   3.258  -4.083
+ 4132TIP3    H118705  -2.239   3.321  -4.126
+ 4132TIP3    H218706  -2.330   3.309  -4.006
+ 4133TIP3   OH218707  -1.736   3.307  -3.665
+ 4133TIP3    H118708  -1.644   3.292  -3.691
+ 4133TIP3    H218709  -1.747   3.240  -3.597
+ 4134TIP3   OH218710  -1.161   3.287  -3.521
+ 4134TIP3    H118711  -1.154   3.271  -3.616
+ 4134TIP3    H218712  -1.207   3.205  -3.491
+ 4135TIP3   OH218713  -1.063   3.285  -3.924
+ 4135TIP3    H118714  -1.143   3.336  -3.947
+ 4135TIP3    H218715  -1.102   3.197  -3.911
+ 4136TIP3   OH218716  -2.130   3.427  -4.230
+ 4136TIP3    H118717  -2.072   3.371  -4.282
+ 4136TIP3    H218718  -2.065   3.480  -4.180
+ 4137TIP3   OH218719  -1.619   3.445  -3.964
+ 4137TIP3    H118720  -1.578   3.383  -3.902
+ 4137TIP3    H218721  -1.594   3.530  -3.924
+ 4138TIP3   OH218722  -2.197   3.323  -2.702
+ 4138TIP3    H118723  -2.235   3.242  -2.665
+ 4138TIP3    H218724  -2.104   3.313  -2.674
+ 4139TIP3   OH218725  -1.965   3.263  -2.530
+ 4139TIP3    H118726  -1.878   3.237  -2.567
+ 4139TIP3    H218727  -1.992   3.181  -2.487
+ 4140TIP3   OH218728  -1.146   3.170  -2.510
+ 4140TIP3    H118729  -1.143   3.136  -2.419
+ 4140TIP3    H218730  -1.052   3.171  -2.534
+ 4141TIP3   OH218731  -0.264   4.083  -3.155
+ 4141TIP3    H118732  -0.264   4.008  -3.094
+ 4141TIP3    H218733  -0.186   4.131  -3.125
+ 4142TIP3   OH218734  -0.492   3.884  -3.763
+ 4142TIP3    H118735  -0.534   3.971  -3.754
+ 4142TIP3    H218736  -0.561   3.834  -3.807
+ 4143TIP3   OH218737  -0.399   4.136  -3.577
+ 4143TIP3    H118738  -0.399   4.055  -3.522
+ 4143TIP3    H218739  -0.316   4.123  -3.626
+ 4144TIP3   OH218740   1.216   3.518  -3.196
+ 4144TIP3    H118741   1.235   3.586  -3.129
+ 4144TIP3    H218742   1.270   3.552  -3.270
+ 4145TIP3   OH218743   0.678   3.801  -3.231
+ 4145TIP3    H118744   0.686   3.704  -3.241
+ 4145TIP3    H218745   0.642   3.828  -3.316
+ 4146TIP3   OH218746  -0.029   3.604  -3.505
+ 4146TIP3    H118747  -0.013   3.691  -3.548
+ 4146TIP3    H218748  -0.065   3.555  -3.580
+ 4147TIP3   OH218749   0.746   3.614  -3.672
+ 4147TIP3    H118750   0.807   3.591  -3.600
+ 4147TIP3    H218751   0.787   3.693  -3.708
+ 4148TIP3   OH218752  -0.362   3.877  -3.453
+ 4148TIP3    H118753  -0.297   3.832  -3.397
+ 4148TIP3    H218754  -0.351   3.829  -3.537
+ 4149TIP3   OH218755   0.177   4.018  -3.495
+ 4149TIP3    H118756   0.260   3.972  -3.471
+ 4149TIP3    H218757   0.132   3.951  -3.550
+ 4150TIP3   OH218758   1.285   3.661  -2.949
+ 4150TIP3    H118759   1.228   3.733  -2.981
+ 4150TIP3    H218760   1.259   3.658  -2.856
+ 4151TIP3   OH218761  -0.150   3.483  -3.088
+ 4151TIP3    H118762  -0.188   3.536  -3.160
+ 4151TIP3    H218763  -0.215   3.500  -3.017
+ 4152TIP3   OH218764   0.112   4.276  -3.101
+ 4152TIP3    H118765   0.037   4.334  -3.120
+ 4152TIP3    H218766   0.185   4.330  -3.136
+ 4153TIP3   OH218767   0.945   3.543  -3.469
+ 4153TIP3    H118768   0.895   3.491  -3.404
+ 4153TIP3    H218769   0.989   3.609  -3.414
+ 4154TIP3   OH218770  -0.188   3.688  -3.294
+ 4154TIP3    H118771  -0.123   3.746  -3.248
+ 4154TIP3    H218772  -0.130   3.653  -3.366
+ 4155TIP3   OH218773   0.953   3.461  -3.085
+ 4155TIP3    H118774   0.876   3.502  -3.129
+ 4155TIP3    H218775   1.025   3.481  -3.148
+ 4156TIP3   OH218776   0.266   3.233  -3.381
+ 4156TIP3    H118777   0.242   3.139  -3.385
+ 4156TIP3    H218778   0.184   3.272  -3.343
+ 4157TIP3   OH218779   0.466   4.123  -3.910
+ 4157TIP3    H118780   0.412   4.194  -3.947
+ 4157TIP3    H218781   0.551   4.136  -3.953
+ 4158TIP3   OH218782   0.499   3.952  -4.209
+ 4158TIP3    H118783   0.562   3.981  -4.140
+ 4158TIP3    H218784   0.556   3.890  -4.260
+ 4159TIP3   OH218785   1.217   4.056  -3.081
+ 4159TIP3    H118786   1.150   4.127  -3.068
+ 4159TIP3    H218787   1.266   4.096  -3.156
+ 4160TIP3   OH218788   0.807   4.151  -3.793
+ 4160TIP3    H118789   0.742   4.162  -3.720
+ 4160TIP3    H218790   0.874   4.098  -3.747
+ 4161TIP3   OH218791   0.803   3.982  -2.915
+ 4161TIP3    H118792   0.807   4.062  -2.861
+ 4161TIP3    H218793   0.750   4.017  -2.990
+ 4162TIP3   OH218794  -0.024   4.198  -3.609
+ 4162TIP3    H118795  -0.032   4.179  -3.704
+ 4162TIP3    H218796   0.064   4.159  -3.589
+ 4163TIP3   OH218797   0.038   4.073  -3.264
+ 4163TIP3    H118798   0.096   4.070  -3.343
+ 4163TIP3    H218799   0.076   4.145  -3.211
+ 4164TIP3   OH218800   0.739   4.070  -4.053
+ 4164TIP3    H118801   0.778   4.106  -3.970
+ 4164TIP3    H218802   0.799   4.108  -4.121
+ 4165TIP3   OH218803  -0.173   4.145  -2.882
+ 4165TIP3    H118804  -0.161   4.210  -2.809
+ 4165TIP3    H218805  -0.270   4.139  -2.885
+ 4166TIP3   OH218806   1.078   3.236  -4.076
+ 4166TIP3    H118807   0.983   3.247  -4.056
+ 4166TIP3    H218808   1.101   3.326  -4.103
+ 4167TIP3   OH218809  -0.124   4.084  -3.864
+ 4167TIP3    H118810  -0.142   4.165  -3.918
+ 4167TIP3    H218811  -0.191   4.024  -3.896
+ 4168TIP3   OH218812  -0.528   4.310  -2.982
+ 4168TIP3    H118813  -0.527   4.292  -3.077
+ 4168TIP3    H218814  -0.495   4.226  -2.945
+ 4169TIP3   OH218815   1.004   3.837  -2.677
+ 4169TIP3    H118816   0.958   3.877  -2.753
+ 4169TIP3    H218817   1.012   3.744  -2.708
+ 4170TIP3   OH218818   0.024   3.346  -3.288
+ 4170TIP3    H118819  -0.059   3.342  -3.339
+ 4170TIP3    H218820   0.005   3.423  -3.232
+ 4171TIP3   OH218821   0.461   3.306  -2.923
+ 4171TIP3    H118822   0.513   3.252  -2.861
+ 4171TIP3    H218823   0.370   3.273  -2.912
+ 4172TIP3   OH218824   0.780   3.685  -2.869
+ 4172TIP3    H118825   0.714   3.671  -2.799
+ 4172TIP3    H218826   0.768   3.780  -2.893
+ 4173TIP3   OH218827   0.936   4.145  -4.254
+ 4173TIP3    H118828   0.914   4.157  -4.347
+ 4173TIP3    H218829   0.979   4.230  -4.233
+ 4174TIP3   OH218830   0.443   3.544  -4.217
+ 4174TIP3    H118831   0.386   3.555  -4.139
+ 4174TIP3    H218832   0.397   3.474  -4.264
+ 4175TIP3   OH218833   0.008   3.825  -3.146
+ 4175TIP3    H118834  -0.052   3.840  -3.071
+ 4175TIP3    H218835   0.020   3.915  -3.182
+ 4176TIP3   OH218836   0.004   3.830  -3.660
+ 4176TIP3    H118837  -0.092   3.826  -3.678
+ 4176TIP3    H218838   0.040   3.818  -3.749
+ 4177TIP3   OH218839   0.570   3.871  -3.786
+ 4177TIP3    H118840   0.541   3.963  -3.778
+ 4177TIP3    H218841   0.635   3.876  -3.859
+ 4178TIP3   OH218842   0.484   3.923  -2.633
+ 4178TIP3    H118843   0.433   3.844  -2.608
+ 4178TIP3    H218844   0.573   3.902  -2.600
+ 4179TIP3   OH218845  -0.251   3.841  -2.969
+ 4179TIP3    H118846  -0.231   3.880  -2.883
+ 4179TIP3    H218847  -0.288   3.754  -2.944
+ 4180TIP3   OH218848   0.115   3.576  -4.316
+ 4180TIP3    H118849   0.082   3.559  -4.226
+ 4180TIP3    H218850   0.044   3.634  -4.350
+ 4181TIP3   OH218851  -0.572   3.588  -3.601
+ 4181TIP3    H118852  -0.512   3.589  -3.525
+ 4181TIP3    H218853  -0.518   3.552  -3.672
+ 4182TIP3   OH218854  -0.416   3.633  -4.040
+ 4182TIP3    H118855  -0.358   3.682  -4.101
+ 4182TIP3    H218856  -0.482   3.701  -4.018
+ 4183TIP3   OH218857   0.546   4.005  -3.058
+ 4183TIP3    H118858   0.592   3.955  -3.128
+ 4183TIP3    H218859   0.528   3.938  -2.992
+ 4184TIP3   OH218860   0.278   3.586  -3.555
+ 4184TIP3    H118861   0.184   3.592  -3.531
+ 4184TIP3    H218862   0.320   3.580  -3.467
+ 4185TIP3   OH218863  -0.266   3.713  -3.687
+ 4185TIP3    H118864  -0.344   3.743  -3.736
+ 4185TIP3    H218865  -0.234   3.638  -3.740
+ 4186TIP3   OH218866   0.099   3.751  -3.926
+ 4186TIP3    H118867   0.196   3.761  -3.916
+ 4186TIP3    H218868   0.077   3.814  -3.997
+ 4187TIP3   OH218869   0.719   3.507  -3.256
+ 4187TIP3    H118870   0.656   3.511  -3.182
+ 4187TIP3    H218871   0.660   3.472  -3.326
+ 4188TIP3   OH218872  -0.044   3.866  -4.157
+ 4188TIP3    H118873  -0.104   3.818  -4.217
+ 4188TIP3    H218874   0.029   3.892  -4.215
+ 4189TIP3   OH218875  -0.162   4.317  -2.678
+ 4189TIP3    H118876  -0.105   4.365  -2.615
+ 4189TIP3    H218877  -0.242   4.305  -2.624
+ 4190TIP3   OH218878   0.383   3.835  -3.378
+ 4190TIP3    H118879   0.452   3.799  -3.434
+ 4190TIP3    H218880   0.385   3.779  -3.299
+ 4191TIP3   OH218881  -0.088   3.490  -3.763
+ 4191TIP3    H118882  -0.140   3.411  -3.747
+ 4191TIP3    H218883  -0.004   3.454  -3.795
+ 4192TIP3   OH218884   0.276   3.687  -3.148
+ 4192TIP3    H118885   0.205   3.752  -3.156
+ 4192TIP3    H218886   0.328   3.721  -3.072
+ 4193TIP3   OH218887   0.282   4.349  -3.955
+ 4193TIP3    H118888   0.217   4.288  -3.996
+ 4193TIP3    H218889   0.278   4.327  -3.861
+ 4194TIP3   OH218890   1.040   4.266  -3.094
+ 4194TIP3    H118891   1.061   4.312  -3.177
+ 4194TIP3    H218892   0.945   4.252  -3.111
+ 4195TIP3   OH218893   0.709   3.608  -4.186
+ 4195TIP3    H118894   0.611   3.607  -4.184
+ 4195TIP3    H218895   0.733   3.683  -4.127
+ 4196TIP3   OH218896   0.775   3.792  -3.994
+ 4196TIP3    H118897   0.859   3.779  -3.945
+ 4196TIP3    H218898   0.784   3.883  -4.027
+ 4197TIP3   OH218899  -0.165   4.251  -3.386
+ 4197TIP3    H118900  -0.109   4.238  -3.467
+ 4197TIP3    H218901  -0.153   4.164  -3.344
+ 4198TIP3   OH218902  -0.460   4.080  -2.856
+ 4198TIP3    H118903  -0.451   4.043  -2.766
+ 4198TIP3    H218904  -0.534   4.031  -2.894
+ 4199TIP3   OH218905   0.229   4.048  -2.650
+ 4199TIP3    H118906   0.194   4.029  -2.739
+ 4199TIP3    H218907   0.324   4.029  -2.662
+ 4200TIP3   OH218908   1.244   3.803  -4.000
+ 4200TIP3    H118909   1.178   3.786  -4.070
+ 4200TIP3    H218910   1.254   3.899  -4.015
+ 4201TIP3   OH218911   0.779   4.162  -3.221
+ 4201TIP3    H118912   0.692   4.175  -3.263
+ 4201TIP3    H218913   0.829   4.137  -3.300
+ 4202TIP3   OH218914  -0.348   4.084  -4.195
+ 4202TIP3    H118915  -0.293   4.154  -4.156
+ 4202TIP3    H218916  -0.438   4.112  -4.172
+ 4203TIP3   OH218917  -0.337   3.565  -2.887
+ 4203TIP3    H118918  -0.427   3.591  -2.915
+ 4203TIP3    H218919  -0.352   3.477  -2.849
+ 4204TIP3   OH218920  -0.192  -4.395  -4.010
+ 4204TIP3    H118921  -0.281  -4.355  -4.002
+ 4204TIP3    H218922  -0.141  -4.319  -4.040
+ 4205TIP3   OH218923   0.560   3.551  -3.035
+ 4205TIP3    H118924   0.624   3.575  -2.967
+ 4205TIP3    H218925   0.511   3.477  -2.995
+ 4206TIP3   OH218926   0.633   3.505  -3.910
+ 4206TIP3    H118927   0.657   3.560  -3.986
+ 4206TIP3    H218928   0.672   3.555  -3.836
+ 4207TIP3   OH218929   0.365   3.689  -3.816
+ 4207TIP3    H118930   0.443   3.749  -3.805
+ 4207TIP3    H218931   0.338   3.678  -3.723
+ 4208TIP3   OH218932   0.398   3.787  -2.895
+ 4208TIP3    H118933   0.412   3.845  -2.819
+ 4208TIP3    H218934   0.457   3.713  -2.878
+ 4209TIP3   OH218935   0.430   3.396  -3.724
+ 4209TIP3    H118936   0.407   3.466  -3.659
+ 4209TIP3    H218937   0.503   3.439  -3.772
+ 4210TIP3   OH218938  -0.000   3.502  -4.078
+ 4210TIP3    H118939  -0.006   3.576  -4.016
+ 4210TIP3    H218940   0.076   3.453  -4.042
+ 4211TIP3   OH218941   1.030   3.583  -2.810
+ 4211TIP3    H118942   0.935   3.600  -2.827
+ 4211TIP3    H218943   1.057   3.562  -2.901
+ 4212TIP3   OH218944   0.887   3.950  -3.433
+ 4212TIP3    H118945   0.790   3.947  -3.437
+ 4212TIP3    H218946   0.910   3.882  -3.367
+ 4213TIP3   OH218947  -0.342   3.807  -4.257
+ 4213TIP3    H118948  -0.327   3.902  -4.240
+ 4213TIP3    H218949  -0.433   3.808  -4.289
+ 4214TIP3   OH218950  -0.253   3.303  -3.371
+ 4214TIP3    H118951  -0.273   3.303  -3.467
+ 4214TIP3    H218952  -0.290   3.218  -3.341
+ 4215TIP3   OH218953  -0.405   4.307  -2.566
+ 4215TIP3    H118954  -0.427   4.212  -2.562
+ 4215TIP3    H218955  -0.488   4.350  -2.591
+ 4216TIP3   OH218956   0.183   4.328  -2.609
+ 4216TIP3    H118957   0.186   4.350  -2.705
+ 4216TIP3    H218958   0.219   4.238  -2.609
+ 4217TIP3   OH218959   0.787  -4.376  -2.835
+ 4217TIP3    H118960   0.864  -4.332  -2.872
+ 4217TIP3    H218961   0.716  -4.315  -2.860
+ 4218TIP3   OH218962  -0.349   4.024  -2.593
+ 4218TIP3    H118963  -0.271   3.966  -2.599
+ 4218TIP3    H218964  -0.348   4.045  -2.497
+ 4219TIP3   OH218965   0.105   4.159  -4.089
+ 4219TIP3    H118966   0.043   4.119  -4.026
+ 4219TIP3    H218967   0.132   4.084  -4.143
+ 4220TIP3   OH218968   0.025   3.934  -2.851
+ 4220TIP3    H118969  -0.033   4.011  -2.838
+ 4220TIP3    H218970   0.087   3.967  -2.918
+ 4221TIP3   OH218971   0.219   3.956  -4.270
+ 4221TIP3    H118972   0.220   3.949  -4.366
+ 4221TIP3    H218973   0.315   3.965  -4.251
+ 4222TIP3   OH218974   0.556   4.216  -2.494
+ 4222TIP3    H118975   0.639   4.196  -2.538
+ 4222TIP3    H218976   0.517   4.129  -2.479
+ 4223TIP3   OH218977   0.083   3.664  -2.741
+ 4223TIP3    H118978   0.088   3.598  -2.813
+ 4223TIP3    H218979   0.063   3.745  -2.791
+ 4224TIP3   OH218980   0.114   3.508  -2.997
+ 4224TIP3    H118981   0.167   3.564  -3.059
+ 4224TIP3    H218982   0.023   3.515  -3.033
+ 4225TIP3   OH218983   0.268   4.067  -2.966
+ 4225TIP3    H118984   0.352   4.056  -3.015
+ 4225TIP3    H218985   0.233   4.149  -3.005
+ 4226TIP3   OH218986   0.731   3.837  -2.466
+ 4226TIP3    H118987   0.761   3.749  -2.491
+ 4226TIP3    H218988   0.813   3.889  -2.478
+ 4227TIP3   OH218989   0.820   4.136  -2.638
+ 4227TIP3    H118990   0.798   4.207  -2.703
+ 4227TIP3    H218991   0.911   4.116  -2.667
+ 4228TIP3   OH218992  -0.102   3.849  -2.559
+ 4228TIP3    H118993  -0.153   3.766  -2.563
+ 4228TIP3    H218994  -0.022   3.826  -2.609
+ 4229TIP3   OH218995   0.186   3.243  -2.960
+ 4229TIP3    H118996   0.170   3.338  -2.977
+ 4229TIP3    H218997   0.117   3.202  -3.015
+ 4230TIP3   OH218998   0.315   3.697  -2.580
+ 4230TIP3    H118999   0.270   3.682  -2.495
+ 4230TIP3    H219000   0.239   3.682  -2.640
+ 4231TIP3   OH219001   0.570   3.607  -2.693
+ 4231TIP3    H119002   0.479   3.612  -2.659
+ 4231TIP3    H219003   0.611   3.544  -2.631
+ 4232TIP3   OH219004   0.751   3.465  -2.492
+ 4232TIP3    H119005   0.735   3.369  -2.499
+ 4232TIP3    H219006   0.710   3.486  -2.407
+ 4233TIP3   OH219007  -0.230   3.594  -2.578
+ 4233TIP3    H119008  -0.240   3.525  -2.646
+ 4233TIP3    H219009  -0.255   3.546  -2.497
+ 4234TIP3   OH219010   0.171   3.191  -2.678
+ 4234TIP3    H119011   0.233   3.116  -2.676
+ 4234TIP3    H219012   0.166   3.208  -2.774
+ 4235TIP3   OH219013   0.266   3.379  -2.490
+ 4235TIP3    H119014   0.237   3.321  -2.563
+ 4235TIP3    H219015   0.198   3.448  -2.490
+ 4236TIP3   OH219016   1.210   4.368  -3.887
+ 4236TIP3    H119017   1.303   4.357  -3.911
+ 4236TIP3    H219018   1.185   4.280  -3.853
+ 4237TIP3   OH219019   1.242   4.128  -3.733
+ 4237TIP3    H119020   1.161   4.087  -3.695
+ 4237TIP3    H219021   1.293   4.153  -3.654
+ 4238TIP3   OH219022   1.260   4.109  -4.108
+ 4238TIP3    H119023   1.194   4.138  -4.173
+ 4238TIP3    H219024   1.241   4.169  -4.036
+ 4239TIP3   OH219025   1.084   3.848  -4.212
+ 4239TIP3    H119026   1.107   3.921  -4.272
+ 4239TIP3    H219027   1.114   3.771  -4.260
+ 4240TIP3   OH219028   1.021   3.967  -3.663
+ 4240TIP3    H119029   1.008   3.872  -3.679
+ 4240TIP3    H219030   0.976   3.975  -3.575
+ 4241TIP3   OH219031  -0.499   4.189  -3.260
+ 4241TIP3    H119032  -0.490   4.202  -3.355
+ 4241TIP3    H219033  -0.409   4.160  -3.234
+ 4242TIP3   OH219034   1.101   4.159  -2.744
+ 4242TIP3    H119035   1.173   4.102  -2.709
+ 4242TIP3    H219036   1.142   4.245  -2.760
+ 4243TIP3   OH219037   1.240   3.967  -2.616
+ 4243TIP3    H119038   1.160   3.914  -2.637
+ 4243TIP3    H219039   1.309   3.898  -2.615
+ 4244TIP3   OH219040   1.005   3.543  -4.325
+ 4244TIP3    H119041   1.060   3.506  -4.256
+ 4244TIP3    H219042   0.922   3.493  -4.318
+ 4245TIP3   OH219043   1.007   3.712  -3.835
+ 4245TIP3    H119044   1.029   3.617  -3.826
+ 4245TIP3    H219045   1.089   3.747  -3.872
+ 4246TIP3   OH219046   1.034   3.756  -3.287
+ 4246TIP3    H119047   1.128   3.780  -3.293
+ 4246TIP3    H219048   1.016   3.772  -3.193
+ 4247TIP3   OH219049   1.051   3.840  -3.001
+ 4247TIP3    H119050   0.962   3.877  -2.983
+ 4247TIP3    H219051   1.100   3.919  -3.029
+ 4248TIP3   OH219052  -0.501   3.717  -2.636
+ 4248TIP3    H119053  -0.407   3.689  -2.638
+ 4248TIP3    H219054  -0.546   3.631  -2.632
+ 4249TIP3   OH219055   1.306   3.253  -2.478
+ 4249TIP3    H119056   1.349   3.183  -2.531
+ 4249TIP3    H219057   1.310   3.330  -2.537
+ 4250TIP3   OH219058   1.060   3.430  -3.831
+ 4250TIP3    H119059   1.063   3.400  -3.739
+ 4250TIP3    H219060   0.982   3.382  -3.864
+ 4251TIP3   OH219061  -0.422   3.547  -3.360
+ 4251TIP3    H119062  -0.376   3.462  -3.351
+ 4251TIP3    H219063  -0.355   3.609  -3.326
+ 4252TIP3   OH219064  -0.568   3.814  -3.253
+ 4252TIP3    H119065  -0.509   3.812  -3.330
+ 4252TIP3    H219066  -0.536   3.893  -3.207
+ 4253TIP3   OH219067   1.245   3.458  -2.653
+ 4253TIP3    H119068   1.157   3.500  -2.650
+ 4253TIP3    H219069   1.234   3.402  -2.733
+ 4254TIP3   OH219070   1.260   3.470  -4.173
+ 4254TIP3    H119071   1.284   3.403  -4.237
+ 4254TIP3    H219072   1.341   3.524  -4.169
+ 4255TIP3   OH219073  -0.518   3.444  -3.856
+ 4255TIP3    H119074  -0.614   3.451  -3.871
+ 4255TIP3    H219075  -0.481   3.509  -3.920
+ 4256TIP3   OH219076  -0.515   3.335  -3.035
+ 4256TIP3    H119077  -0.586   3.311  -2.974
+ 4256TIP3    H219078  -0.564   3.390  -3.100
+ 4257TIP3   OH219079   1.131   3.280  -2.853
+ 4257TIP3    H119080   1.053   3.302  -2.907
+ 4257TIP3    H219081   1.153   3.191  -2.888
+ 4258TIP3   OH219082   0.478   3.427  -3.402
+ 4258TIP3    H119083   0.405   3.362  -3.396
+ 4258TIP3    H219084   0.534   3.388  -3.471
+ 4259TIP3   OH219085   0.970   3.230  -3.364
+ 4259TIP3    H119086   1.045   3.278  -3.403
+ 4259TIP3    H219087   0.894   3.263  -3.416
+ 4260TIP3   OH219088   1.181   3.339  -3.572
+ 4260TIP3    H119089   1.250   3.304  -3.630
+ 4260TIP3    H219090   1.206   3.433  -3.565
+ 4261TIP3   OH219091  -0.290   3.301  -3.651
+ 4261TIP3    H119092  -0.375   3.289  -3.698
+ 4261TIP3    H219093  -0.247   3.216  -3.669
+ 4262TIP3   OH219094  -0.415   3.256  -4.083
+ 4262TIP3    H119095  -0.354   3.320  -4.127
+ 4262TIP3    H219096  -0.446   3.310  -4.008
+ 4263TIP3   OH219097   0.157   3.279  -3.665
+ 4263TIP3    H119098   0.245   3.318  -3.681
+ 4263TIP3    H219099   0.155   3.276  -3.569
+ 4264TIP3   OH219100   0.721   3.286  -3.522
+ 4264TIP3    H119101   0.740   3.278  -3.616
+ 4264TIP3    H219102   0.678   3.201  -3.502
+ 4265TIP3   OH219103   0.825   3.284  -3.922
+ 4265TIP3    H119104   0.748   3.340  -3.942
+ 4265TIP3    H219105   0.785   3.195  -3.922
+ 4266TIP3   OH219106  -0.244   3.424  -4.228
+ 4266TIP3    H119107  -0.183   3.374  -4.285
+ 4266TIP3    H219108  -0.181   3.481  -4.180
+ 4267TIP3   OH219109   0.268   3.444  -3.958
+ 4267TIP3    H119110   0.312   3.395  -3.887
+ 4267TIP3    H219111   0.291   3.534  -3.931
+ 4268TIP3   OH219112  -0.311   3.324  -2.701
+ 4268TIP3    H119113  -0.351   3.243  -2.665
+ 4268TIP3    H219114  -0.219   3.313  -2.674
+ 4269TIP3   OH219115  -0.071   3.265  -2.524
+ 4269TIP3    H119116   0.011   3.230  -2.566
+ 4269TIP3    H219117  -0.108   3.184  -2.486
+ 4270TIP3   OH219118   0.741   3.185  -2.508
+ 4270TIP3    H119119   0.744   3.137  -2.423
+ 4270TIP3    H219120   0.834   3.179  -2.537
+ 4271TIP3   OH219121   2.499   4.204  -3.647
+ 4271TIP3    H119122   2.467   4.295  -3.645
+ 4271TIP3    H219123   2.425   4.160  -3.692
+ 4272TIP3   OH219124   2.380   4.132  -3.318
+ 4272TIP3    H119125   2.382   4.080  -3.236
+ 4272TIP3    H219126   2.353   4.067  -3.384
+ 4273TIP3   OH219127   1.624   4.082  -3.158
+ 4273TIP3    H119128   1.621   4.007  -3.095
+ 4273TIP3    H219129   1.696   4.134  -3.121
+ 4274TIP3   OH219130   1.395   3.887  -3.763
+ 4274TIP3    H119131   1.348   3.972  -3.753
+ 4274TIP3    H219132   1.327   3.832  -3.803
+ 4275TIP3   OH219133   1.492   4.138  -3.574
+ 4275TIP3    H119134   1.487   4.056  -3.521
+ 4275TIP3    H219135   1.566   4.116  -3.631
+ 4276TIP3   OH219136   3.089   3.527  -3.201
+ 4276TIP3    H119137   3.119   3.583  -3.127
+ 4276TIP3    H219138   3.163   3.541  -3.263
+ 4277TIP3   OH219139   2.561   3.804  -3.211
+ 4277TIP3    H119140   2.575   3.708  -3.207
+ 4277TIP3    H219141   2.551   3.818  -3.307
+ 4278TIP3   OH219142   1.859   3.605  -3.505
+ 4278TIP3    H119143   1.871   3.691  -3.550
+ 4278TIP3    H219144   1.821   3.553  -3.579
+ 4279TIP3   OH219145   2.641   3.621  -3.675
+ 4279TIP3    H119146   2.698   3.577  -3.608
+ 4279TIP3    H219147   2.708   3.665  -3.729
+ 4280TIP3   OH219148   1.526   3.879  -3.454
+ 4280TIP3    H119149   1.587   3.830  -3.397
+ 4280TIP3    H219150   1.533   3.829  -3.537
+ 4281TIP3   OH219151   2.068   4.019  -3.507
+ 4281TIP3    H119152   2.135   3.960  -3.466
+ 4281TIP3    H219153   2.013   3.954  -3.555
+ 4282TIP3   OH219154   3.172   3.662  -2.949
+ 4282TIP3    H119155   3.111   3.732  -2.980
+ 4282TIP3    H219156   3.144   3.654  -2.857
+ 4283TIP3   OH219157   1.737   3.484  -3.088
+ 4283TIP3    H119158   1.697   3.535  -3.160
+ 4283TIP3    H219159   1.672   3.499  -3.017
+ 4284TIP3   OH219160   2.008   4.267  -3.111
+ 4284TIP3    H119161   1.927   4.320  -3.108
+ 4284TIP3    H219162   2.073   4.339  -3.117
+ 4285TIP3   OH219163   2.826   3.546  -3.470
+ 4285TIP3    H119164   2.787   3.487  -3.404
+ 4285TIP3    H219165   2.879   3.606  -3.414
+ 4286TIP3   OH219166   1.698   3.688  -3.294
+ 4286TIP3    H119167   1.762   3.746  -3.248
+ 4286TIP3    H219168   1.756   3.652  -3.365
+ 4287TIP3   OH219169   2.837   3.461  -3.084
+ 4287TIP3    H119170   2.760   3.500  -3.130
+ 4287TIP3    H219171   2.910   3.482  -3.146
+ 4288TIP3   OH219172   2.152   3.234  -3.381
+ 4288TIP3    H119173   2.129   3.139  -3.385
+ 4288TIP3    H219174   2.069   3.272  -3.343
+ 4289TIP3   OH219175   2.354   4.140  -3.909
+ 4289TIP3    H119176   2.289   4.183  -3.966
+ 4289TIP3    H219177   2.430   4.135  -3.968
+ 4290TIP3   OH219178   2.386   3.951  -4.203
+ 4290TIP3    H119179   2.457   3.981  -4.144
+ 4290TIP3    H219180   2.437   3.890  -4.261
+ 4291TIP3   OH219181   3.103   4.057  -3.079
+ 4291TIP3    H119182   3.036   4.128  -3.068
+ 4291TIP3    H219183   3.152   4.094  -3.155
+ 4292TIP3   OH219184   2.720   4.141  -3.807
+ 4292TIP3    H119185   2.654   4.161  -3.738
+ 4292TIP3    H219186   2.786   4.089  -3.757
+ 4293TIP3   OH219187   2.694   3.982  -2.912
+ 4293TIP3    H119188   2.696   4.061  -2.856
+ 4293TIP3    H219189   2.636   4.015  -2.983
+ 4294TIP3   OH219190   1.872   4.205  -3.611
+ 4294TIP3    H119191   1.852   4.179  -3.702
+ 4294TIP3    H219192   1.951   4.153  -3.592
+ 4295TIP3   OH219193   1.929   4.066  -3.269
+ 4295TIP3    H119194   1.985   4.074  -3.349
+ 4295TIP3    H219195   1.959   4.142  -3.215
+ 4296TIP3   OH219196   2.618   4.078  -4.056
+ 4296TIP3    H119197   2.669   4.102  -3.975
+ 4296TIP3    H219198   2.679   4.109  -4.126
+ 4297TIP3   OH219199   1.713   4.147  -2.884
+ 4297TIP3    H119200   1.724   4.210  -2.809
+ 4297TIP3    H219201   1.616   4.139  -2.886
+ 4298TIP3   OH219202   2.964   3.241  -4.081
+ 4298TIP3    H119203   2.871   3.250  -4.056
+ 4298TIP3    H219204   2.988   3.333  -4.100
+ 4299TIP3   OH219205   1.763   4.087  -3.861
+ 4299TIP3    H119206   1.742   4.166  -3.916
+ 4299TIP3    H219207   1.697   4.024  -3.892
+ 4300TIP3   OH219208   1.361   4.310  -2.981
+ 4300TIP3    H119209   1.357   4.292  -3.076
+ 4300TIP3    H219210   1.391   4.223  -2.946
+ 4301TIP3   OH219211   2.893   3.839  -2.678
+ 4301TIP3    H119212   2.842   3.875  -2.752
+ 4301TIP3    H219213   2.898   3.744  -2.704
+ 4302TIP3   OH219214   1.910   3.348  -3.289
+ 4302TIP3    H119215   1.827   3.342  -3.340
+ 4302TIP3    H219216   1.887   3.422  -3.230
+ 4303TIP3   OH219217   2.346   3.306  -2.924
+ 4303TIP3    H119218   2.399   3.253  -2.861
+ 4303TIP3    H219219   2.256   3.272  -2.912
+ 4304TIP3   OH219220   2.664   3.686  -2.871
+ 4304TIP3    H119221   2.601   3.670  -2.798
+ 4304TIP3    H219222   2.653   3.781  -2.889
+ 4305TIP3   OH219223   2.816   4.146  -4.251
+ 4305TIP3    H119224   2.799   4.153  -4.346
+ 4305TIP3    H219225   2.863   4.230  -4.233
+ 4306TIP3   OH219226   2.329   3.545  -4.216
+ 4306TIP3    H119227   2.273   3.551  -4.138
+ 4306TIP3    H219228   2.284   3.476  -4.266
+ 4307TIP3   OH219229   1.896   3.824  -3.144
+ 4307TIP3    H119230   1.833   3.838  -3.071
+ 4307TIP3    H219231   1.904   3.914  -3.182
+ 4308TIP3   OH219232   1.889   3.835  -3.661
+ 4308TIP3    H119233   1.793   3.826  -3.677
+ 4308TIP3    H219234   1.923   3.816  -3.751
+ 4309TIP3   OH219235   2.459   3.897  -3.784
+ 4309TIP3    H119236   2.412   3.972  -3.823
+ 4309TIP3    H219237   2.521   3.872  -3.855
+ 4310TIP3   OH219238   2.370   3.922  -2.637
+ 4310TIP3    H119239   2.319   3.844  -2.607
+ 4310TIP3    H219240   2.459   3.903  -2.601
+ 4311TIP3   OH219241   2.534   3.829  -3.507
+ 4311TIP3    H119242   2.509   3.884  -3.583
+ 4311TIP3    H219243   2.559   3.747  -3.554
+ 4312TIP3   OH219244   1.637   3.840  -2.969
+ 4312TIP3    H119245   1.653   3.879  -2.882
+ 4312TIP3    H219246   1.598   3.754  -2.945
+ 4313TIP3   OH219247   2.004   3.580  -4.314
+ 4313TIP3    H119248   1.968   3.558  -4.226
+ 4313TIP3    H219249   1.931   3.635  -4.349
+ 4314TIP3   OH219250   1.316   3.593  -3.602
+ 4314TIP3    H119251   1.376   3.586  -3.525
+ 4314TIP3    H219252   1.365   3.550  -3.673
+ 4315TIP3   OH219253   1.472   3.634  -4.038
+ 4315TIP3    H119254   1.527   3.684  -4.102
+ 4315TIP3    H219255   1.403   3.700  -4.018
+ 4316TIP3   OH219256   2.434   3.997  -3.060
+ 4316TIP3    H119257   2.486   3.930  -3.110
+ 4316TIP3    H219258   2.403   3.944  -2.985
+ 4317TIP3   OH219259   2.167   3.593  -3.557
+ 4317TIP3    H119260   2.072   3.591  -3.535
+ 4317TIP3    H219261   2.207   3.575  -3.471
+ 4318TIP3   OH219262   1.624   3.715  -3.690
+ 4318TIP3    H119263   1.541   3.743  -3.734
+ 4318TIP3    H219264   1.651   3.637  -3.741
+ 4319TIP3   OH219265   1.985   3.755  -3.923
+ 4319TIP3    H119266   2.082   3.762  -3.918
+ 4319TIP3    H219267   1.960   3.812  -3.998
+ 4320TIP3   OH219268   2.604   3.507  -3.255
+ 4320TIP3    H119269   2.540   3.509  -3.181
+ 4320TIP3    H219270   2.547   3.474  -3.326
+ 4321TIP3   OH219271   1.844   3.867  -4.156
+ 4321TIP3    H119272   1.781   3.820  -4.214
+ 4321TIP3    H219273   1.916   3.890  -4.217
+ 4322TIP3   OH219274   1.724   4.316  -2.677
+ 4322TIP3    H119275   1.779   4.365  -2.613
+ 4322TIP3    H219276   1.643   4.304  -2.624
+ 4323TIP3   OH219277   2.267   3.850  -3.375
+ 4323TIP3    H119278   2.342   3.807  -3.420
+ 4323TIP3    H219279   2.253   3.790  -3.299
+ 4324TIP3   OH219280   1.800   3.489  -3.763
+ 4324TIP3    H119281   1.743   3.412  -3.747
+ 4324TIP3    H219282   1.882   3.450  -3.795
+ 4325TIP3   OH219283   2.165   3.695  -3.151
+ 4325TIP3    H119284   2.087   3.752  -3.149
+ 4325TIP3    H219285   2.214   3.721  -3.071
+ 4326TIP3   OH219286   2.148   4.360  -3.946
+ 4326TIP3    H119287   2.095   4.294  -3.995
+ 4326TIP3    H219288   2.178   4.314  -3.867
+ 4327TIP3   OH219289   2.926   4.267  -3.093
+ 4327TIP3    H119290   2.950   4.312  -3.176
+ 4327TIP3    H219291   2.831   4.255  -3.111
+ 4328TIP3   OH219292   2.594   3.611  -4.185
+ 4328TIP3    H119293   2.496   3.608  -4.186
+ 4328TIP3    H219294   2.616   3.685  -4.126
+ 4329TIP3   OH219295   2.655   3.795  -3.985
+ 4329TIP3    H119296   2.742   3.775  -3.945
+ 4329TIP3    H219297   2.673   3.879  -4.030
+ 4330TIP3   OH219298   1.726   4.253  -3.387
+ 4330TIP3    H119299   1.781   4.240  -3.467
+ 4330TIP3    H219300   1.728   4.164  -3.349
+ 4331TIP3   OH219301   1.428   4.078  -2.857
+ 4331TIP3    H119302   1.434   4.042  -2.766
+ 4331TIP3    H219303   1.350   4.032  -2.894
+ 4332TIP3   OH219304   2.115   4.051  -2.651
+ 4332TIP3    H119305   2.079   4.027  -2.739
+ 4332TIP3    H219306   2.209   4.027  -2.662
+ 4333TIP3   OH219307   3.128   3.806  -3.997
+ 4333TIP3    H119308   3.067   3.784  -4.070
+ 4333TIP3    H219309   3.139   3.901  -4.018
+ 4334TIP3   OH219310   2.668   4.183  -3.227
+ 4334TIP3    H119311   2.576   4.181  -3.258
+ 4334TIP3    H219312   2.715   4.133  -3.296
+ 4335TIP3   OH219313   1.537   4.085  -4.197
+ 4335TIP3    H119314   1.589   4.155  -4.156
+ 4335TIP3    H219315   1.446   4.109  -4.171
+ 4336TIP3   OH219316   1.549   3.566  -2.888
+ 4336TIP3    H119317   1.459   3.590  -2.916
+ 4336TIP3    H219318   1.534   3.477  -2.850
+ 4337TIP3   OH219319   1.696  -4.394  -4.009
+ 4337TIP3    H119320   1.605  -4.358  -4.004
+ 4337TIP3    H219321   1.743  -4.316  -4.041
+ 4338TIP3   OH219322   2.446   3.549  -3.035
+ 4338TIP3    H119323   2.508   3.575  -2.965
+ 4338TIP3    H219324   2.398   3.475  -2.994
+ 4339TIP3   OH219325   2.507   3.503  -3.921
+ 4339TIP3    H119326   2.538   3.552  -3.999
+ 4339TIP3    H219327   2.559   3.543  -3.850
+ 4340TIP3   OH219328   2.252   3.696  -3.815
+ 4340TIP3    H119329   2.332   3.749  -3.798
+ 4340TIP3    H219330   2.222   3.677  -3.724
+ 4341TIP3   OH219331   2.293   3.792  -2.898
+ 4341TIP3    H119332   2.296   3.840  -2.814
+ 4341TIP3    H219333   2.340   3.710  -2.876
+ 4342TIP3   OH219334   2.314   3.395  -3.725
+ 4342TIP3    H119335   2.294   3.463  -3.657
+ 4342TIP3    H219336   2.386   3.439  -3.775
+ 4343TIP3   OH219337   1.886   3.502  -4.080
+ 4343TIP3    H119338   1.877   3.573  -4.015
+ 4343TIP3    H219339   1.961   3.452  -4.043
+ 4344TIP3   OH219340   2.917   3.585  -2.810
+ 4344TIP3    H119341   2.821   3.597  -2.825
+ 4344TIP3    H219342   2.942   3.561  -2.901
+ 4345TIP3   OH219343   2.768   3.969  -3.415
+ 4345TIP3    H119344   2.684   3.923  -3.435
+ 4345TIP3    H219345   2.816   3.901  -3.363
+ 4346TIP3   OH219346   1.546   3.808  -4.258
+ 4346TIP3    H119347   1.558   3.903  -4.240
+ 4346TIP3    H219348   1.453   3.806  -4.289
+ 4347TIP3   OH219349   1.633   3.303  -3.371
+ 4347TIP3    H119350   1.612   3.303  -3.467
+ 4347TIP3    H219351   1.596   3.218  -3.341
+ 4348TIP3   OH219352   1.480   4.307  -2.566
+ 4348TIP3    H119353   1.457   4.212  -2.564
+ 4348TIP3    H219354   1.399   4.351  -2.593
+ 4349TIP3   OH219355   2.072   4.328  -2.612
+ 4349TIP3    H119356   2.072   4.346  -2.708
+ 4349TIP3    H219357   2.103   4.236  -2.609
+ 4350TIP3   OH219358   2.672  -4.376  -2.837
+ 4350TIP3    H119359   2.750  -4.331  -2.872
+ 4350TIP3    H219360   2.602  -4.313  -2.860
+ 4351TIP3   OH219361   1.536   4.023  -2.592
+ 4351TIP3    H119362   1.615   3.966  -2.600
+ 4351TIP3    H219363   1.538   4.045  -2.497
+ 4352TIP3   OH219364   2.000   4.156  -4.082
+ 4352TIP3    H119365   1.927   4.122  -4.029
+ 4352TIP3    H219366   2.014   4.083  -4.145
+ 4353TIP3   OH219367   1.912   3.934  -2.850
+ 4353TIP3    H119368   1.852   4.010  -2.837
+ 4353TIP3    H219369   1.972   3.969  -2.918
+ 4354TIP3   OH219370   2.106   3.957  -4.269
+ 4354TIP3    H119371   2.103   3.947  -4.365
+ 4354TIP3    H219372   2.202   3.965  -4.253
+ 4355TIP3   OH219373   2.444   4.216  -2.493
+ 4355TIP3    H119374   2.526   4.192  -2.539
+ 4355TIP3    H219375   2.402   4.131  -2.477
+ 4356TIP3   OH219376   1.968   3.664  -2.742
+ 4356TIP3    H119377   1.973   3.598  -2.813
+ 4356TIP3    H219378   1.946   3.745  -2.791
+ 4357TIP3   OH219379   2.000   3.510  -2.997
+ 4357TIP3    H119380   2.051   3.563  -3.061
+ 4357TIP3    H219381   1.909   3.514  -3.033
+ 4358TIP3   OH219382   2.151   4.068  -2.966
+ 4358TIP3    H119383   2.234   4.056  -3.014
+ 4358TIP3    H219384   2.114   4.148  -3.006
+ 4359TIP3   OH219385   2.615   3.850  -2.478
+ 4359TIP3    H119386   2.632   3.755  -2.466
+ 4359TIP3    H219387   2.706   3.884  -2.487
+ 4360TIP3   OH219388   2.708   4.138  -2.640
+ 4360TIP3    H119389   2.685   4.209  -2.704
+ 4360TIP3    H219390   2.798   4.116  -2.672
+ 4361TIP3   OH219391   1.782   3.850  -2.562
+ 4361TIP3    H119392   1.732   3.767  -2.564
+ 4361TIP3    H219393   1.864   3.825  -2.606
+ 4362TIP3   OH219394   2.072   3.243  -2.961
+ 4362TIP3    H119395   2.055   3.338  -2.978
+ 4362TIP3    H219396   2.002   3.202  -3.015
+ 4363TIP3   OH219397   2.199   3.702  -2.584
+ 4363TIP3    H119398   2.164   3.681  -2.495
+ 4363TIP3    H219399   2.120   3.682  -2.638
+ 4364TIP3   OH219400   2.452   3.608  -2.695
+ 4364TIP3    H119401   2.364   3.612  -2.654
+ 4364TIP3    H219402   2.498   3.543  -2.638
+ 4365TIP3   OH219403   2.638   3.454  -2.523
+ 4365TIP3    H119404   2.622   3.359  -2.509
+ 4365TIP3    H219405   2.618   3.494  -2.437
+ 4366TIP3   OH219406   1.655   3.594  -2.578
+ 4366TIP3    H119407   1.646   3.525  -2.645
+ 4366TIP3    H219408   1.631   3.546  -2.497
+ 4367TIP3   OH219409   2.056   3.192  -2.680
+ 4367TIP3    H119410   2.115   3.115  -2.675
+ 4367TIP3    H219411   2.053   3.207  -2.776
+ 4368TIP3   OH219412   2.151   3.379  -2.495
+ 4368TIP3    H119413   2.120   3.319  -2.566
+ 4368TIP3    H219414   2.081   3.447  -2.493
+ 4369TIP3   OH219415   3.091   4.363  -3.892
+ 4369TIP3    H119416   3.185   4.363  -3.911
+ 4369TIP3    H219417   3.075   4.277  -3.851
+ 4370TIP3   OH219418   3.127   4.130  -3.732
+ 4370TIP3    H119419   3.048   4.086  -3.693
+ 4370TIP3    H219420   3.180   4.151  -3.654
+ 4371TIP3   OH219421   3.144   4.107  -4.106
+ 4371TIP3    H119422   3.081   4.137  -4.173
+ 4371TIP3    H219423   3.129   4.172  -4.037
+ 4372TIP3   OH219424   2.968   3.849  -4.211
+ 4372TIP3    H119425   2.995   3.918  -4.274
+ 4372TIP3    H219426   2.996   3.769  -4.257
+ 4373TIP3   OH219427   2.900   3.966  -3.657
+ 4373TIP3    H119428   2.897   3.870  -3.672
+ 4373TIP3    H219429   2.864   3.973  -3.566
+ 4374TIP3   OH219430   1.387   4.189  -3.260
+ 4374TIP3    H119431   1.395   4.203  -3.355
+ 4374TIP3    H219432   1.477   4.160  -3.235
+ 4375TIP3   OH219433   2.985   4.161  -2.735
+ 4375TIP3    H119434   3.059   4.101  -2.711
+ 4375TIP3    H219435   3.028   4.245  -2.760
+ 4376TIP3   OH219436   3.127   3.965  -2.616
+ 4376TIP3    H119437   3.046   3.914  -2.639
+ 4376TIP3    H219438   3.195   3.895  -2.615
+ 4377TIP3   OH219439   2.887   3.550  -4.321
+ 4377TIP3    H119440   2.951   3.501  -4.267
+ 4377TIP3    H219441   2.808   3.493  -4.320
+ 4378TIP3   OH219442   2.891   3.710  -3.835
+ 4378TIP3    H119443   2.916   3.615  -3.829
+ 4378TIP3    H219444   2.973   3.747  -3.873
+ 4379TIP3   OH219445   2.919   3.771  -3.290
+ 4379TIP3    H119446   3.017   3.776  -3.292
+ 4379TIP3    H219447   2.905   3.770  -3.194
+ 4380TIP3   OH219448   2.938   3.838  -3.003
+ 4380TIP3    H119449   2.851   3.875  -2.982
+ 4380TIP3    H219450   2.988   3.917  -3.031
+ 4381TIP3   OH219451   1.385   3.716  -2.636
+ 4381TIP3    H119452   1.479   3.690  -2.638
+ 4381TIP3    H219453   1.341   3.630  -2.633
+ 4382TIP3   OH219454   3.192   3.253  -2.478
+ 4382TIP3    H119455   3.234   3.184  -2.532
+ 4382TIP3    H219456   3.196   3.330  -2.537
+ 4383TIP3   OH219457   2.938   3.434  -3.832
+ 4383TIP3    H119458   2.961   3.395  -3.746
+ 4383TIP3    H219459   2.863   3.378  -3.860
+ 4384TIP3   OH219460   1.464   3.547  -3.362
+ 4384TIP3    H119461   1.509   3.462  -3.351
+ 4384TIP3    H219462   1.531   3.608  -3.324
+ 4385TIP3   OH219463   1.320   3.813  -3.250
+ 4385TIP3    H119464   1.374   3.812  -3.330
+ 4385TIP3    H219465   1.350   3.895  -3.208
+ 4386TIP3   OH219466   3.131   3.460  -2.654
+ 4386TIP3    H119467   3.042   3.499  -2.651
+ 4386TIP3    H219468   3.121   3.403  -2.732
+ 4387TIP3   OH219469   3.143   3.476  -4.180
+ 4387TIP3    H119470   3.174   3.398  -4.227
+ 4387TIP3    H219471   3.227   3.524  -4.164
+ 4388TIP3   OH219472   1.367   3.447  -3.853
+ 4388TIP3    H119473   1.271   3.451  -3.870
+ 4388TIP3    H219474   1.403   3.509  -3.920
+ 4389TIP3   OH219475   1.372   3.337  -3.034
+ 4389TIP3    H119476   1.300   3.310  -2.976
+ 4389TIP3    H219477   1.323   3.391  -3.100
+ 4390TIP3   OH219478   3.016   3.280  -2.855
+ 4390TIP3    H119479   2.936   3.299  -2.907
+ 4390TIP3    H219480   3.039   3.191  -2.887
+ 4391TIP3   OH219481   2.360   3.430  -3.409
+ 4391TIP3    H119482   2.291   3.362  -3.395
+ 4391TIP3    H219483   2.421   3.383  -3.469
+ 4392TIP3   OH219484   2.857   3.233  -3.362
+ 4392TIP3    H119485   2.933   3.277  -3.405
+ 4392TIP3    H219486   2.783   3.262  -3.417
+ 4393TIP3   OH219487   3.066   3.339  -3.588
+ 4393TIP3    H119488   3.148   3.304  -3.627
+ 4393TIP3    H219489   3.095   3.429  -3.566
+ 4394TIP3   OH219490   1.597   3.302  -3.653
+ 4394TIP3    H119491   1.510   3.290  -3.697
+ 4394TIP3    H219492   1.638   3.215  -3.668
+ 4395TIP3   OH219493   1.475   3.256  -4.081
+ 4395TIP3    H119494   1.532   3.322  -4.127
+ 4395TIP3    H219495   1.439   3.310  -4.008
+ 4396TIP3   OH219496   2.043   3.282  -3.666
+ 4396TIP3    H119497   2.133   3.315  -3.679
+ 4396TIP3    H219498   2.039   3.276  -3.570
+ 4397TIP3   OH219499   2.601   3.289  -3.524
+ 4397TIP3    H119500   2.628   3.274  -3.616
+ 4397TIP3    H219501   2.564   3.202  -3.500
+ 4398TIP3   OH219502   2.706   3.285  -3.919
+ 4398TIP3    H119503   2.628   3.332  -3.952
+ 4398TIP3    H219504   2.674   3.193  -3.917
+ 4399TIP3   OH219505   1.642   3.427  -4.230
+ 4399TIP3    H119506   1.700   3.371  -4.283
+ 4399TIP3    H219507   1.706   3.480  -4.181
+ 4400TIP3   OH219508   2.153   3.445  -3.959
+ 4400TIP3    H119509   2.194   3.394  -3.888
+ 4400TIP3    H219510   2.176   3.535  -3.930
+ 4401TIP3   OH219511   1.574   3.324  -2.700
+ 4401TIP3    H119512   1.536   3.242  -2.665
+ 4401TIP3    H219513   1.667   3.312  -2.674
+ 4402TIP3   OH219514   1.813   3.263  -2.527
+ 4402TIP3    H119515   1.895   3.229  -2.567
+ 4402TIP3    H219516   1.779   3.184  -2.484
+ 4403TIP3   OH219517   2.626   3.174  -2.510
+ 4403TIP3    H119518   2.629   3.133  -2.422
+ 4403TIP3    H219519   2.720   3.171  -2.536
+ 4404TIP3   OH219520   4.185   4.078  -3.321
+ 4404TIP3    H119521   4.254   4.107  -3.259
+ 4404TIP3    H219522   4.239   4.075  -3.401
+ 4405TIP3   OH219523   3.523   4.082  -3.162
+ 4405TIP3    H119524   3.512   4.008  -3.100
+ 4405TIP3    H219525   3.582   4.139  -3.111
+ 4406TIP3   OH219526   3.280   3.888  -3.758
+ 4406TIP3    H119527   3.231   3.972  -3.756
+ 4406TIP3    H219528   3.217   3.830  -3.804
+ 4407TIP3   OH219529   3.380   4.137  -3.572
+ 4407TIP3    H119530   3.374   4.054  -3.522
+ 4407TIP3    H219531   3.448   4.112  -3.636
+ 4408TIP3   OH219532   3.795   3.622  -3.497
+ 4408TIP3    H119533   3.766   3.686  -3.565
+ 4408TIP3    H219534   3.757   3.540  -3.534
+ 4409TIP3   OH219535   3.414   3.878  -3.453
+ 4409TIP3    H119536   3.475   3.825  -3.400
+ 4409TIP3    H219537   3.416   3.830  -3.537
+ 4410TIP3   OH219538   3.628   3.489  -3.092
+ 4410TIP3    H119539   3.576   3.525  -3.165
+ 4410TIP3    H219540   3.564   3.498  -3.019
+ 4411TIP3   OH219541   3.869   4.264  -3.109
+ 4411TIP3    H119542   3.796   4.326  -3.123
+ 4411TIP3    H219543   3.944   4.325  -3.115
+ 4412TIP3   OH219544   3.592   3.692  -3.313
+ 4412TIP3    H119545   3.657   3.742  -3.260
+ 4412TIP3    H219546   3.652   3.646  -3.376
+ 4413TIP3   OH219547   4.031   3.237  -3.363
+ 4413TIP3    H119548   4.010   3.142  -3.371
+ 4413TIP3    H219549   3.944   3.273  -3.339
+ 4414TIP3   OH219550   4.266   4.122  -3.912
+ 4414TIP3    H119551   4.198   4.188  -3.936
+ 4414TIP3    H219552   4.332   4.140  -3.979
+ 4415TIP3   OH219553   4.291   3.967  -4.195
+ 4415TIP3    H119554   4.373   3.967  -4.144
+ 4415TIP3    H219555   4.297   3.888  -4.248
+ 4416TIP3   OH219556   3.779   4.180  -3.595
+ 4416TIP3    H119557   3.750   4.183  -3.689
+ 4416TIP3    H219558   3.830   4.099  -3.596
+ 4417TIP3   OH219559   3.848   4.061  -3.292
+ 4417TIP3    H119560   3.898   4.109  -3.359
+ 4417TIP3    H219561   3.842   4.130  -3.222
+ 4418TIP3   OH219562   3.596   4.149  -2.887
+ 4418TIP3    H119563   3.609   4.211  -2.811
+ 4418TIP3    H219564   3.500   4.139  -2.885
+ 4419TIP3   OH219565   3.643   4.090  -3.849
+ 4419TIP3    H119566   3.628   4.166  -3.910
+ 4419TIP3    H219567   3.589   4.021  -3.890
+ 4420TIP3   OH219568   3.250   4.310  -2.981
+ 4420TIP3    H119569   3.242   4.291  -3.076
+ 4420TIP3    H219570   3.275   4.223  -2.945
+ 4421TIP3   OH219571   3.759   3.332  -3.310
+ 4421TIP3    H119572   3.681   3.331  -3.371
+ 4421TIP3    H219573   3.729   3.396  -3.244
+ 4422TIP3   OH219574   4.233   3.283  -2.864
+ 4422TIP3    H119575   4.246   3.212  -2.799
+ 4422TIP3    H219576   4.141   3.265  -2.893
+ 4423TIP3   OH219577   4.207   3.573  -4.214
+ 4423TIP3    H119578   4.162   3.538  -4.136
+ 4423TIP3    H219579   4.230   3.491  -4.260
+ 4424TIP3   OH219580   3.780   3.825  -3.152
+ 4424TIP3    H119581   3.718   3.829  -3.076
+ 4424TIP3    H219582   3.784   3.918  -3.181
+ 4425TIP3   OH219583   3.799   3.857  -3.645
+ 4425TIP3    H119584   3.702   3.857  -3.659
+ 4425TIP3    H219585   3.828   3.838  -3.737
+ 4426TIP3   OH219586   4.263   3.875  -3.715
+ 4426TIP3    H119587   4.266   3.963  -3.757
+ 4426TIP3    H219588   4.357   3.852  -3.706
+ 4427TIP3   OH219589   4.254   3.922  -2.598
+ 4427TIP3    H119590   4.198   3.842  -2.601
+ 4427TIP3    H219591   4.340   3.882  -2.619
+ 4428TIP3   OH219592   3.521   3.842  -2.969
+ 4428TIP3    H119593   3.540   3.876  -2.881
+ 4428TIP3    H219594   3.482   3.755  -2.948
+ 4429TIP3   OH219595   3.888   3.578  -4.323
+ 4429TIP3    H119596   3.862   3.560  -4.231
+ 4429TIP3    H219597   3.815   3.637  -4.351
+ 4430TIP3   OH219598   3.213   3.596  -3.588
+ 4430TIP3    H119599   3.277   3.569  -3.520
+ 4430TIP3    H219600   3.248   3.553  -3.668
+ 4431TIP3   OH219601   3.355   3.631  -4.044
+ 4431TIP3    H119602   3.414   3.683  -4.103
+ 4431TIP3    H219603   3.290   3.698  -4.017
+ 4432TIP3   OH219604   4.349   3.962  -3.027
+ 4432TIP3    H119605   4.371   3.898  -3.098
+ 4432TIP3    H219606   4.274   3.916  -2.986
+ 4433TIP3   OH219607   3.526   3.722  -3.689
+ 4433TIP3    H119608   3.439   3.738  -3.730
+ 4433TIP3    H219609   3.551   3.636  -3.728
+ 4434TIP3   OH219610   3.868   3.776  -3.909
+ 4434TIP3    H119611   3.963   3.758  -3.919
+ 4434TIP3    H219612   3.842   3.811  -3.996
+ 4435TIP3   OH219613   3.731   3.868  -4.156
+ 4435TIP3    H119614   3.670   3.818  -4.213
+ 4435TIP3    H219615   3.804   3.889  -4.216
+ 4436TIP3   OH219616   3.607   4.314  -2.676
+ 4436TIP3    H119617   3.666   4.363  -2.616
+ 4436TIP3    H219618   3.528   4.305  -2.618
+ 4437TIP3   OH219619   3.682   3.482  -3.780
+ 4437TIP3    H119620   3.630   3.418  -3.728
+ 4437TIP3    H219621   3.766   3.435  -3.789
+ 4438TIP3   OH219622   4.039   3.713  -3.179
+ 4438TIP3    H119623   3.968   3.758  -3.130
+ 4438TIP3    H219624   4.115   3.728  -3.119
+ 4439TIP3   OH219625   4.070   4.330  -3.951
+ 4439TIP3    H119626   3.995   4.288  -3.998
+ 4439TIP3    H219627   4.043   4.325  -3.858
+ 4440TIP3   OH219628   3.621   4.255  -3.387
+ 4440TIP3    H119629   3.679   4.236  -3.463
+ 4440TIP3    H219630   3.605   4.166  -3.352
+ 4441TIP3   OH219631   3.310   4.079  -2.854
+ 4441TIP3    H119632   3.319   4.039  -2.766
+ 4441TIP3    H219633   3.237   4.029  -2.895
+ 4442TIP3   OH219634   4.001   4.048  -2.649
+ 4442TIP3    H119635   3.970   4.021  -2.737
+ 4442TIP3    H219636   4.097   4.032  -2.655
+ 4443TIP3   OH219637   3.422   4.086  -4.197
+ 4443TIP3    H119638   3.476   4.155  -4.157
+ 4443TIP3    H219639   3.332   4.111  -4.171
+ 4444TIP3   OH219640   3.435   3.566  -2.888
+ 4444TIP3    H119641   3.346   3.590  -2.919
+ 4444TIP3    H219642   3.420   3.477  -2.852
+ 4445TIP3   OH219643   3.581  -4.393  -4.007
+ 4445TIP3    H119644   3.490  -4.357  -4.005
+ 4445TIP3    H219645   3.629  -4.318  -4.045
+ 4446TIP3   OH219646   4.331   3.593  -2.983
+ 4446TIP3    H119647   4.388   3.522  -2.955
+ 4446TIP3    H219648   4.276   3.547  -3.048
+ 4447TIP3   OH219649   4.118   3.668  -3.803
+ 4447TIP3    H119650   4.188   3.736  -3.794
+ 4447TIP3    H219651   4.093   3.663  -3.711
+ 4448TIP3   OH219652   4.169   3.791  -2.896
+ 4448TIP3    H119653   4.186   3.830  -2.810
+ 4448TIP3    H219654   4.231   3.716  -2.899
+ 4449TIP3   OH219655   4.189   3.392  -3.696
+ 4449TIP3    H119656   4.188   3.472  -3.642
+ 4449TIP3    H219657   4.268   3.412  -3.750
+ 4450TIP3   OH219658   3.775   3.506  -4.086
+ 4450TIP3    H119659   3.753   3.564  -4.010
+ 4450TIP3    H219660   3.844   3.450  -4.049
+ 4451TIP3   OH219661   3.432   3.809  -4.261
+ 4451TIP3    H119662   3.444   3.904  -4.241
+ 4451TIP3    H219663   3.338   3.806  -4.287
+ 4452TIP3   OH219664   3.360   4.306  -2.557
+ 4452TIP3    H119665   3.349   4.210  -2.569
+ 4452TIP3    H219666   3.284   4.345  -2.603
+ 4453TIP3   OH219667   3.956   4.332  -2.610
+ 4453TIP3    H119668   3.960   4.346  -2.707
+ 4453TIP3    H219669   3.996   4.244  -2.601
+ 4454TIP3   OH219670   3.423   4.028  -2.592
+ 4454TIP3    H119671   3.500   3.968  -2.601
+ 4454TIP3    H219672   3.421   4.042  -2.496
+ 4455TIP3   OH219673   3.878   4.159  -4.079
+ 4455TIP3    H119674   3.812   4.113  -4.026
+ 4455TIP3    H219675   3.903   4.090  -4.143
+ 4456TIP3   OH219676   3.799   3.934  -2.855
+ 4456TIP3    H119677   3.740   4.009  -2.835
+ 4456TIP3    H219678   3.858   3.973  -2.922
+ 4457TIP3   OH219679   3.999   3.957  -4.270
+ 4457TIP3    H119680   3.987   3.955  -4.366
+ 4457TIP3    H219681   4.092   3.983  -4.263
+ 4458TIP3   OH219682   4.277   4.197  -2.493
+ 4458TIP3    H119683   4.348   4.175  -2.553
+ 4458TIP3    H219684   4.252   4.109  -2.463
+ 4459TIP3   OH219685   3.858   3.664  -2.740
+ 4459TIP3    H119686   3.862   3.599  -2.812
+ 4459TIP3    H219687   3.837   3.746  -2.788
+ 4460TIP3   OH219688   3.889   3.515  -3.002
+ 4460TIP3    H119689   3.934   3.563  -3.073
+ 4460TIP3    H219690   3.797   3.510  -3.034
+ 4461TIP3   OH219691   4.052   4.060  -2.977
+ 4461TIP3    H119692   4.133   4.056  -3.029
+ 4461TIP3    H219693   4.021   4.150  -2.994
+ 4462TIP3   OH219694   3.667   3.851  -2.566
+ 4462TIP3    H119695   3.617   3.767  -2.564
+ 4462TIP3    H219696   3.751   3.823  -2.605
+ 4463TIP3   OH219697   3.973   3.249  -2.961
+ 4463TIP3    H119698   3.947   3.342  -2.977
+ 4463TIP3    H219699   3.906   3.202  -3.016
+ 4464TIP3   OH219700   4.103   3.694  -2.589
+ 4464TIP3    H119701   4.069   3.670  -2.502
+ 4464TIP3    H219702   4.027   3.671  -2.645
+ 4465TIP3   OH219703   3.540   3.595  -2.579
+ 4465TIP3    H119704   3.530   3.524  -2.645
+ 4465TIP3    H219705   3.517   3.546  -2.497
+ 4466TIP3   OH219706   3.945   3.194  -2.678
+ 4466TIP3    H119707   4.005   3.118  -2.674
+ 4466TIP3    H219708   3.941   3.208  -2.775
+ 4467TIP3   OH219709   4.036   3.375  -2.485
+ 4467TIP3    H119710   4.008   3.319  -2.560
+ 4467TIP3    H219711   3.971   3.447  -2.488
+ 4468TIP3   OH219712   3.274   4.187  -3.259
+ 4468TIP3    H119713   3.281   4.200  -3.355
+ 4468TIP3    H219714   3.365   4.160  -3.236
+ 4469TIP3   OH219715   3.271   3.717  -2.634
+ 4469TIP3    H119716   3.364   3.689  -2.638
+ 4469TIP3    H219717   3.226   3.631  -2.633
+ 4470TIP3   OH219718   3.352   3.529  -3.307
+ 4470TIP3    H119719   3.390   3.454  -3.358
+ 4470TIP3    H219720   3.425   3.593  -3.316
+ 4471TIP3   OH219721   3.201   3.818  -3.253
+ 4471TIP3    H119722   3.260   3.809  -3.330
+ 4471TIP3    H219723   3.238   3.896  -3.210
+ 4472TIP3   OH219724   3.243   3.465  -3.841
+ 4472TIP3    H119725   3.152   3.454  -3.874
+ 4472TIP3    H219726   3.289   3.506  -3.916
+ 4473TIP3   OH219727   3.258   3.338  -3.026
+ 4473TIP3    H119728   3.180   3.311  -2.976
+ 4473TIP3    H219729   3.219   3.386  -3.101
+ 4474TIP3   OH219730   4.252   3.407  -3.406
+ 4474TIP3    H119731   4.172   3.353  -3.393
+ 4474TIP3    H219732   4.295   3.362  -3.480
+ 4475TIP3   OH219733   3.349   3.263  -4.090
+ 4475TIP3    H119734   3.416   3.324  -4.127
+ 4475TIP3    H219735   3.334   3.300  -4.002
+ 4476TIP3   OH219736   3.930   3.293  -3.668
+ 4476TIP3    H119737   4.026   3.311  -3.671
+ 4476TIP3    H219738   3.917   3.276  -3.574
+ 4477TIP3   OH219739   3.527   3.429  -4.233
+ 4477TIP3    H119740   3.586   3.370  -4.283
+ 4477TIP3    H219741   3.592   3.483  -4.184
+ 4478TIP3   OH219742   4.062   3.446  -3.965
+ 4478TIP3    H119743   4.065   3.388  -3.888
+ 4478TIP3    H219744   4.061   3.534  -3.923
+ 4479TIP3   OH219745   3.459   3.326  -2.696
+ 4479TIP3    H119746   3.420   3.243  -2.664
+ 4479TIP3    H219747   3.553   3.311  -2.674
+ 4480TIP3   OH219748   3.700   3.264  -2.526
+ 4480TIP3    H119749   3.782   3.228  -2.565
+ 4480TIP3    H219750   3.664   3.184  -2.484
+ 4481TIP3   OH219751  -3.161  -3.368  -1.741
+ 4481TIP3    H119752  -3.159  -3.272  -1.728
+ 4481TIP3    H219753  -3.237  -3.377  -1.801
+ 4482TIP3   OH219754  -3.277  -3.422  -1.435
+ 4482TIP3    H119755  -3.276  -3.477  -1.355
+ 4482TIP3    H219756  -3.300  -3.486  -1.503
+ 4483TIP3   OH219757  -2.913  -3.148  -1.603
+ 4483TIP3    H119758  -2.944  -3.217  -1.543
+ 4483TIP3    H219759  -2.869  -3.088  -1.540
+ 4484TIP3   OH219760  -3.959  -3.003  -1.422
+ 4484TIP3    H119761  -3.984  -3.095  -1.439
+ 4484TIP3    H219762  -3.865  -3.014  -1.400
+ 4485TIP3   OH219763  -4.199  -3.570  -1.855
+ 4485TIP3    H119764  -4.260  -3.495  -1.861
+ 4485TIP3    H219765  -4.259  -3.645  -1.845
+ 4486TIP3   OH219766  -3.203  -2.613  -1.545
+ 4486TIP3    H119767  -3.144  -2.682  -1.579
+ 4486TIP3    H219768  -3.227  -2.649  -1.459
+ 4487TIP3   OH219769  -3.427  -3.172  -1.378
+ 4487TIP3    H119770  -3.392  -3.244  -1.434
+ 4487TIP3    H219771  -3.345  -3.155  -1.326
+ 4488TIP3   OH219772  -2.570  -4.018  -1.320
+ 4488TIP3    H119773  -2.537  -3.971  -1.242
+ 4488TIP3    H219774  -2.506  -3.987  -1.387
+ 4489TIP3   OH219775  -3.099  -3.741  -1.326
+ 4489TIP3    H119776  -3.077  -3.835  -1.325
+ 4489TIP3    H219777  -3.105  -3.724  -1.421
+ 4490TIP3   OH219778  -3.804  -3.941  -1.614
+ 4490TIP3    H119779  -3.784  -3.857  -1.660
+ 4490TIP3    H219780  -3.833  -3.996  -1.689
+ 4491TIP3   OH219781  -3.011  -3.922  -1.784
+ 4491TIP3    H119782  -2.950  -3.964  -1.720
+ 4491TIP3    H219783  -2.947  -3.877  -1.842
+ 4492TIP3   OH219784  -4.136  -3.626  -1.544
+ 4492TIP3    H119785  -4.080  -3.697  -1.505
+ 4492TIP3    H219786  -4.132  -3.652  -1.638
+ 4493TIP3   OH219787  -3.603  -3.526  -1.611
+ 4493TIP3    H119788  -3.526  -3.576  -1.579
+ 4493TIP3    H219789  -3.646  -3.593  -1.669
+ 4494TIP3   OH219790  -2.478  -3.851  -1.058
+ 4494TIP3    H119791  -2.552  -3.796  -1.090
+ 4494TIP3    H219792  -2.513  -3.886  -0.976
+ 4495TIP3   OH219793  -3.916  -4.046  -1.202
+ 4495TIP3    H119794  -3.959  -4.005  -1.278
+ 4495TIP3    H219795  -3.985  -4.033  -1.134
+ 4496TIP3   OH219796  -3.172  -3.084  -1.864
+ 4496TIP3    H119797  -3.201  -3.102  -1.953
+ 4496TIP3    H219798  -3.214  -2.999  -1.845
+ 4497TIP3   OH219799  -3.627  -3.271  -1.192
+ 4497TIP3    H119800  -3.698  -3.209  -1.166
+ 4497TIP3    H219801  -3.562  -3.211  -1.234
+ 4498TIP3   OH219802  -2.824  -4.014  -1.581
+ 4498TIP3    H119803  -2.872  -4.059  -1.510
+ 4498TIP3    H219804  -2.771  -3.950  -1.530
+ 4499TIP3   OH219805  -3.967  -3.836  -1.419
+ 4499TIP3    H119806  -3.899  -3.789  -1.366
+ 4499TIP3    H219807  -3.910  -3.879  -1.486
+ 4500TIP3   OH219808  -3.826  -3.081  -1.122
+ 4500TIP3    H119809  -3.829  -2.987  -1.148
+ 4500TIP3    H219810  -3.914  -3.090  -1.079
+ 4501TIP3   OH219811  -4.185  -3.122  -2.024
+ 4501TIP3    H119812  -4.263  -3.102  -2.078
+ 4501TIP3    H219813  -4.189  -3.054  -1.954
+ 4502TIP3   OH219814  -2.864  -2.983  -1.340
+ 4502TIP3    H119815  -2.950  -2.940  -1.355
+ 4502TIP3    H219816  -2.803  -2.925  -1.389
+ 4503TIP3   OH219817  -2.808  -4.111  -1.181
+ 4503TIP3    H119818  -2.888  -4.077  -1.224
+ 4503TIP3    H219819  -2.741  -4.096  -1.250
+ 4504TIP3   OH219820  -3.496   4.382  -1.473
+ 4504TIP3    H119821  -3.501   4.285  -1.469
+ 4504TIP3    H219822  -3.586   4.411  -1.448
+ 4505TIP3   OH219823  -3.023  -2.772  -1.700
+ 4505TIP3    H119824  -2.974  -2.853  -1.725
+ 4505TIP3    H219825  -2.952  -2.705  -1.704
+ 4506TIP3   OH219826  -2.876  -2.986  -1.838
+ 4506TIP3    H119827  -2.930  -3.037  -1.900
+ 4506TIP3    H219828  -2.874  -3.047  -1.762
+ 4507TIP3   OH219829  -2.726  -3.105  -0.986
+ 4507TIP3    H119830  -2.727  -3.167  -1.061
+ 4507TIP3    H219831  -2.709  -3.020  -1.031
+ 4508TIP3   OH219832  -3.297  -3.416  -2.016
+ 4508TIP3    H119833  -3.361  -3.353  -2.054
+ 4508TIP3    H219834  -3.223  -3.409  -2.079
+ 4509TIP3   OH219835  -3.267  -3.595  -2.311
+ 4509TIP3    H119836  -3.199  -3.565  -2.249
+ 4509TIP3    H219837  -3.214  -3.653  -2.368
+ 4510TIP3   OH219838  -2.547  -3.491  -1.193
+ 4510TIP3    H119839  -2.614  -3.420  -1.186
+ 4510TIP3    H219840  -2.495  -3.456  -1.269
+ 4511TIP3   OH219841  -2.945  -3.417  -1.908
+ 4511TIP3    H119842  -3.011  -3.393  -1.839
+ 4511TIP3    H219843  -2.882  -3.469  -1.855
+ 4512TIP3   OH219844  -2.961  -3.562  -1.025
+ 4512TIP3    H119845  -2.954  -3.482  -0.970
+ 4512TIP3    H219846  -3.022  -3.528  -1.093
+ 4513TIP3   OH219847  -3.788  -3.334  -1.725
+ 4513TIP3    H119848  -3.819  -3.378  -1.807
+ 4513TIP3    H219849  -3.722  -3.398  -1.693
+ 4514TIP3   OH219850  -3.651  -3.001  -1.455
+ 4514TIP3    H119851  -3.655  -3.035  -1.546
+ 4514TIP3    H219852  -3.569  -3.044  -1.422
+ 4515TIP3   OH219853  -3.755  -3.448  -1.382
+ 4515TIP3    H119854  -3.690  -3.458  -1.454
+ 4515TIP3    H219855  -3.706  -3.394  -1.317
+ 4516TIP3   OH219856  -3.154  -2.897  -1.323
+ 4516TIP3    H119857  -3.132  -2.835  -1.251
+ 4516TIP3    H219858  -3.155  -2.984  -1.278
+ 4517TIP3   OH219859  -3.643  -3.026  -0.897
+ 4517TIP3    H119860  -3.693  -2.959  -0.848
+ 4517TIP3    H219861  -3.706  -3.050  -0.967
+ 4518TIP3   OH219862  -3.049  -3.471  -2.162
+ 4518TIP3    H119863  -3.002  -3.443  -2.080
+ 4518TIP3    H219864  -2.999  -3.419  -2.230
+ 4519TIP3   OH219865  -3.964  -3.383  -1.005
+ 4519TIP3    H119866  -3.953  -3.329  -0.924
+ 4519TIP3    H219867  -4.061  -3.395  -1.008
+ 4520TIP3   OH219868  -3.307  -2.811  -1.805
+ 4520TIP3    H119869  -3.252  -2.783  -1.730
+ 4520TIP3    H219870  -3.352  -2.729  -1.831
+ 4521TIP3   OH219871  -3.836  -2.808  -0.814
+ 4521TIP3    H119872  -3.843  -2.803  -0.911
+ 4521TIP3    H219873  -3.927  -2.826  -0.785
+ 4522TIP3   OH219874  -2.731  -4.320  -2.241
+ 4522TIP3    H119875  -2.770  -4.324  -2.152
+ 4522TIP3    H219876  -2.651  -4.270  -2.221
+ 4523TIP3   OH219877  -3.885  -3.463  -1.981
+ 4523TIP3    H119878  -3.914  -3.386  -2.032
+ 4523TIP3    H219879  -3.961  -3.522  -1.988
+ 4524TIP3   OH219880  -2.566  -2.880  -2.363
+ 4524TIP3    H119881  -2.550  -2.788  -2.335
+ 4524TIP3    H219882  -2.480  -2.922  -2.341
+ 4525TIP3   OH219883  -4.262  -3.210  -1.144
+ 4525TIP3    H119884  -4.343  -3.198  -1.193
+ 4525TIP3    H219885  -4.297  -3.254  -1.064
+ 4526TIP3   OH219886  -4.286  -2.920  -1.415
+ 4526TIP3    H119887  -4.191  -2.935  -1.407
+ 4526TIP3    H219888  -4.301  -2.850  -1.350
+ 4527TIP3   OH219889  -2.440  -2.838  -0.830
+ 4527TIP3    H119890  -2.448  -2.930  -0.859
+ 4527TIP3    H219891  -2.532  -2.817  -0.805
+ 4528TIP3   OH219892  -3.378  -2.920  -0.954
+ 4528TIP3    H119893  -3.369  -2.837  -0.902
+ 4528TIP3    H219894  -3.468  -2.949  -0.930
+ 4529TIP3   OH219895  -3.352  -2.537  -1.957
+ 4529TIP3    H119896  -3.347  -2.528  -2.054
+ 4529TIP3    H219897  -3.342  -2.445  -1.927
+ 4530TIP3   OH219898  -3.976  -2.625  -1.794
+ 4530TIP3    H119899  -3.953  -2.666  -1.709
+ 4530TIP3    H219900  -4.057  -2.675  -1.814
+ 4531TIP3   OH219901  -3.019  -2.591  -2.241
+ 4531TIP3    H119902  -2.962  -2.657  -2.286
+ 4531TIP3    H219903  -3.024  -2.629  -2.151
+ 4532TIP3   OH219904  -3.079  -2.654  -1.963
+ 4532TIP3    H119905  -3.173  -2.640  -1.943
+ 4532TIP3    H219906  -3.058  -2.722  -1.896
+ 4533TIP3   OH219907  -2.764  -3.710  -0.794
+ 4533TIP3    H119908  -2.812  -3.668  -0.867
+ 4533TIP3    H219909  -2.756  -3.802  -0.825
+ 4534TIP3   OH219910  -4.071  -3.042  -0.975
+ 4534TIP3    H119911  -4.037  -3.097  -0.903
+ 4534TIP3    H219912  -4.141  -3.097  -1.015
+ 4535TIP3   OH219913  -3.753  -4.222  -1.387
+ 4535TIP3    H119914  -3.839  -4.231  -1.431
+ 4535TIP3    H219915  -3.765  -4.136  -1.344
+ 4536TIP3   OH219916  -3.290  -4.262  -1.031
+ 4536TIP3    H119917  -3.270  -4.309  -0.950
+ 4536TIP3    H219918  -3.385  -4.278  -1.040
+ 4537TIP3   OH219919  -2.995  -3.864  -0.991
+ 4537TIP3    H119920  -3.051  -3.874  -0.912
+ 4537TIP3    H219921  -2.997  -3.768  -1.007
+ 4538TIP3   OH219922  -2.895  -3.363  -2.362
+ 4538TIP3    H119923  -2.913  -3.380  -2.457
+ 4538TIP3    H219924  -2.801  -3.337  -2.366
+ 4539TIP3   OH219925  -3.329  -3.993  -2.316
+ 4539TIP3    H119926  -3.383  -4.004  -2.235
+ 4539TIP3    H219927  -3.378  -4.054  -2.375
+ 4540TIP3   OH219928  -3.767  -3.718  -1.263
+ 4540TIP3    H119929  -3.819  -3.704  -1.182
+ 4540TIP3    H219930  -3.757  -3.627  -1.295
+ 4541TIP3   OH219931  -3.769  -3.710  -1.772
+ 4541TIP3    H119932  -3.864  -3.717  -1.791
+ 4541TIP3    H219933  -3.732  -3.726  -1.861
+ 4542TIP3   OH219934  -3.207  -3.652  -1.898
+ 4542TIP3    H119935  -3.247  -3.569  -1.930
+ 4542TIP3    H219936  -3.138  -3.667  -1.965
+ 4543TIP3   OH219937  -3.288  -3.632  -0.763
+ 4543TIP3    H119938  -3.338  -3.707  -0.725
+ 4543TIP3    H219939  -3.201  -3.642  -0.721
+ 4544TIP3   OH219940  -3.123  -3.712  -1.618
+ 4544TIP3    H119941  -3.150  -3.653  -1.691
+ 4544TIP3    H219942  -3.101  -3.792  -1.669
+ 4545TIP3   OH219943  -4.045  -3.685  -1.097
+ 4545TIP3    H119944  -3.991  -3.647  -1.027
+ 4545TIP3    H219945  -4.053  -3.778  -1.071
+ 4546TIP3   OH219946  -3.690  -3.940  -2.420
+ 4546TIP3    H119947  -3.723  -3.978  -2.337
+ 4546TIP3    H219948  -3.769  -3.928  -2.473
+ 4547TIP3   OH219949  -4.321  -3.928  -1.709
+ 4547TIP3    H119950  -4.300  -3.964  -1.620
+ 4547TIP3    H219951  -4.302  -4.002  -1.766
+ 4548TIP3   OH219952  -4.213  -3.877  -2.124
+ 4548TIP3    H119953  -4.155  -3.861  -2.201
+ 4548TIP3    H219954  -4.300  -3.864  -2.164
+ 4549TIP3   OH219955  -3.217  -3.545  -1.175
+ 4549TIP3    H119956  -3.169  -3.616  -1.223
+ 4549TIP3    H219957  -3.240  -3.590  -1.093
+ 4550TIP3   OH219958  -3.490  -3.941  -1.675
+ 4550TIP3    H119959  -3.583  -3.961  -1.653
+ 4550TIP3    H219960  -3.445  -3.971  -1.594
+ 4551TIP3   OH219961  -4.032  -3.826  -1.811
+ 4551TIP3    H119962  -4.117  -3.821  -1.856
+ 4551TIP3    H219963  -3.997  -3.911  -1.842
+ 4552TIP3   OH219964  -3.672  -3.791  -2.035
+ 4552TIP3    H119965  -3.575  -3.786  -2.029
+ 4552TIP3    H219966  -3.694  -3.730  -2.106
+ 4553TIP3   OH219967  -3.056  -4.033  -1.370
+ 4553TIP3    H119968  -3.120  -4.035  -1.296
+ 4553TIP3    H219969  -3.114  -4.063  -1.442
+ 4554TIP3   OH219970  -3.826  -3.668  -2.261
+ 4554TIP3    H119971  -3.882  -3.700  -2.334
+ 4554TIP3    H219972  -3.743  -3.647  -2.307
+ 4555TIP3   OH219973  -2.752  -2.455  -0.704
+ 4555TIP3    H119974  -2.727  -2.412  -0.787
+ 4555TIP3    H219975  -2.682  -2.425  -0.644
+ 4556TIP3   OH219976  -3.952  -3.200  -0.766
+ 4556TIP3    H119977  -3.889  -3.196  -0.691
+ 4556TIP3    H219978  -4.036  -3.188  -0.716
+ 4557TIP3   OH219979  -3.390  -3.694  -1.490
+ 4557TIP3    H119980  -3.316  -3.734  -1.537
+ 4557TIP3    H219981  -3.404  -3.756  -1.416
+ 4558TIP3   OH219982  -3.880  -4.061  -1.866
+ 4558TIP3    H119983  -3.921  -4.148  -1.853
+ 4558TIP3    H219984  -3.794  -4.084  -1.903
+ 4559TIP3   OH219985  -3.493  -3.851  -1.262
+ 4559TIP3    H119986  -3.567  -3.789  -1.263
+ 4559TIP3    H219987  -3.441  -3.823  -1.184
+ 4560TIP3   OH219988  -3.479  -3.208  -2.076
+ 4560TIP3    H119989  -3.555  -3.260  -2.110
+ 4560TIP3    H219990  -3.497  -3.204  -1.979
+ 4561TIP3   OH219991  -2.741  -3.282  -1.215
+ 4561TIP3    H119992  -2.697  -3.227  -1.281
+ 4561TIP3    H219993  -2.829  -3.292  -1.255
+ 4562TIP3   OH219994  -3.061  -3.931  -2.313
+ 4562TIP3    H119995  -3.159  -3.938  -2.310
+ 4562TIP3    H219996  -3.041  -3.863  -2.246
+ 4563TIP3   OH219997  -3.320  -3.212  -0.942
+ 4563TIP3    H119998  -3.341  -3.238  -0.852
+ 4563TIP3    H219999  -3.342  -3.117  -0.943
+ 4564TIP3   OH220000  -2.996  -3.749  -2.099
+ 4564TIP3    H120001  -2.910  -3.763  -2.054
+ 4564TIP3    H220002  -2.985  -3.659  -2.135
+ 4565TIP3   OH220003  -3.985  -3.314  -1.485
+ 4565TIP3    H120004  -3.945  -3.288  -1.570
+ 4565TIP3    H220005  -3.909  -3.363  -1.446
+ 4566TIP3   OH220006  -3.238  -3.073  -2.183
+ 4566TIP3    H120007  -3.263  -2.987  -2.144
+ 4566TIP3    H220008  -3.313  -3.128  -2.155
+ 4567TIP3   OH220009  -4.243  -3.431  -0.941
+ 4567TIP3    H120010  -4.227  -3.491  -0.866
+ 4567TIP3    H220011  -4.295  -3.486  -1.002
+ 4568TIP3   OH220012  -3.542  -3.496  -0.772
+ 4568TIP3    H120013  -3.567  -3.515  -0.864
+ 4568TIP3    H220014  -3.448  -3.521  -0.774
+ 4569TIP3   OH220015  -3.089  -2.955  -0.995
+ 4569TIP3    H120016  -3.185  -2.940  -1.002
+ 4569TIP3    H220017  -3.069  -2.923  -0.905
+ 4570TIP3   OH220018  -2.534  -3.746  -2.118
+ 4570TIP3    H120019  -2.591  -3.764  -2.196
+ 4570TIP3    H220020  -2.522  -3.650  -2.131
+ 4571TIP3   OH220021  -2.490  -3.144  -0.838
+ 4571TIP3    H120022  -2.583  -3.118  -0.857
+ 4571TIP3    H220023  -2.457  -3.158  -0.929
+ 4572TIP3   OH220024  -2.724  -2.888  -2.117
+ 4572TIP3    H120025  -2.737  -2.958  -2.052
+ 4572TIP3    H220026  -2.656  -2.924  -2.175
+ 4573TIP3   OH220027  -2.987  -3.352  -1.367
+ 4573TIP3    H120028  -3.080  -3.365  -1.393
+ 4573TIP3    H220029  -2.943  -3.422  -1.418
+ 4574TIP3   OH220030  -3.729  -2.941  -1.764
+ 4574TIP3    H120031  -3.684  -2.857  -1.778
+ 4574TIP3    H220032  -3.819  -2.920  -1.793
+ 4575TIP3   OH220033  -4.155  -3.447  -2.289
+ 4575TIP3    H120034  -4.081  -3.392  -2.256
+ 4575TIP3    H220035  -4.227  -3.384  -2.282
+ 4576TIP3   OH220036  -3.545  -3.174  -1.806
+ 4576TIP3    H120037  -3.569  -3.082  -1.790
+ 4576TIP3    H220038  -3.616  -3.222  -1.761
+ 4577TIP3   OH220039  -3.527  -2.746  -1.169
+ 4577TIP3    H120040  -3.470  -2.673  -1.198
+ 4577TIP3    H220041  -3.464  -2.798  -1.116
+ 4578TIP3   OH220042  -3.682  -2.652  -1.845
+ 4578TIP3    H120043  -3.777  -2.636  -1.838
+ 4578TIP3    H220044  -3.646  -2.564  -1.821
+ 4579TIP3   OH220045  -3.187  -3.174  -1.215
+ 4579TIP3    H120046  -3.211  -3.199  -1.124
+ 4579TIP3    H220047  -3.109  -3.230  -1.232
+ 4580TIP3   OH220048  -2.971  -3.043  -2.322
+ 4580TIP3    H120049  -2.925  -3.084  -2.246
+ 4580TIP3    H220050  -3.063  -3.057  -2.293
+ 4581TIP3   OH220051  -2.898  -2.712  -0.968
+ 4581TIP3    H120052  -2.970  -2.757  -1.017
+ 4581TIP3    H220053  -2.878  -2.637  -1.027
+ 4582TIP3   OH220054  -2.496  -2.615  -2.268
+ 4582TIP3    H120055  -2.426  -2.550  -2.286
+ 4582TIP3    H220056  -2.572  -2.554  -2.263
+ 4583TIP3   OH220057  -4.103  -3.956  -1.012
+ 4583TIP3    H120058  -4.191  -3.916  -1.006
+ 4583TIP3    H220059  -4.117  -4.042  -0.965
+ 4584TIP3   OH220060  -2.874  -3.182  -2.083
+ 4584TIP3    H120061  -2.898  -3.254  -2.021
+ 4584TIP3    H220062  -2.777  -3.181  -2.073
+ 4585TIP3   OH220063  -4.129  -2.801  -1.160
+ 4585TIP3    H120064  -4.103  -2.893  -1.147
+ 4585TIP3    H220065  -4.097  -2.762  -1.077
+ 4586TIP3   OH220066  -3.546  -2.937  -2.464
+ 4586TIP3    H120067  -3.514  -3.016  -2.512
+ 4586TIP3    H220068  -3.586  -2.977  -2.385
+ 4587TIP3   OH220069  -3.663  -2.986  -2.190
+ 4587TIP3    H120070  -3.609  -3.038  -2.129
+ 4587TIP3    H220071  -3.647  -2.894  -2.159
+ 4588TIP3   OH220072  -3.989  -3.243  -2.159
+ 4588TIP3    H120073  -4.057  -3.202  -2.101
+ 4588TIP3    H220074  -3.937  -3.164  -2.181
+ 4589TIP3   OH220075  -3.217  -4.007  -1.140
+ 4589TIP3    H120076  -3.152  -3.980  -1.074
+ 4589TIP3    H220077  -3.250  -4.092  -1.106
+ 4590TIP3   OH220078  -3.136  -4.056  -2.026
+ 4590TIP3    H120079  -3.128  -3.996  -2.102
+ 4590TIP3    H220080  -3.099  -4.002  -1.954
+ 4591TIP3   OH220081  -3.368  -2.825  -2.130
+ 4591TIP3    H120082  -3.447  -2.772  -2.110
+ 4591TIP3    H220083  -3.327  -2.773  -2.200
+ 4592TIP3   OH220084  -3.403  -3.852  -1.927
+ 4592TIP3    H120085  -3.329  -3.789  -1.914
+ 4592TIP3    H220086  -3.432  -3.867  -1.835
+ 4593TIP3   OH220087  -3.372  -3.762  -1.013
+ 4593TIP3    H120088  -3.360  -3.710  -0.931
+ 4593TIP3    H220089  -3.313  -3.837  -0.998
+ 4594TIP3   OH220090  -3.332  -4.174  -1.828
+ 4594TIP3    H120091  -3.364  -4.099  -1.774
+ 4594TIP3    H220092  -3.275  -4.128  -1.893
+ 4595TIP3   OH220093  -3.647  -2.714  -2.129
+ 4595TIP3    H120094  -3.651  -2.633  -2.184
+ 4595TIP3    H220095  -3.658  -2.680  -2.039
+ 4596TIP3   OH220096  -3.776  -4.050  -2.175
+ 4596TIP3    H120097  -3.771  -3.967  -2.124
+ 4596TIP3    H220098  -3.688  -4.088  -2.153
+ 4597TIP3   OH220099  -2.732  -3.963  -0.932
+ 4597TIP3    H120100  -2.828  -3.953  -0.943
+ 4597TIP3    H220101  -2.709  -3.987  -1.023
+ 4598TIP3   OH220102  -2.890  -3.574  -1.522
+ 4598TIP3    H120103  -2.971  -3.621  -1.550
+ 4598TIP3    H220104  -2.840  -3.645  -1.476
+ 4599TIP3   OH220105  -3.932  -2.959  -2.275
+ 4599TIP3    H120106  -3.857  -2.914  -2.234
+ 4599TIP3    H220107  -3.885  -3.014  -2.339
+ 4600TIP3   OH220108  -4.119  -3.749  -2.356
+ 4600TIP3    H120109  -4.105  -3.654  -2.342
+ 4600TIP3    H220110  -4.192  -3.753  -2.419
+ 4601TIP3   OH220111  -2.799  -2.680  -1.373
+ 4601TIP3    H120112  -2.798  -2.600  -1.429
+ 4601TIP3    H220113  -2.705  -2.701  -1.367
+ 4602TIP3   OH220114  -4.078  -4.237  -1.465
+ 4602TIP3    H120115  -4.058  -4.259  -1.557
+ 4602TIP3    H220116  -4.112  -4.322  -1.433
+ 4603TIP3   OH220117  -4.138  -2.883  -1.859
+ 4603TIP3    H120118  -4.228  -2.846  -1.854
+ 4603TIP3    H220119  -4.103  -2.841  -1.939
+ 4604TIP3   OH220120  -4.214  -2.604  -0.738
+ 4604TIP3    H120121  -4.150  -2.604  -0.664
+ 4604TIP3    H220122  -4.215  -2.701  -0.752
+ 4605TIP3   OH220123  -3.726  -2.691  -0.565
+ 4605TIP3    H120124  -3.657  -2.755  -0.543
+ 4605TIP3    H220125  -3.750  -2.718  -0.655
+ 4606TIP3   OH220126  -3.322  -2.765  -2.415
+ 4606TIP3    H120127  -3.398  -2.827  -2.423
+ 4606TIP3    H220128  -3.251  -2.821  -2.451
+ 4607TIP3   OH220129  -3.084  -2.863  -0.704
+ 4607TIP3    H120130  -3.117  -2.947  -0.668
+ 4607TIP3    H220131  -3.011  -2.842  -0.643
+ 4608TIP3   OH220132  -2.861  -2.777  -2.405
+ 4608TIP3    H120133  -2.843  -2.854  -2.347
+ 4608TIP3    H220134  -2.778  -2.773  -2.457
+ 4609TIP3   OH220135  -4.199  -3.200  -0.676
+ 4609TIP3    H120136  -4.189  -3.289  -0.711
+ 4609TIP3    H220137  -4.287  -3.174  -0.706
+ 4610TIP3   OH220138  -3.781  -3.195  -2.429
+ 4610TIP3    H120139  -3.761  -3.252  -2.353
+ 4610TIP3    H220140  -3.695  -3.195  -2.475
+ 4611TIP3   OH220141  -3.541  -3.217  -0.696
+ 4611TIP3    H120142  -3.568  -3.182  -0.783
+ 4611TIP3    H220143  -3.532  -3.313  -0.712
+ 4612TIP3   OH220144  -3.259  -3.061  -2.468
+ 4612TIP3    H120145  -3.259  -3.064  -2.371
+ 4612TIP3    H220146  -3.261  -3.157  -2.489
+ 4613TIP3   OH220147  -3.000  -3.253  -0.959
+ 4613TIP3    H120148  -2.920  -3.201  -0.978
+ 4613TIP3    H220149  -3.067  -3.182  -0.962
+ 4614TIP3   OH220150  -4.136  -3.528  -0.701
+ 4614TIP3    H120151  -4.057  -3.584  -0.714
+ 4614TIP3    H220152  -4.123  -3.499  -0.610
+ 4615TIP3   OH220153  -3.675  -3.383  -2.197
+ 4615TIP3    H120154  -3.733  -3.435  -2.139
+ 4615TIP3    H220155  -3.642  -3.452  -2.259
+ 4616TIP3   OH220156  -3.761  -3.610  -0.982
+ 4616TIP3    H120157  -3.803  -3.530  -0.947
+ 4616TIP3    H220158  -3.688  -3.572  -1.033
+ 4617TIP3   OH220159  -3.576  -3.583  -2.370
+ 4617TIP3    H120160  -3.578  -3.574  -2.467
+ 4617TIP3    H220161  -3.480  -3.588  -2.353
+ 4618TIP3   OH220162  -3.220  -3.338  -0.616
+ 4618TIP3    H120163  -3.129  -3.355  -0.646
+ 4618TIP3    H220164  -3.242  -3.422  -0.573
+ 4619TIP3   OH220165  -2.625  -3.332  -2.438
+ 4619TIP3    H120166  -2.636  -3.373  -2.525
+ 4619TIP3    H220167  -2.635  -3.237  -2.461
+ 4620TIP3   OH220168  -3.694  -3.882  -0.859
+ 4620TIP3    H120169  -3.681  -3.946  -0.932
+ 4620TIP3    H220170  -3.712  -3.800  -0.909
+ 4621TIP3   OH220171  -3.652  -4.038  -1.117
+ 4621TIP3    H120172  -3.599  -3.982  -1.178
+ 4621TIP3    H220173  -3.743  -4.026  -1.152
+ 4622TIP3   OH220174  -3.507  -3.490  -1.071
+ 4622TIP3    H120175  -3.421  -3.499  -1.114
+ 4622TIP3    H220176  -3.533  -3.401  -1.101
+ 4623TIP3   OH220177  -3.046  -3.693  -0.593
+ 4623TIP3    H120178  -3.023  -3.786  -0.578
+ 4623TIP3    H220179  -2.958  -3.652  -0.598
+ 4624TIP3   OH220180  -2.948  -3.415  -0.745
+ 4624TIP3    H120181  -2.981  -3.353  -0.813
+ 4624TIP3    H220182  -2.857  -3.428  -0.779
+ 4625TIP3   OH220183  -3.879  -3.690  -0.681
+ 4625TIP3    H120184  -3.930  -3.773  -0.679
+ 4625TIP3    H220185  -3.795  -3.720  -0.720
+ 4626TIP3   OH220186  -3.607  -4.277  -0.994
+ 4626TIP3    H120187  -3.591  -4.188  -1.030
+ 4626TIP3    H220188  -3.699  -4.287  -1.019
+ 4627TIP3   OH220189  -3.457  -3.844  -0.699
+ 4627TIP3    H120190  -3.487  -3.871  -0.611
+ 4627TIP3    H220191  -3.538  -3.864  -0.751
+ 4628TIP3   OH220192  -3.198  -3.945  -0.801
+ 4628TIP3    H120193  -3.287  -3.931  -0.764
+ 4628TIP3    H220194  -3.160  -4.010  -0.739
+ 4629TIP3   OH220195  -3.027  -4.137  -0.633
+ 4629TIP3    H120196  -3.040  -4.224  -0.594
+ 4629TIP3    H220197  -3.039  -4.077  -0.558
+ 4630TIP3   OH220198  -4.011  -3.951  -0.693
+ 4630TIP3    H120199  -4.024  -4.022  -0.758
+ 4630TIP3    H220200  -4.037  -3.994  -0.610
+ 4631TIP3   OH220201  -3.495  -4.146  -0.589
+ 4631TIP3    H120202  -3.516  -4.229  -0.636
+ 4631TIP3    H220203  -3.580  -4.100  -0.585
+ 4632TIP3   OH220204  -3.599  -2.461  -2.261
+ 4632TIP3    H120205  -3.504  -2.448  -2.247
+ 4632TIP3    H220206  -3.611  -2.414  -2.344
+ 4633TIP3   OH220207  -4.199  -2.970  -2.352
+ 4633TIP3    H120208  -4.121  -2.975  -2.294
+ 4633TIP3    H220209  -4.216  -3.063  -2.373
+ 4634TIP3   OH220210  -4.272  -2.690  -1.640
+ 4634TIP3    H120211  -4.276  -2.780  -1.603
+ 4634TIP3    H220212  -4.243  -2.639  -1.564
+ 4635TIP3   OH220213  -2.513  -2.540  -1.334
+ 4635TIP3    H120214  -2.501  -2.586  -1.249
+ 4635TIP3    H220215  -2.423  -2.545  -1.369
+ 4636TIP3   OH220216  -2.528  -2.627  -1.041
+ 4636TIP3    H120217  -2.576  -2.701  -1.084
+ 4636TIP3    H220218  -2.467  -2.678  -0.985
+ 4637TIP3   OH220219  -2.726  -3.084  -0.616
+ 4637TIP3    H120220  -2.814  -3.075  -0.576
+ 4637TIP3    H220221  -2.680  -3.003  -0.587
+ 4638TIP3   OH220222  -2.585  -3.195  -2.044
+ 4638TIP3    H120223  -2.495  -3.162  -2.026
+ 4638TIP3    H220224  -2.594  -3.258  -1.970
+ 4639TIP3   OH220225  -2.541  -3.400  -1.850
+ 4639TIP3    H120226  -2.606  -3.454  -1.802
+ 4639TIP3    H220227  -2.472  -3.384  -1.782
+ 4640TIP3   OH220228  -2.695  -2.853  -1.115
+ 4640TIP3    H120229  -2.778  -2.821  -1.075
+ 4640TIP3    H220230  -2.725  -2.889  -1.201
+ 4641TIP3   OH220231  -2.513  -3.455  -2.189
+ 4641TIP3    H120232  -2.565  -3.423  -2.266
+ 4641TIP3    H220233  -2.527  -3.382  -2.126
+ 4642TIP3   OH220234  -2.690  -3.698  -2.363
+ 4642TIP3    H120235  -2.660  -3.638  -2.432
+ 4642TIP3    H220236  -2.712  -3.779  -2.412
+ 4643TIP3   OH220237  -2.750  -3.584  -1.765
+ 4643TIP3    H120238  -2.755  -3.679  -1.781
+ 4643TIP3    H220239  -2.784  -3.575  -1.674
+ 4644TIP3   OH220240  -2.687  -3.393  -0.849
+ 4644TIP3    H120241  -2.612  -3.453  -0.834
+ 4644TIP3    H220242  -2.643  -3.310  -0.872
+ 4645TIP3   OH220243  -2.532  -3.584  -0.725
+ 4645TIP3    H120244  -2.610  -3.637  -0.751
+ 4645TIP3    H220245  -2.461  -3.650  -0.729
+ 4646TIP3   OH220246  -2.745  -3.969  -2.446
+ 4646TIP3    H120247  -2.685  -4.012  -2.383
+ 4646TIP3    H220248  -2.827  -4.019  -2.434
+ 4647TIP3   OH220249  -2.765  -3.828  -1.946
+ 4647TIP3    H120250  -2.746  -3.924  -1.940
+ 4647TIP3    H220251  -2.682  -3.797  -1.986
+ 4648TIP3   OH220252  -2.737  -3.774  -1.406
+ 4648TIP3    H120253  -2.640  -3.766  -1.409
+ 4648TIP3    H220254  -2.751  -3.774  -1.310
+ 4649TIP3   OH220255  -2.723  -3.705  -1.120
+ 4649TIP3    H120256  -2.806  -3.662  -1.095
+ 4649TIP3    H220257  -2.667  -3.629  -1.144
+ 4650TIP3   OH220258  -4.285  -3.840  -0.760
+ 4650TIP3    H120259  -4.196  -3.880  -0.758
+ 4650TIP3    H220260  -4.344  -3.914  -0.739
+ 4651TIP3   OH220261  -2.507  -4.277  -0.543
+ 4651TIP3    H120262  -2.455  -4.355  -0.566
+ 4651TIP3    H220263  -2.505  -4.218  -0.621
+ 4652TIP3   OH220264  -2.733  -4.099  -1.937
+ 4652TIP3    H120265  -2.708  -4.149  -1.857
+ 4652TIP3    H220266  -2.795  -4.161  -1.980
+ 4653TIP3   OH220267  -4.195  -3.991  -1.457
+ 4653TIP3    H120268  -4.160  -4.082  -1.444
+ 4653TIP3    H220269  -4.118  -3.937  -1.432
+ 4654TIP3   OH220270  -4.312  -3.741  -1.352
+ 4654TIP3    H120271  -4.292  -3.797  -1.428
+ 4654TIP3    H220272  -4.316  -3.654  -1.392
+ 4655TIP3   OH220273  -2.528  -4.112  -0.758
+ 4655TIP3    H120274  -2.612  -4.064  -0.751
+ 4655TIP3    H220275  -2.536  -4.146  -0.849
+ 4656TIP3   OH220276  -2.521  -4.056  -2.280
+ 4656TIP3    H120277  -2.502  -4.143  -2.321
+ 4656TIP3    H220278  -2.434  -4.015  -2.273
+ 4657TIP3   OH220279  -4.316  -4.107  -2.005
+ 4657TIP3    H120280  -4.399  -4.070  -2.037
+ 4657TIP3    H220281  -4.253  -4.038  -2.035
+ 4658TIP3   OH220282  -2.828  -2.564  -1.751
+ 4658TIP3    H120283  -2.784  -2.592  -1.833
+ 4658TIP3    H220284  -2.753  -2.538  -1.697
+ 4659TIP3   OH220285  -4.290  -4.163  -1.170
+ 4659TIP3    H120286  -4.346  -4.221  -1.114
+ 4659TIP3    H220287  -4.331  -4.171  -1.257
+ 4660TIP3   OH220288  -4.118  -2.862  -0.703
+ 4660TIP3    H120289  -4.169  -2.926  -0.754
+ 4660TIP3    H220290  -4.132  -2.896  -0.612
+ 4661TIP3   OH220291  -3.802  -2.797  -1.113
+ 4661TIP3    H120292  -3.832  -2.712  -1.151
+ 4661TIP3    H220293  -3.706  -2.789  -1.130
+ 4662TIP3   OH220294  -3.353  -2.667  -0.812
+ 4662TIP3    H120295  -3.335  -2.685  -0.719
+ 4662TIP3    H220296  -3.270  -2.623  -0.839
+ 4663TIP3   OH220297  -3.125  -2.522  -0.889
+ 4663TIP3    H120298  -3.054  -2.583  -0.915
+ 4663TIP3    H220299  -3.092  -2.491  -0.802
+ 4664TIP3   OH220300  -2.666  -4.277  -0.968
+ 4664TIP3    H120301  -2.716  -4.215  -1.024
+ 4664TIP3    H220302  -2.641  -4.343  -1.035
+ 4665TIP3   OH220303  -4.071  -2.493  -1.089
+ 4665TIP3    H120304  -4.139  -2.441  -1.137
+ 4665TIP3    H220305  -4.101  -2.484  -0.998
+ 4666TIP3   OH220306  -3.819  -2.525  -1.225
+ 4666TIP3    H120307  -3.905  -2.505  -1.183
+ 4666TIP3    H220308  -3.814  -2.458  -1.295
+ 4667TIP3   OH220309  -3.343  -2.526  -1.269
+ 4667TIP3    H120310  -3.378  -2.480  -1.347
+ 4667TIP3    H220311  -3.331  -2.451  -1.207
+ 4668TIP3   OH220312  -3.108  -2.655  -1.175
+ 4668TIP3    H120313  -3.191  -2.618  -1.211
+ 4668TIP3    H220314  -3.048  -2.579  -1.181
+ 4669TIP3   OH220315  -2.858  -2.482  -1.158
+ 4669TIP3    H120316  -2.858  -2.388  -1.184
+ 4669TIP3    H220317  -2.826  -2.524  -1.239
+ 4670TIP3   OH220318  -4.128  -2.621  -1.392
+ 4670TIP3    H120319  -4.133  -2.662  -1.304
+ 4670TIP3    H220320  -4.048  -2.663  -1.428
+ 4671TIP3   OH220321  -3.910  -2.743  -1.538
+ 4671TIP3    H120322  -3.923  -2.837  -1.513
+ 4671TIP3    H220323  -3.819  -2.727  -1.508
+ 4672TIP3   OH220324  -3.633  -2.701  -1.453
+ 4672TIP3    H120325  -3.611  -2.793  -1.477
+ 4672TIP3    H220326  -3.622  -2.705  -1.357
+ 4673TIP3   OH220327  -3.301  -4.112  -1.526
+ 4673TIP3    H120328  -3.363  -4.182  -1.497
+ 4673TIP3    H220329  -3.239  -4.161  -1.582
+ 4674TIP3   OH220330  -2.772  -4.332  -1.480
+ 4674TIP3    H120331  -2.712  -4.289  -1.544
+ 4674TIP3    H220332  -2.859  -4.303  -1.512
+ 4675TIP3   OH220333  -2.579  -4.224  -1.699
+ 4675TIP3    H120334  -2.519  -4.245  -1.771
+ 4675TIP3    H220335  -2.557  -4.130  -1.683
+ 4676TIP3   OH220336  -4.073  -4.282  -1.793
+ 4676TIP3    H120337  -4.160  -4.317  -1.816
+ 4676TIP3    H220338  -4.026  -4.359  -1.760
+ 4677TIP3   OH220339  -4.208  -4.301  -2.186
+ 4677TIP3    H120340  -4.169  -4.235  -2.246
+ 4677TIP3    H220341  -4.259  -4.244  -2.126
+ 4678TIP3   OH220342  -3.615  -4.219  -1.761
+ 4678TIP3    H120343  -3.523  -4.233  -1.788
+ 4678TIP3    H220344  -3.634  -4.298  -1.708
+ 4679TIP3   OH220345  -3.062  -4.264  -1.631
+ 4679TIP3    H120346  -3.025  -4.261  -1.720
+ 4679TIP3    H220347  -3.072  -4.359  -1.613
+ 4680TIP3   OH220348  -2.950  -4.272  -2.031
+ 4680TIP3    H120349  -3.025  -4.213  -2.054
+ 4680TIP3    H220350  -2.989  -4.360  -2.037
+ 4681TIP3   OH220351  -4.189  -2.692  -2.083
+ 4681TIP3    H120352  -4.249  -2.710  -2.156
+ 4681TIP3    H220353  -4.182  -2.596  -2.086
+ 4682TIP3   OH220354  -4.009  -4.113  -2.326
+ 4682TIP3    H120355  -3.944  -4.157  -2.383
+ 4682TIP3    H220356  -3.950  -4.070  -2.261
+ 4683TIP3   OH220357  -3.493  -4.059  -2.095
+ 4683TIP3    H120358  -3.482  -4.143  -2.046
+ 4683TIP3    H220359  -3.470  -3.991  -2.029
+ 4684TIP3   OH220360  -3.297  -2.515  -2.250
+ 4684TIP3    H120361  -3.200  -2.511  -2.256
+ 4684TIP3    H220362  -3.315  -2.581  -2.319
+ 4685TIP3   OH220363  -2.647  -2.610  -1.994
+ 4685TIP3    H120364  -2.669  -2.693  -2.039
+ 4685TIP3    H220365  -2.650  -2.546  -2.067
+ 4686TIP3   OH220366  -4.106  -4.171  -0.847
+ 4686TIP3    H120367  -4.160  -4.238  -0.800
+ 4686TIP3    H220368  -4.026  -4.224  -0.861
+ 4687TIP3   OH220369  -3.808  -4.278  -0.587
+ 4687TIP3    H120370  -3.722  -4.304  -0.627
+ 4687TIP3    H220371  -3.828  -4.355  -0.533
+ 4688TIP3   OH220372  -4.013  -2.593  -2.386
+ 4688TIP3    H120373  -4.040  -2.574  -2.295
+ 4688TIP3    H220374  -3.940  -2.657  -2.373
+ 4689TIP3   OH220375  -2.697  -2.734  -0.753
+ 4689TIP3    H120376  -2.768  -2.753  -0.817
+ 4689TIP3    H220377  -2.712  -2.640  -0.737
+ 4690TIP3   OH220378  -1.272  -3.367  -1.745
+ 4690TIP3    H120379  -1.276  -3.272  -1.727
+ 4690TIP3    H220380  -1.353  -3.380  -1.797
+ 4691TIP3   OH220381  -1.388  -3.423  -1.436
+ 4691TIP3    H120382  -1.390  -3.475  -1.354
+ 4691TIP3    H220383  -1.419  -3.488  -1.501
+ 4692TIP3   OH220384  -2.143  -3.464  -1.270
+ 4692TIP3    H120385  -2.146  -3.537  -1.206
+ 4692TIP3    H220386  -2.074  -3.408  -1.232
+ 4693TIP3   OH220387  -1.019  -3.146  -1.602
+ 4693TIP3    H120388  -1.057  -3.217  -1.549
+ 4693TIP3    H220389  -0.993  -3.084  -1.531
+ 4694TIP3   OH220390  -2.060  -2.991  -1.420
+ 4694TIP3    H120391  -2.106  -3.075  -1.440
+ 4694TIP3    H220392  -1.972  -3.023  -1.398
+ 4695TIP3   OH220393  -2.376  -3.665  -1.881
+ 4695TIP3    H120394  -2.409  -3.575  -1.864
+ 4695TIP3    H220395  -2.453  -3.707  -1.921
+ 4696TIP3   OH220396  -2.300  -3.418  -1.701
+ 4696TIP3    H120397  -2.285  -3.489  -1.636
+ 4696TIP3    H220398  -2.211  -3.402  -1.735
+ 4697TIP3   OH220399  -1.308  -2.606  -1.544
+ 4697TIP3    H120400  -1.257  -2.684  -1.573
+ 4697TIP3    H220401  -1.346  -2.638  -1.461
+ 4698TIP3   OH220402  -1.539  -3.172  -1.380
+ 4698TIP3    H120403  -1.506  -3.245  -1.434
+ 4698TIP3    H220404  -1.460  -3.156  -1.325
+ 4699TIP3   OH220405  -0.685  -4.017  -1.322
+ 4699TIP3    H120406  -0.653  -3.974  -1.241
+ 4699TIP3    H220407  -0.619  -3.985  -1.386
+ 4700TIP3   OH220408  -1.211  -3.740  -1.326
+ 4700TIP3    H120409  -1.192  -3.836  -1.325
+ 4700TIP3    H220410  -1.221  -3.724  -1.421
+ 4701TIP3   OH220411  -1.916  -3.941  -1.617
+ 4701TIP3    H120412  -1.899  -3.856  -1.661
+ 4701TIP3    H220413  -1.949  -3.994  -1.692
+ 4702TIP3   OH220414  -1.126  -3.922  -1.784
+ 4702TIP3    H120415  -1.066  -3.965  -1.720
+ 4702TIP3    H220416  -1.062  -3.877  -1.841
+ 4703TIP3   OH220417  -2.245  -3.666  -1.567
+ 4703TIP3    H120418  -2.183  -3.713  -1.510
+ 4703TIP3    H220419  -2.234  -3.713  -1.652
+ 4704TIP3   OH220420  -1.706  -3.525  -1.625
+ 4704TIP3    H120421  -1.636  -3.580  -1.583
+ 4704TIP3    H220422  -1.757  -3.592  -1.672
+ 4705TIP3   OH220423  -0.592  -3.849  -1.059
+ 4705TIP3    H120424  -0.668  -3.796  -1.089
+ 4705TIP3    H220425  -0.627  -3.886  -0.976
+ 4706TIP3   OH220426  -2.036  -4.057  -1.202
+ 4706TIP3    H120427  -2.068  -4.000  -1.273
+ 4706TIP3    H220428  -2.102  -4.036  -1.133
+ 4707TIP3   OH220429  -1.277  -3.075  -1.868
+ 4707TIP3    H120430  -1.323  -3.108  -1.946
+ 4707TIP3    H220431  -1.328  -2.996  -1.845
+ 4708TIP3   OH220432  -1.743  -3.270  -1.193
+ 4708TIP3    H120433  -1.815  -3.210  -1.164
+ 4708TIP3    H220434  -1.679  -3.207  -1.232
+ 4709TIP3   OH220435  -0.936  -4.014  -1.581
+ 4709TIP3    H120436  -0.987  -4.060  -1.513
+ 4709TIP3    H220437  -0.886  -3.950  -1.528
+ 4710TIP3   OH220438  -2.073  -3.858  -1.406
+ 4710TIP3    H120439  -2.012  -3.795  -1.362
+ 4710TIP3    H220440  -2.016  -3.890  -1.479
+ 4711TIP3   OH220441  -1.943  -3.082  -1.117
+ 4711TIP3    H120442  -1.944  -2.989  -1.149
+ 4711TIP3    H220443  -2.030  -3.085  -1.074
+ 4712TIP3   OH220444  -2.308  -3.113  -2.032
+ 4712TIP3    H120445  -2.331  -3.059  -2.109
+ 4712TIP3    H220446  -2.291  -3.046  -1.962
+ 4713TIP3   OH220447  -0.967  -2.964  -1.366
+ 4713TIP3    H120448  -1.062  -2.949  -1.352
+ 4713TIP3    H220449  -0.938  -2.874  -1.388
+ 4714TIP3   OH220450  -0.922  -4.112  -1.181
+ 4714TIP3    H120451  -1.003  -4.078  -1.223
+ 4714TIP3    H220452  -0.856  -4.096  -1.251
+ 4715TIP3   OH220453  -1.612   4.381  -1.477
+ 4715TIP3    H120454  -1.616   4.285  -1.469
+ 4715TIP3    H220455  -1.700   4.412  -1.447
+ 4716TIP3   OH220456  -1.137  -2.782  -1.685
+ 4716TIP3    H120457  -1.090  -2.859  -1.723
+ 4716TIP3    H220458  -1.084  -2.708  -1.716
+ 4717TIP3   OH220459  -0.987  -2.989  -1.838
+ 4717TIP3    H120460  -1.048  -3.035  -1.898
+ 4717TIP3    H220461  -0.992  -3.048  -1.760
+ 4718TIP3   OH220462  -0.847  -3.105  -0.986
+ 4718TIP3    H120463  -0.845  -3.166  -1.061
+ 4718TIP3    H220464  -0.822  -3.020  -1.025
+ 4719TIP3   OH220465  -1.410  -3.415  -2.015
+ 4719TIP3    H120466  -1.477  -3.355  -2.051
+ 4719TIP3    H220467  -1.340  -3.410  -2.082
+ 4720TIP3   OH220468  -1.381  -3.594  -2.312
+ 4720TIP3    H120469  -1.312  -3.565  -2.249
+ 4720TIP3    H220470  -1.330  -3.654  -2.368
+ 4721TIP3   OH220471  -0.661  -3.490  -1.193
+ 4721TIP3    H120472  -0.733  -3.425  -1.182
+ 4721TIP3    H220473  -0.613  -3.452  -1.269
+ 4722TIP3   OH220474  -1.057  -3.414  -1.908
+ 4722TIP3    H120475  -1.127  -3.392  -1.842
+ 4722TIP3    H220476  -0.999  -3.471  -1.855
+ 4723TIP3   OH220477  -1.075  -3.563  -1.025
+ 4723TIP3    H120478  -1.068  -3.484  -0.969
+ 4723TIP3    H220479  -1.138  -3.529  -1.090
+ 4724TIP3   OH220480  -1.897  -3.337  -1.732
+ 4724TIP3    H120481  -1.929  -3.382  -1.812
+ 4724TIP3    H220482  -1.833  -3.402  -1.697
+ 4725TIP3   OH220483  -1.757  -2.994  -1.459
+ 4725TIP3    H120484  -1.773  -3.039  -1.542
+ 4725TIP3    H220485  -1.680  -3.042  -1.423
+ 4726TIP3   OH220486  -1.838  -3.461  -1.380
+ 4726TIP3    H120487  -1.783  -3.452  -1.459
+ 4726TIP3    H220488  -1.804  -3.390  -1.322
+ 4727TIP3   OH220489  -1.245  -2.897  -1.318
+ 4727TIP3    H120490  -1.237  -2.836  -1.243
+ 4727TIP3    H220491  -1.269  -2.981  -1.276
+ 4728TIP3   OH220492  -1.752  -3.023  -0.897
+ 4728TIP3    H120493  -1.798  -2.957  -0.843
+ 4728TIP3    H220494  -1.819  -3.043  -0.966
+ 4729TIP3   OH220495  -1.161  -3.472  -2.162
+ 4729TIP3    H120496  -1.116  -3.443  -2.080
+ 4729TIP3    H220497  -1.112  -3.419  -2.229
+ 4730TIP3   OH220498  -2.062  -3.387  -0.985
+ 4730TIP3    H120499  -2.056  -3.327  -0.908
+ 4730TIP3    H220500  -2.159  -3.396  -0.994
+ 4731TIP3   OH220501  -1.409  -2.808  -1.811
+ 4731TIP3    H120502  -1.369  -2.781  -1.728
+ 4731TIP3    H220503  -1.465  -2.732  -1.834
+ 4732TIP3   OH220504  -1.939  -2.792  -0.806
+ 4732TIP3    H120505  -1.951  -2.796  -0.902
+ 4732TIP3    H220506  -2.023  -2.826  -0.770
+ 4733TIP3   OH220507  -0.843  -4.322  -2.241
+ 4733TIP3    H120508  -0.889  -4.324  -2.155
+ 4733TIP3    H220509  -0.765  -4.269  -2.217
+ 4734TIP3   OH220510  -2.005  -3.464  -1.978
+ 4734TIP3    H120511  -2.027  -3.387  -2.032
+ 4734TIP3    H220512  -2.074  -3.527  -2.002
+ 4735TIP3   OH220513  -0.680  -2.880  -2.359
+ 4735TIP3    H120514  -0.666  -2.786  -2.335
+ 4735TIP3    H220515  -0.594  -2.920  -2.336
+ 4736TIP3   OH220516  -2.413  -3.194  -1.108
+ 4736TIP3    H120517  -2.434  -3.185  -1.203
+ 4736TIP3    H220518  -2.395  -3.289  -1.100
+ 4737TIP3   OH220519  -0.631  -2.843  -0.860
+ 4737TIP3    H120520  -0.569  -2.908  -0.825
+ 4737TIP3    H220521  -0.676  -2.813  -0.781
+ 4738TIP3   OH220522  -1.495  -2.884  -0.940
+ 4738TIP3    H120523  -1.484  -2.813  -0.874
+ 4738TIP3    H220524  -1.579  -2.924  -0.912
+ 4739TIP3   OH220525  -1.467  -2.535  -1.959
+ 4739TIP3    H120526  -1.468  -2.527  -2.056
+ 4739TIP3    H220527  -1.455  -2.443  -1.930
+ 4740TIP3   OH220528  -2.081  -2.625  -1.794
+ 4740TIP3    H120529  -2.067  -2.670  -1.708
+ 4740TIP3    H220530  -2.166  -2.662  -1.820
+ 4741TIP3   OH220531  -1.132  -2.591  -2.242
+ 4741TIP3    H120532  -1.077  -2.662  -2.282
+ 4741TIP3    H220533  -1.132  -2.616  -2.148
+ 4742TIP3   OH220534  -1.185  -2.616  -1.944
+ 4742TIP3    H120535  -1.282  -2.611  -1.946
+ 4742TIP3    H220536  -1.172  -2.707  -1.916
+ 4743TIP3   OH220537  -0.877  -3.710  -0.794
+ 4743TIP3    H120538  -0.929  -3.668  -0.864
+ 4743TIP3    H220539  -0.871  -3.802  -0.826
+ 4744TIP3   OH220540  -2.188  -3.040  -0.975
+ 4744TIP3    H120541  -2.156  -3.092  -0.899
+ 4744TIP3    H220542  -2.257  -3.095  -1.015
+ 4745TIP3   OH220543  -1.860  -4.220  -1.387
+ 4745TIP3    H120544  -1.943  -4.242  -1.433
+ 4745TIP3    H220545  -1.884  -4.136  -1.346
+ 4746TIP3   OH220546  -1.405  -4.264  -1.031
+ 4746TIP3    H120547  -1.386  -4.307  -0.948
+ 4746TIP3    H220548  -1.500  -4.277  -1.041
+ 4747TIP3   OH220549  -1.107  -3.863  -0.989
+ 4747TIP3    H120550  -1.166  -3.874  -0.912
+ 4747TIP3    H220551  -1.113  -3.768  -1.007
+ 4748TIP3   OH220552  -1.008  -3.361  -2.362
+ 4748TIP3    H120553  -1.028  -3.379  -2.455
+ 4748TIP3    H220554  -0.913  -3.337  -2.368
+ 4749TIP3   OH220555  -1.443  -3.993  -2.316
+ 4749TIP3    H120556  -1.497  -4.004  -2.235
+ 4749TIP3    H220557  -1.492  -4.054  -2.376
+ 4750TIP3   OH220558  -1.877  -3.716  -1.262
+ 4750TIP3    H120559  -1.935  -3.702  -1.186
+ 4750TIP3    H220560  -1.867  -3.625  -1.298
+ 4751TIP3   OH220561  -1.882  -3.709  -1.773
+ 4751TIP3    H120562  -1.978  -3.717  -1.789
+ 4751TIP3    H220563  -1.847  -3.727  -1.862
+ 4752TIP3   OH220564  -1.320  -3.652  -1.897
+ 4752TIP3    H120565  -1.361  -3.569  -1.929
+ 4752TIP3    H220566  -1.254  -3.668  -1.966
+ 4753TIP3   OH220567  -1.401  -3.634  -0.767
+ 4753TIP3    H120568  -1.452  -3.705  -0.725
+ 4753TIP3    H220569  -1.315  -3.642  -0.721
+ 4754TIP3   OH220570  -1.235  -3.711  -1.618
+ 4754TIP3    H120571  -1.265  -3.654  -1.691
+ 4754TIP3    H220572  -1.215  -3.792  -1.669
+ 4755TIP3   OH220573  -2.140  -3.697  -1.081
+ 4755TIP3    H120574  -2.112  -3.666  -0.994
+ 4755TIP3    H220575  -2.179  -3.784  -1.059
+ 4756TIP3   OH220576  -1.804  -3.942  -2.421
+ 4756TIP3    H120577  -1.838  -3.977  -2.337
+ 4756TIP3    H220578  -1.884  -3.929  -2.473
+ 4757TIP3   OH220579  -2.462  -3.961  -1.715
+ 4757TIP3    H120580  -2.404  -3.954  -1.636
+ 4757TIP3    H220581  -2.402  -3.992  -1.783
+ 4758TIP3   OH220582  -2.301  -3.912  -2.144
+ 4758TIP3    H120583  -2.245  -3.861  -2.206
+ 4758TIP3    H220584  -2.371  -3.846  -2.124
+ 4759TIP3   OH220585  -1.328  -3.543  -1.175
+ 4759TIP3    H120586  -1.282  -3.616  -1.222
+ 4759TIP3    H220587  -1.357  -3.587  -1.094
+ 4760TIP3   OH220588  -1.605  -3.944  -1.675
+ 4760TIP3    H120589  -1.699  -3.958  -1.654
+ 4760TIP3    H220590  -1.562  -3.971  -1.593
+ 4761TIP3   OH220591  -2.149  -3.828  -1.803
+ 4761TIP3    H120592  -2.229  -3.797  -1.850
+ 4761TIP3    H220593  -2.122  -3.908  -1.852
+ 4762TIP3   OH220594  -1.786  -3.792  -2.035
+ 4762TIP3    H120595  -1.689  -3.784  -2.030
+ 4762TIP3    H220596  -1.811  -3.732  -2.107
+ 4763TIP3   OH220597  -1.170  -4.033  -1.371
+ 4763TIP3    H120598  -1.232  -4.034  -1.295
+ 4763TIP3    H220599  -1.230  -4.064  -1.442
+ 4764TIP3   OH220600  -1.939  -3.672  -2.259
+ 4764TIP3    H120601  -1.997  -3.696  -2.333
+ 4764TIP3    H220602  -1.857  -3.649  -2.307
+ 4765TIP3   OH220603  -2.075  -3.197  -0.762
+ 4765TIP3    H120604  -2.006  -3.189  -0.692
+ 4765TIP3    H220605  -2.154  -3.193  -0.705
+ 4766TIP3   OH220606  -1.503  -3.694  -1.489
+ 4766TIP3    H120607  -1.431  -3.738  -1.535
+ 4766TIP3    H220608  -1.520  -3.755  -1.415
+ 4767TIP3   OH220609  -1.991  -4.066  -1.869
+ 4767TIP3    H120610  -2.034  -4.152  -1.854
+ 4767TIP3    H220611  -1.904  -4.094  -1.902
+ 4768TIP3   OH220612  -1.607  -3.849  -1.263
+ 4768TIP3    H120613  -1.682  -3.788  -1.263
+ 4768TIP3    H220614  -1.557  -3.821  -1.183
+ 4769TIP3   OH220615  -1.592  -3.210  -2.075
+ 4769TIP3    H120616  -1.668  -3.260  -2.110
+ 4769TIP3    H220617  -1.613  -3.204  -1.979
+ 4770TIP3   OH220618  -0.868  -3.297  -1.204
+ 4770TIP3    H120619  -0.820  -3.240  -1.268
+ 4770TIP3    H220620  -0.955  -3.305  -1.247
+ 4771TIP3   OH220621  -1.176  -3.928  -2.315
+ 4771TIP3    H120622  -1.273  -3.938  -2.310
+ 4771TIP3    H220623  -1.157  -3.863  -2.245
+ 4772TIP3   OH220624  -1.434  -3.200  -0.944
+ 4772TIP3    H120625  -1.456  -3.235  -0.856
+ 4772TIP3    H220626  -1.460  -3.108  -0.936
+ 4773TIP3   OH220627  -1.110  -3.750  -2.100
+ 4773TIP3    H120628  -1.024  -3.763  -2.055
+ 4773TIP3    H220629  -1.100  -3.660  -2.136
+ 4774TIP3   OH220630  -2.077  -3.272  -1.491
+ 4774TIP3    H120631  -2.021  -3.281  -1.570
+ 4774TIP3    H220632  -2.072  -3.360  -1.451
+ 4775TIP3   OH220633  -1.354  -3.072  -2.186
+ 4775TIP3    H120634  -1.378  -2.987  -2.143
+ 4775TIP3    H220635  -1.427  -3.129  -2.155
+ 4776TIP3   OH220636  -2.353  -3.443  -0.965
+ 4776TIP3    H120637  -2.336  -3.489  -0.881
+ 4776TIP3    H220638  -2.411  -3.505  -1.012
+ 4777TIP3   OH220639  -1.656  -3.495  -0.767
+ 4777TIP3    H120640  -1.689  -3.516  -0.856
+ 4777TIP3    H220641  -1.561  -3.517  -0.777
+ 4778TIP3   OH220642  -1.201  -2.946  -0.990
+ 4778TIP3    H120643  -1.295  -2.924  -0.989
+ 4778TIP3    H220644  -1.174  -2.922  -0.899
+ 4779TIP3   OH220645  -0.648  -3.747  -2.119
+ 4779TIP3    H120646  -0.705  -3.766  -2.196
+ 4779TIP3    H220647  -0.637  -3.651  -2.132
+ 4780TIP3   OH220648  -0.609  -3.158  -0.836
+ 4780TIP3    H120649  -0.694  -3.111  -0.850
+ 4780TIP3    H220650  -0.567  -3.143  -0.923
+ 4781TIP3   OH220651  -0.827  -2.879  -2.105
+ 4781TIP3    H120652  -0.855  -2.957  -2.054
+ 4781TIP3    H220653  -0.778  -2.919  -2.178
+ 4782TIP3   OH220654  -1.103  -3.349  -1.373
+ 4782TIP3    H120655  -1.197  -3.365  -1.394
+ 4782TIP3    H220656  -1.060  -3.422  -1.420
+ 4783TIP3   OH220657  -1.839  -2.944  -1.776
+ 4783TIP3    H120658  -1.801  -2.855  -1.778
+ 4783TIP3    H220659  -1.933  -2.926  -1.783
+ 4784TIP3   OH220660  -2.242  -3.462  -2.307
+ 4784TIP3    H120661  -2.184  -3.395  -2.266
+ 4784TIP3    H220662  -2.329  -3.436  -2.271
+ 4785TIP3   OH220663  -1.657  -3.171  -1.807
+ 4785TIP3    H120664  -1.691  -3.082  -1.792
+ 4785TIP3    H220665  -1.725  -3.224  -1.763
+ 4786TIP3   OH220666  -1.638  -2.751  -1.169
+ 4786TIP3    H120667  -1.582  -2.677  -1.196
+ 4786TIP3    H220668  -1.580  -2.796  -1.105
+ 4787TIP3   OH220669  -1.796  -2.651  -1.848
+ 4787TIP3    H120670  -1.892  -2.641  -1.835
+ 4787TIP3    H220671  -1.763  -2.564  -1.821
+ 4788TIP3   OH220672  -1.302  -3.172  -1.215
+ 4788TIP3    H120673  -1.329  -3.193  -1.124
+ 4788TIP3    H220674  -1.225  -3.230  -1.226
+ 4789TIP3   OH220675  -1.082  -3.039  -2.319
+ 4789TIP3    H120676  -1.042  -3.089  -2.245
+ 4789TIP3    H220677  -1.175  -3.053  -2.298
+ 4790TIP3   OH220678  -0.979  -2.710  -0.961
+ 4790TIP3    H120679  -1.066  -2.742  -0.988
+ 4790TIP3    H220680  -0.976  -2.619  -0.993
+ 4791TIP3   OH220681  -0.614  -2.612  -2.269
+ 4791TIP3    H120682  -0.546  -2.547  -2.293
+ 4791TIP3    H220683  -0.690  -2.553  -2.260
+ 4792TIP3   OH220684  -2.220  -3.961  -1.007
+ 4792TIP3    H120685  -2.310  -3.942  -1.039
+ 4792TIP3    H220686  -2.236  -4.048  -0.964
+ 4793TIP3   OH220687  -0.986  -3.180  -2.085
+ 4793TIP3    H120688  -1.016  -3.251  -2.024
+ 4793TIP3    H220689  -0.890  -3.182  -2.071
+ 4794TIP3   OH220690  -2.243  -2.789  -1.159
+ 4794TIP3    H120691  -2.236  -2.884  -1.173
+ 4794TIP3    H220692  -2.207  -2.780  -1.071
+ 4795TIP3   OH220693  -1.658  -2.937  -2.463
+ 4795TIP3    H120694  -1.631  -3.017  -2.512
+ 4795TIP3    H220695  -1.702  -2.976  -2.385
+ 4796TIP3   OH220696  -1.772  -2.984  -2.195
+ 4796TIP3    H120697  -1.728  -3.037  -2.128
+ 4796TIP3    H220698  -1.761  -2.893  -2.159
+ 4797TIP3   OH220699  -2.091  -3.241  -2.154
+ 4797TIP3    H120700  -2.164  -3.204  -2.100
+ 4797TIP3    H220701  -2.045  -3.159  -2.178
+ 4798TIP3   OH220702  -1.327  -4.009  -1.143
+ 4798TIP3    H120703  -1.268  -3.980  -1.073
+ 4798TIP3    H220704  -1.365  -4.092  -1.107
+ 4799TIP3   OH220705  -1.248  -4.058  -2.026
+ 4799TIP3    H120706  -1.245  -3.996  -2.101
+ 4799TIP3    H220707  -1.214  -4.002  -1.954
+ 4800TIP3   OH220708  -1.474  -2.817  -2.129
+ 4800TIP3    H120709  -1.559  -2.774  -2.109
+ 4800TIP3    H220710  -1.449  -2.776  -2.213
+ 4801TIP3   OH220711  -1.516  -3.852  -1.926
+ 4801TIP3    H120712  -1.443  -3.788  -1.911
+ 4801TIP3    H220713  -1.547  -3.868  -1.834
+ 4802TIP3   OH220714  -1.485  -3.763  -1.014
+ 4802TIP3    H120715  -1.477  -3.709  -0.933
+ 4802TIP3    H220716  -1.425  -3.836  -0.994
+ 4803TIP3   OH220717  -1.445  -4.173  -1.825
+ 4803TIP3    H120718  -1.479  -4.097  -1.774
+ 4803TIP3    H220719  -1.391  -4.129  -1.893
+ 4804TIP3   OH220720  -1.758  -2.715  -2.129
+ 4804TIP3    H120721  -1.766  -2.633  -2.182
+ 4804TIP3    H220722  -1.774  -2.683  -2.039
+ 4805TIP3   OH220723  -1.891  -4.050  -2.177
+ 4805TIP3    H120724  -1.888  -3.969  -2.124
+ 4805TIP3    H220725  -1.804  -4.088  -2.155
+ 4806TIP3   OH220726  -0.846  -3.964  -0.932
+ 4806TIP3    H120727  -0.942  -3.953  -0.942
+ 4806TIP3    H220728  -0.825  -3.986  -1.024
+ 4807TIP3   OH220729  -1.003  -3.575  -1.525
+ 4807TIP3    H120730  -1.086  -3.619  -1.549
+ 4807TIP3    H220731  -0.955  -3.645  -1.476
+ 4808TIP3   OH220732  -2.047  -2.959  -2.278
+ 4808TIP3    H120733  -1.974  -2.910  -2.236
+ 4808TIP3    H220734  -1.997  -3.011  -2.342
+ 4809TIP3   OH220735  -2.232  -3.744  -2.366
+ 4809TIP3    H120736  -2.220  -3.650  -2.342
+ 4809TIP3    H220737  -2.321  -3.743  -2.405
+ 4810TIP3   OH220738  -0.911  -2.667  -1.382
+ 4810TIP3    H120739  -0.900  -2.587  -1.436
+ 4810TIP3    H220740  -0.824  -2.673  -1.340
+ 4811TIP3   OH220741  -2.222  -4.244  -1.468
+ 4811TIP3    H120742  -2.180  -4.241  -1.555
+ 4811TIP3    H220743  -2.197  -4.334  -1.441
+ 4812TIP3   OH220744  -2.252  -2.896  -1.867
+ 4812TIP3    H120745  -2.323  -2.847  -1.822
+ 4812TIP3    H220746  -2.218  -2.831  -1.930
+ 4813TIP3   OH220747  -2.309  -2.597  -0.741
+ 4813TIP3    H120748  -2.246  -2.635  -0.679
+ 4813TIP3    H220749  -2.349  -2.679  -0.776
+ 4814TIP3   OH220750  -1.437  -2.767  -2.412
+ 4814TIP3    H120751  -1.514  -2.828  -2.423
+ 4814TIP3    H220752  -1.367  -2.823  -2.450
+ 4815TIP3   OH220753  -1.173  -2.875  -0.706
+ 4815TIP3    H120754  -1.227  -2.944  -0.665
+ 4815TIP3    H220755  -1.112  -2.853  -0.634
+ 4816TIP3   OH220756  -0.974  -2.774  -2.401
+ 4816TIP3    H120757  -0.963  -2.858  -2.352
+ 4816TIP3    H220758  -0.895  -2.772  -2.457
+ 4817TIP3   OH220759  -2.318  -3.236  -0.630
+ 4817TIP3    H120760  -2.306  -3.325  -0.668
+ 4817TIP3    H220761  -2.393  -3.204  -0.685
+ 4818TIP3   OH220762  -1.894  -3.193  -2.430
+ 4818TIP3    H120763  -1.879  -3.251  -2.354
+ 4818TIP3    H220764  -1.807  -3.198  -2.474
+ 4819TIP3   OH220765  -1.653  -3.214  -0.695
+ 4819TIP3    H120766  -1.681  -3.178  -0.780
+ 4819TIP3    H220767  -1.646  -3.310  -0.712
+ 4820TIP3   OH220768  -1.368  -3.060  -2.468
+ 4820TIP3    H120769  -1.376  -3.064  -2.371
+ 4820TIP3    H220770  -1.375  -3.155  -2.490
+ 4821TIP3   OH220771  -1.117  -3.251  -0.960
+ 4821TIP3    H120772  -1.036  -3.197  -0.974
+ 4821TIP3    H220773  -1.184  -3.181  -0.956
+ 4822TIP3   OH220774  -2.231  -3.526  -0.714
+ 4822TIP3    H120775  -2.154  -3.585  -0.712
+ 4822TIP3    H220776  -2.234  -3.498  -0.621
+ 4823TIP3   OH220777  -1.786  -3.384  -2.196
+ 4823TIP3    H120778  -1.847  -3.434  -2.139
+ 4823TIP3    H220779  -1.756  -3.454  -2.258
+ 4824TIP3   OH220780  -1.865  -3.609  -0.971
+ 4824TIP3    H120781  -1.918  -3.530  -0.951
+ 4824TIP3    H220782  -1.799  -3.573  -1.033
+ 4825TIP3   OH220783  -1.691  -3.583  -2.369
+ 4825TIP3    H120784  -1.695  -3.576  -2.467
+ 4825TIP3    H220785  -1.595  -3.587  -2.354
+ 4826TIP3   OH220786  -1.337  -3.340  -0.619
+ 4826TIP3    H120787  -1.244  -3.352  -0.642
+ 4826TIP3    H220788  -1.357  -3.421  -0.570
+ 4827TIP3   OH220789  -0.738  -3.331  -2.438
+ 4827TIP3    H120790  -0.749  -3.375  -2.523
+ 4827TIP3    H220791  -0.751  -3.237  -2.463
+ 4828TIP3   OH220792  -1.806  -3.880  -0.860
+ 4828TIP3    H120793  -1.796  -3.943  -0.932
+ 4828TIP3    H220794  -1.825  -3.797  -0.908
+ 4829TIP3   OH220795  -1.766  -4.038  -1.118
+ 4829TIP3    H120796  -1.714  -3.981  -1.178
+ 4829TIP3    H220797  -1.857  -4.025  -1.152
+ 4830TIP3   OH220798  -1.617  -3.488  -1.071
+ 4830TIP3    H120799  -1.533  -3.495  -1.119
+ 4830TIP3    H220800  -1.648  -3.400  -1.101
+ 4831TIP3   OH220801  -1.161  -3.694  -0.594
+ 4831TIP3    H120802  -1.136  -3.786  -0.577
+ 4831TIP3    H220803  -1.074  -3.651  -0.597
+ 4832TIP3   OH220804  -1.059  -3.417  -0.749
+ 4832TIP3    H120805  -1.095  -3.353  -0.813
+ 4832TIP3    H220806  -0.968  -3.426  -0.783
+ 4833TIP3   OH220807  -1.985  -3.697  -0.674
+ 4833TIP3    H120808  -2.035  -3.780  -0.677
+ 4833TIP3    H220809  -1.903  -3.722  -0.721
+ 4834TIP3   OH220810  -1.720  -4.278  -0.995
+ 4834TIP3    H120811  -1.706  -4.187  -1.031
+ 4834TIP3    H220812  -1.814  -4.288  -1.018
+ 4835TIP3   OH220813  -1.571  -3.846  -0.700
+ 4835TIP3    H120814  -1.603  -3.870  -0.611
+ 4835TIP3    H220815  -1.652  -3.863  -0.752
+ 4836TIP3   OH220816  -1.314  -3.947  -0.803
+ 4836TIP3    H120817  -1.402  -3.929  -0.765
+ 4836TIP3    H220818  -1.276  -4.009  -0.739
+ 4837TIP3   OH220819  -1.140  -4.138  -0.633
+ 4837TIP3    H120820  -1.155  -4.224  -0.592
+ 4837TIP3    H220821  -1.153  -4.076  -0.559
+ 4838TIP3   OH220822  -2.103  -3.960  -0.689
+ 4838TIP3    H120823  -2.131  -4.019  -0.761
+ 4838TIP3    H220824  -2.151  -3.997  -0.613
+ 4839TIP3   OH220825  -1.609  -4.149  -0.586
+ 4839TIP3    H120826  -1.634  -4.228  -0.637
+ 4839TIP3    H220827  -1.692  -4.097  -0.584
+ 4840TIP3   OH220828  -1.714  -2.457  -2.259
+ 4840TIP3    H120829  -1.618  -2.449  -2.250
+ 4840TIP3    H220830  -1.729  -2.416  -2.344
+ 4841TIP3   OH220831  -2.324  -3.018  -2.310
+ 4841TIP3    H120832  -2.229  -3.001  -2.292
+ 4841TIP3    H220833  -2.320  -3.099  -2.364
+ 4842TIP3   OH220834  -2.421  -2.502  -1.834
+ 4842TIP3    H120835  -2.495  -2.539  -1.886
+ 4842TIP3    H220836  -2.411  -2.570  -1.764
+ 4843TIP3   OH220837  -2.377  -2.701  -1.634
+ 4843TIP3    H120838  -2.418  -2.785  -1.605
+ 4843TIP3    H220839  -2.347  -2.670  -1.547
+ 4844TIP3   OH220840  -0.629  -2.572  -1.332
+ 4844TIP3    H120841  -0.624  -2.577  -1.234
+ 4844TIP3    H220842  -0.537  -2.553  -1.355
+ 4845TIP3   OH220843  -0.632  -2.612  -1.051
+ 4845TIP3    H120844  -0.701  -2.679  -1.067
+ 4845TIP3    H220845  -0.596  -2.649  -0.968
+ 4846TIP3   OH220846  -0.823  -3.065  -0.598
+ 4846TIP3    H120847  -0.917  -3.058  -0.572
+ 4846TIP3    H220848  -0.786  -2.985  -0.557
+ 4847TIP3   OH220849  -0.698  -3.195  -2.044
+ 4847TIP3    H120850  -0.610  -3.164  -2.021
+ 4847TIP3    H220851  -0.713  -3.259  -1.972
+ 4848TIP3   OH220852  -0.654  -3.399  -1.847
+ 4848TIP3    H120853  -0.724  -3.454  -1.805
+ 4848TIP3    H220854  -0.588  -3.387  -1.776
+ 4849TIP3   OH220855  -0.684  -3.150  -1.349
+ 4849TIP3    H120856  -0.617  -3.195  -1.401
+ 4849TIP3    H220857  -0.672  -3.057  -1.374
+ 4850TIP3   OH220858  -0.810  -2.849  -1.136
+ 4850TIP3    H120859  -0.869  -2.813  -1.066
+ 4850TIP3    H220860  -0.871  -2.895  -1.195
+ 4851TIP3   OH220861  -0.626  -3.451  -2.190
+ 4851TIP3    H120862  -0.680  -3.426  -2.267
+ 4851TIP3    H220863  -0.645  -3.379  -2.129
+ 4852TIP3   OH220864  -0.802  -3.697  -2.363
+ 4852TIP3    H120865  -0.774  -3.640  -2.436
+ 4852TIP3    H220866  -0.827  -3.779  -2.409
+ 4853TIP3   OH220867  -0.859  -3.583  -1.765
+ 4853TIP3    H120868  -0.868  -3.678  -1.782
+ 4853TIP3    H220869  -0.899  -3.575  -1.675
+ 4854TIP3   OH220870  -2.390  -3.367  -1.385
+ 4854TIP3    H120871  -2.382  -3.328  -1.474
+ 4854TIP3    H220872  -2.297  -3.369  -1.357
+ 4855TIP3   OH220873  -0.797  -3.390  -0.851
+ 4855TIP3    H120874  -0.724  -3.451  -0.830
+ 4855TIP3    H220875  -0.751  -3.306  -0.867
+ 4856TIP3   OH220876  -0.645  -3.583  -0.729
+ 4856TIP3    H120877  -0.724  -3.636  -0.751
+ 4856TIP3    H220878  -0.575  -3.651  -0.730
+ 4857TIP3   OH220879  -0.860  -3.967  -2.445
+ 4857TIP3    H120880  -0.801  -4.013  -2.382
+ 4857TIP3    H220881  -0.942  -4.018  -2.437
+ 4858TIP3   OH220882  -0.878  -3.827  -1.946
+ 4858TIP3    H120883  -0.861  -3.924  -1.939
+ 4858TIP3    H220884  -0.795  -3.798  -1.987
+ 4859TIP3   OH220885  -0.852  -3.774  -1.406
+ 4859TIP3    H120886  -0.754  -3.767  -1.407
+ 4859TIP3    H220887  -0.867  -3.775  -1.310
+ 4860TIP3   OH220888  -0.838  -3.706  -1.122
+ 4860TIP3    H120889  -0.921  -3.664  -1.094
+ 4860TIP3    H220890  -0.782  -3.629  -1.142
+ 4861TIP3   OH220891  -2.392  -3.836  -0.743
+ 4861TIP3    H120892  -2.299  -3.857  -0.760
+ 4861TIP3    H220893  -2.433  -3.924  -0.744
+ 4862TIP3   OH220894  -0.620  -4.277  -0.543
+ 4862TIP3    H120895  -0.572  -4.357  -0.568
+ 4862TIP3    H220896  -0.620  -4.219  -0.622
+ 4863TIP3   OH220897  -0.848  -4.099  -1.937
+ 4863TIP3    H120898  -0.826  -4.149  -1.858
+ 4863TIP3    H220899  -0.910  -4.159  -1.981
+ 4864TIP3   OH220900  -2.316  -3.990  -1.476
+ 4864TIP3    H120901  -2.284  -4.083  -1.463
+ 4864TIP3    H220902  -2.242  -3.939  -1.437
+ 4865TIP3   OH220903  -2.454  -3.730  -1.372
+ 4865TIP3    H120904  -2.394  -3.729  -1.449
+ 4865TIP3    H220905  -2.421  -3.654  -1.322
+ 4866TIP3   OH220906  -0.642  -4.113  -0.758
+ 4866TIP3    H120907  -0.726  -4.065  -0.749
+ 4866TIP3    H220908  -0.652  -4.145  -0.850
+ 4867TIP3   OH220909  -0.634  -4.056  -2.277
+ 4867TIP3    H120910  -0.618  -4.142  -2.322
+ 4867TIP3    H220911  -0.547  -4.015  -2.276
+ 4868TIP3   OH220912  -2.401  -4.106  -1.970
+ 4868TIP3    H120913  -2.496  -4.092  -1.984
+ 4868TIP3    H220914  -2.361  -4.035  -2.023
+ 4869TIP3   OH220915  -0.907  -2.529  -1.778
+ 4869TIP3    H120916  -0.870  -2.600  -1.834
+ 4869TIP3    H220917  -0.868  -2.550  -1.691
+ 4870TIP3   OH220918  -2.422  -4.128  -1.113
+ 4870TIP3    H120919  -2.425  -4.222  -1.087
+ 4870TIP3    H220920  -2.444  -4.133  -1.207
+ 4871TIP3   OH220921  -2.201  -2.893  -0.679
+ 4871TIP3    H120922  -2.270  -2.900  -0.747
+ 4871TIP3    H220923  -2.250  -2.907  -0.597
+ 4872TIP3   OH220924  -1.916  -2.797  -1.106
+ 4872TIP3    H120925  -1.949  -2.713  -1.141
+ 4872TIP3    H220926  -1.821  -2.788  -1.126
+ 4873TIP3   OH220927  -1.257  -2.526  -0.868
+ 4873TIP3    H120928  -1.191  -2.595  -0.879
+ 4873TIP3    H220929  -1.240  -2.495  -0.778
+ 4874TIP3   OH220930  -0.779  -4.278  -0.969
+ 4874TIP3    H120931  -0.828  -4.213  -1.022
+ 4874TIP3    H220932  -0.764  -4.346  -1.036
+ 4875TIP3   OH220933  -2.171  -2.490  -1.069
+ 4875TIP3    H120934  -2.231  -2.435  -1.122
+ 4875TIP3    H220935  -2.226  -2.510  -0.993
+ 4876TIP3   OH220936  -1.919  -2.523  -1.218
+ 4876TIP3    H120937  -2.005  -2.506  -1.173
+ 4876TIP3    H220938  -1.919  -2.454  -1.287
+ 4877TIP3   OH220939  -1.455  -2.529  -1.268
+ 4877TIP3    H120940  -1.495  -2.476  -1.339
+ 4877TIP3    H220941  -1.445  -2.462  -1.197
+ 4878TIP3   OH220942  -1.203  -2.637  -1.170
+ 4878TIP3    H120943  -1.295  -2.619  -1.195
+ 4878TIP3    H220944  -1.166  -2.548  -1.166
+ 4879TIP3   OH220945  -0.940  -2.446  -1.149
+ 4879TIP3    H120946  -0.984  -2.369  -1.183
+ 4879TIP3    H220947  -0.936  -2.508  -1.223
+ 4880TIP3   OH220948  -2.221  -2.621  -1.383
+ 4880TIP3    H120949  -2.233  -2.676  -1.302
+ 4880TIP3    H220950  -2.151  -2.671  -1.427
+ 4881TIP3   OH220951  -2.019  -2.749  -1.548
+ 4881TIP3    H120952  -2.041  -2.839  -1.513
+ 4881TIP3    H220953  -1.931  -2.735  -1.508
+ 4882TIP3   OH220954  -1.740  -2.700  -1.454
+ 4882TIP3    H120955  -1.727  -2.795  -1.474
+ 4882TIP3    H220956  -1.737  -2.702  -1.357
+ 4883TIP3   OH220957  -1.414  -4.112  -1.525
+ 4883TIP3    H120958  -1.477  -4.182  -1.497
+ 4883TIP3    H220959  -1.355  -4.161  -1.583
+ 4884TIP3   OH220960  -0.886  -4.331  -1.479
+ 4884TIP3    H120961  -0.827  -4.289  -1.544
+ 4884TIP3    H220962  -0.973  -4.306  -1.511
+ 4885TIP3   OH220963  -0.690  -4.226  -1.697
+ 4885TIP3    H120964  -0.635  -4.244  -1.774
+ 4885TIP3    H220965  -0.674  -4.131  -1.683
+ 4886TIP3   OH220966  -2.178  -4.284  -1.796
+ 4886TIP3    H120967  -2.270  -4.307  -1.813
+ 4886TIP3    H220968  -2.143  -4.364  -1.757
+ 4887TIP3   OH220969  -2.322  -4.291  -2.170
+ 4887TIP3    H120970  -2.274  -4.243  -2.240
+ 4887TIP3    H220971  -2.355  -4.217  -2.115
+ 4888TIP3   OH220972  -1.731  -4.228  -1.767
+ 4888TIP3    H120973  -1.636  -4.234  -1.787
+ 4888TIP3    H220974  -1.742  -4.293  -1.697
+ 4889TIP3   OH220975  -1.172  -4.265  -1.630
+ 4889TIP3    H120976  -1.141  -4.263  -1.721
+ 4889TIP3    H220977  -1.188  -4.359  -1.613
+ 4890TIP3   OH220978  -1.063  -4.272  -2.035
+ 4890TIP3    H120979  -1.139  -4.213  -2.053
+ 4890TIP3    H220980  -1.104  -4.360  -2.035
+ 4891TIP3   OH220981  -2.273  -2.695  -2.068
+ 4891TIP3    H120982  -2.341  -2.707  -2.135
+ 4891TIP3    H220983  -2.279  -2.599  -2.053
+ 4892TIP3   OH220984  -2.128  -4.125  -2.326
+ 4892TIP3    H120985  -2.057  -4.162  -2.382
+ 4892TIP3    H220986  -2.076  -4.074  -2.262
+ 4893TIP3   OH220987  -1.605  -4.060  -2.097
+ 4893TIP3    H120988  -1.597  -4.144  -2.048
+ 4893TIP3    H220989  -1.587  -3.992  -2.029
+ 4894TIP3   OH220990  -1.411  -2.512  -2.254
+ 4894TIP3    H120991  -1.314  -2.509  -2.255
+ 4894TIP3    H220992  -1.428  -2.580  -2.320
+ 4895TIP3   OH220993  -0.741  -2.619  -1.988
+ 4895TIP3    H120994  -0.766  -2.703  -2.032
+ 4895TIP3    H220995  -0.754  -2.555  -2.060
+ 4896TIP3   OH220996  -2.217  -4.179  -0.846
+ 4896TIP3    H120997  -2.260  -4.260  -0.814
+ 4896TIP3    H220998  -2.128  -4.214  -0.859
+ 4897TIP3   OH220999  -1.924  -4.279  -0.582
+ 4897TIP3    H121000  -1.836  -4.304  -0.619
+ 4897TIP3    H221001  -1.947  -4.358  -0.532
+ 4898TIP3   OH221002  -2.132  -2.599  -2.384
+ 4898TIP3    H121003  -2.159  -2.575  -2.295
+ 4898TIP3    H221004  -2.057  -2.659  -2.368
+ 4899TIP3   OH221005   0.607  -3.346  -1.800
+ 4899TIP3    H121006   0.602  -3.254  -1.771
+ 4899TIP3    H221007   0.525  -3.358  -1.849
+ 4900TIP3   OH221008  -0.253  -3.461  -1.270
+ 4900TIP3    H121009  -0.259  -3.536  -1.209
+ 4900TIP3    H221010  -0.186  -3.408  -1.224
+ 4901TIP3   OH221011   0.865  -3.152  -1.603
+ 4901TIP3    H121012   0.812  -3.224  -1.564
+ 4901TIP3    H221013   0.885  -3.097  -1.526
+ 4902TIP3   OH221014  -0.185  -3.000  -1.431
+ 4902TIP3    H121015  -0.213  -3.093  -1.439
+ 4902TIP3    H221016  -0.101  -3.011  -1.384
+ 4903TIP3   OH221017  -0.491  -3.658  -1.881
+ 4903TIP3    H121018  -0.535  -3.572  -1.871
+ 4903TIP3    H221019  -0.563  -3.712  -1.916
+ 4904TIP3   OH221020  -0.400  -3.411  -1.701
+ 4904TIP3    H121021  -0.403  -3.489  -1.643
+ 4904TIP3    H221022  -0.317  -3.427  -1.747
+ 4905TIP3   OH221023   0.569  -2.614  -1.548
+ 4905TIP3    H121024   0.629  -2.686  -1.576
+ 4905TIP3    H221025   0.543  -2.644  -1.460
+ 4906TIP3   OH221026   0.348  -3.185  -1.387
+ 4906TIP3    H121027   0.389  -3.257  -1.438
+ 4906TIP3    H221028   0.425  -3.164  -1.332
+ 4907TIP3   OH221029   1.204  -4.022  -1.319
+ 4907TIP3    H121030   1.232  -3.970  -1.242
+ 4907TIP3    H221031   1.263  -3.986  -1.387
+ 4908TIP3   OH221032   0.676  -3.757  -1.330
+ 4908TIP3    H121033   0.691  -3.849  -1.359
+ 4908TIP3    H221034   0.659  -3.708  -1.411
+ 4909TIP3   OH221035  -0.031  -3.942  -1.617
+ 4909TIP3    H121036  -0.013  -3.856  -1.659
+ 4909TIP3    H221037  -0.065  -3.992  -1.693
+ 4910TIP3   OH221038   0.751  -3.925  -1.787
+ 4910TIP3    H121039   0.806  -3.948  -1.711
+ 4910TIP3    H221040   0.798  -3.850  -1.824
+ 4911TIP3   OH221041  -0.359  -3.660  -1.571
+ 4911TIP3    H121042  -0.299  -3.707  -1.510
+ 4911TIP3    H221043  -0.350  -3.714  -1.651
+ 4912TIP3   OH221044   0.176  -3.518  -1.623
+ 4912TIP3    H121045   0.258  -3.564  -1.594
+ 4912TIP3    H221046   0.131  -3.592  -1.669
+ 4913TIP3   OH221047   1.294  -3.850  -1.057
+ 4913TIP3    H121048   1.220  -3.796  -1.090
+ 4913TIP3    H221049   1.256  -3.888  -0.977
+ 4914TIP3   OH221050  -0.151  -4.057  -1.203
+ 4914TIP3    H121051  -0.183  -3.999  -1.273
+ 4914TIP3    H221052  -0.216  -4.037  -1.133
+ 4915TIP3   OH221053   0.606  -3.060  -1.871
+ 4915TIP3    H121054   0.565  -3.093  -1.951
+ 4915TIP3    H221055   0.554  -2.980  -1.850
+ 4916TIP3   OH221056   0.140  -3.268  -1.190
+ 4916TIP3    H121057   0.067  -3.207  -1.166
+ 4916TIP3    H221058   0.206  -3.209  -1.230
+ 4917TIP3   OH221059   0.953  -4.022  -1.578
+ 4917TIP3    H121060   0.893  -4.055  -1.509
+ 4917TIP3    H221061   0.997  -3.948  -1.531
+ 4918TIP3   OH221062  -0.189  -3.855  -1.408
+ 4918TIP3    H121063  -0.126  -3.795  -1.361
+ 4918TIP3    H221064  -0.131  -3.889  -1.479
+ 4919TIP3   OH221065  -0.068  -3.081  -1.125
+ 4919TIP3    H121066  -0.064  -2.984  -1.139
+ 4919TIP3    H221067  -0.146  -3.085  -1.066
+ 4920TIP3   OH221068  -0.415  -3.109  -2.028
+ 4920TIP3    H121069  -0.446  -3.070  -2.112
+ 4920TIP3    H221070  -0.414  -3.031  -1.968
+ 4921TIP3   OH221071   0.920  -2.969  -1.355
+ 4921TIP3    H121072   0.823  -2.957  -1.348
+ 4921TIP3    H221073   0.946  -2.882  -1.390
+ 4922TIP3   OH221074   0.964  -4.114  -1.182
+ 4922TIP3    H121075   0.884  -4.077  -1.222
+ 4922TIP3    H221076   1.031  -4.094  -1.251
+ 4923TIP3   OH221077   0.270   4.379  -1.485
+ 4923TIP3    H121078   0.266   4.285  -1.466
+ 4923TIP3    H221079   0.187   4.414  -1.446
+ 4924TIP3   OH221080   0.749  -2.774  -1.700
+ 4924TIP3    H121081   0.799  -2.854  -1.725
+ 4924TIP3    H221082   0.818  -2.705  -1.707
+ 4925TIP3   OH221083   0.902  -2.990  -1.834
+ 4925TIP3    H121084   0.841  -3.032  -1.897
+ 4925TIP3    H221085   0.896  -3.052  -1.759
+ 4926TIP3   OH221086   1.055  -3.112  -0.995
+ 4926TIP3    H121087   1.037  -3.173  -1.069
+ 4926TIP3    H221088   1.062  -3.027  -1.041
+ 4927TIP3   OH221089   0.460  -3.424  -2.027
+ 4927TIP3    H121090   0.405  -3.357  -2.071
+ 4927TIP3    H221091   0.540  -3.426  -2.083
+ 4928TIP3   OH221092   0.503  -3.595  -2.318
+ 4928TIP3    H121093   0.566  -3.568  -2.249
+ 4928TIP3    H221094   0.560  -3.652  -2.371
+ 4929TIP3   OH221095   1.222  -3.483  -1.192
+ 4929TIP3    H121096   1.145  -3.424  -1.188
+ 4929TIP3    H221097   1.269  -3.448  -1.270
+ 4930TIP3   OH221098   0.840  -3.421  -1.914
+ 4930TIP3    H121099   0.766  -3.394  -1.854
+ 4930TIP3    H221100   0.894  -3.476  -1.854
+ 4931TIP3   OH221101   0.825  -3.562  -1.020
+ 4931TIP3    H121102   0.821  -3.476  -0.975
+ 4931TIP3    H221103   0.744  -3.551  -1.076
+ 4932TIP3   OH221104  -0.024  -3.326  -1.750
+ 4932TIP3    H121105  -0.046  -3.392  -1.819
+ 4932TIP3    H221106   0.039  -3.380  -1.697
+ 4933TIP3   OH221107   0.133  -2.999  -1.461
+ 4933TIP3    H121108   0.126  -3.054  -1.539
+ 4933TIP3    H221109   0.208  -3.041  -1.415
+ 4934TIP3   OH221110   0.041  -3.445  -1.388
+ 4934TIP3    H121111   0.109  -3.455  -1.458
+ 4934TIP3    H221112   0.087  -3.390  -1.322
+ 4935TIP3   OH221113   0.639  -2.903  -1.324
+ 4935TIP3    H121114   0.643  -2.837  -1.252
+ 4935TIP3    H221115   0.621  -2.986  -1.276
+ 4936TIP3   OH221116   0.132  -3.030  -0.899
+ 4936TIP3    H121117   0.078  -2.966  -0.848
+ 4936TIP3    H221118   0.068  -3.056  -0.967
+ 4937TIP3   OH221119   0.720  -3.469  -2.160
+ 4937TIP3    H121120   0.770  -3.445  -2.079
+ 4937TIP3    H221121   0.771  -3.418  -2.228
+ 4938TIP3   OH221122  -0.178  -3.385  -0.986
+ 4938TIP3    H121123  -0.171  -3.326  -0.909
+ 4938TIP3    H221124  -0.275  -3.397  -0.992
+ 4939TIP3   OH221125   0.461  -2.808  -1.804
+ 4939TIP3    H121126   0.514  -2.781  -1.728
+ 4939TIP3    H221127   0.418  -2.725  -1.830
+ 4940TIP3   OH221128  -0.072  -2.842  -0.819
+ 4940TIP3    H121129  -0.080  -2.812  -0.910
+ 4940TIP3    H221130  -0.154  -2.806  -0.780
+ 4941TIP3   OH221131   1.044  -4.327  -2.235
+ 4941TIP3    H121132   0.997  -4.320  -2.150
+ 4941TIP3    H221133   1.118  -4.266  -2.219
+ 4942TIP3   OH221134  -0.133  -3.457  -1.972
+ 4942TIP3    H121135  -0.142  -3.394  -2.046
+ 4942TIP3    H221136  -0.184  -3.532  -2.002
+ 4943TIP3   OH221137   1.205  -2.881  -2.360
+ 4943TIP3    H121138   1.221  -2.788  -2.337
+ 4943TIP3    H221139   1.291  -2.922  -2.339
+ 4944TIP3   OH221140  -0.505  -3.193  -1.110
+ 4944TIP3    H121141  -0.559  -3.198  -1.191
+ 4944TIP3    H221142  -0.499  -3.286  -1.082
+ 4945TIP3   OH221143  -0.508  -2.900  -1.418
+ 4945TIP3    H121144  -0.417  -2.928  -1.399
+ 4945TIP3    H221145  -0.525  -2.842  -1.342
+ 4946TIP3   OH221146   1.329  -2.841  -0.831
+ 4946TIP3    H121147   1.317  -2.935  -0.852
+ 4946TIP3    H221148   1.237  -2.817  -0.804
+ 4947TIP3   OH221149   0.394  -2.920  -0.955
+ 4947TIP3    H121150   0.402  -2.837  -0.903
+ 4947TIP3    H221151   0.304  -2.949  -0.931
+ 4948TIP3   OH221152   0.422  -2.539  -1.959
+ 4948TIP3    H121153   0.426  -2.524  -2.055
+ 4948TIP3    H221154   0.424  -2.448  -1.923
+ 4949TIP3   OH221155  -0.199  -2.632  -1.797
+ 4949TIP3    H121156  -0.178  -2.667  -1.708
+ 4949TIP3    H221157  -0.289  -2.666  -1.809
+ 4950TIP3   OH221158   0.751  -2.597  -2.240
+ 4950TIP3    H121159   0.810  -2.661  -2.283
+ 4950TIP3    H221160   0.747  -2.633  -2.148
+ 4951TIP3   OH221161   0.691  -2.655  -1.961
+ 4951TIP3    H121162   0.596  -2.639  -1.941
+ 4951TIP3    H221163   0.710  -2.723  -1.894
+ 4952TIP3   OH221164   1.009  -3.707  -0.795
+ 4952TIP3    H121165   0.955  -3.666  -0.864
+ 4952TIP3    H221166   1.013  -3.799  -0.826
+ 4953TIP3   OH221167  -0.299  -3.030  -0.969
+ 4953TIP3    H121168  -0.270  -3.075  -0.887
+ 4953TIP3    H221169  -0.371  -3.085  -1.002
+ 4954TIP3   OH221170   0.026  -4.219  -1.390
+ 4954TIP3    H121171  -0.058  -4.243  -1.430
+ 4954TIP3    H221172   0.003  -4.136  -1.346
+ 4955TIP3   OH221173   0.482  -4.267  -1.033
+ 4955TIP3    H121174   0.499  -4.306  -0.946
+ 4955TIP3    H221175   0.386  -4.275  -1.039
+ 4956TIP3   OH221176   0.781  -3.864  -0.986
+ 4956TIP3    H121177   0.719  -3.873  -0.912
+ 4956TIP3    H221178   0.772  -3.771  -1.012
+ 4957TIP3   OH221179   0.877  -3.362  -2.362
+ 4957TIP3    H121180   0.858  -3.380  -2.456
+ 4957TIP3    H221181   0.971  -3.337  -2.366
+ 4958TIP3   OH221182   0.441  -3.994  -2.315
+ 4958TIP3    H121183   0.386  -4.002  -2.236
+ 4958TIP3    H221184   0.393  -4.056  -2.375
+ 4959TIP3   OH221185   0.004  -3.715  -1.264
+ 4959TIP3    H121186  -0.047  -3.703  -1.183
+ 4959TIP3    H221187   0.016  -3.624  -1.296
+ 4960TIP3   OH221188   0.001  -3.705  -1.774
+ 4960TIP3    H121189  -0.093  -3.723  -1.792
+ 4960TIP3    H221190   0.040  -3.728  -1.861
+ 4961TIP3   OH221191   0.569  -3.666  -1.875
+ 4961TIP3    H121192   0.535  -3.576  -1.886
+ 4961TIP3    H221193   0.640  -3.669  -1.941
+ 4962TIP3   OH221194   0.482  -3.632  -0.760
+ 4962TIP3    H121195   0.433  -3.708  -0.722
+ 4962TIP3    H221196   0.571  -3.643  -0.720
+ 4963TIP3   OH221197  -0.255  -3.698  -1.082
+ 4963TIP3    H121198  -0.227  -3.666  -0.995
+ 4963TIP3    H221199  -0.293  -3.785  -1.059
+ 4964TIP3   OH221200   0.080  -3.937  -2.420
+ 4964TIP3    H121201   0.047  -3.979  -2.338
+ 4964TIP3    H221202   0.002  -3.931  -2.475
+ 4965TIP3   OH221203  -0.571  -3.951  -1.718
+ 4965TIP3    H121204  -0.517  -3.954  -1.637
+ 4965TIP3    H221205  -0.518  -3.997  -1.783
+ 4966TIP3   OH221206  -0.414  -3.911  -2.143
+ 4966TIP3    H121207  -0.360  -3.861  -2.207
+ 4966TIP3    H221208  -0.486  -3.847  -2.125
+ 4967TIP3   OH221209   0.570  -3.557  -1.121
+ 4967TIP3    H121210   0.582  -3.561  -1.218
+ 4967TIP3    H221211   0.515  -3.634  -1.102
+ 4968TIP3   OH221212   0.274  -3.965  -1.684
+ 4968TIP3    H121213   0.183  -3.958  -1.651
+ 4968TIP3    H221214   0.325  -3.953  -1.602
+ 4969TIP3   OH221215  -0.260  -3.825  -1.807
+ 4969TIP3    H121216  -0.344  -3.801  -1.850
+ 4969TIP3    H221217  -0.235  -3.909  -1.850
+ 4970TIP3   OH221218   0.101  -3.787  -2.032
+ 4970TIP3    H121219   0.199  -3.786  -2.027
+ 4970TIP3    H221220   0.082  -3.732  -2.109
+ 4971TIP3   OH221221   0.716  -4.043  -1.374
+ 4971TIP3    H121222   0.656  -4.036  -1.296
+ 4971TIP3    H221223   0.652  -4.070  -1.441
+ 4972TIP3   OH221224  -0.055  -3.665  -2.258
+ 4972TIP3    H121225  -0.111  -3.697  -2.330
+ 4972TIP3    H221226   0.028  -3.647  -2.306
+ 4973TIP3   OH221227   1.012  -2.458  -0.706
+ 4973TIP3    H121228   1.036  -2.413  -0.789
+ 4973TIP3    H221229   1.081  -2.421  -0.647
+ 4974TIP3   OH221230  -0.188  -3.196  -0.760
+ 4974TIP3    H121231  -0.121  -3.186  -0.689
+ 4974TIP3    H221232  -0.269  -3.201  -0.705
+ 4975TIP3   OH221233   0.377  -3.730  -1.518
+ 4975TIP3    H121234   0.468  -3.731  -1.546
+ 4975TIP3    H221235   0.383  -3.757  -1.425
+ 4976TIP3   OH221236  -0.105  -4.066  -1.865
+ 4976TIP3    H121237  -0.149  -4.152  -1.855
+ 4976TIP3    H221238  -0.020  -4.092  -1.905
+ 4977TIP3   OH221239   0.275  -3.853  -1.258
+ 4977TIP3    H121240   0.206  -3.786  -1.266
+ 4977TIP3    H221241   0.329  -3.821  -1.183
+ 4978TIP3   OH221242   0.293  -3.205  -2.079
+ 4978TIP3    H121243   0.219  -3.261  -2.111
+ 4978TIP3    H221244   0.278  -3.205  -1.982
+ 4979TIP3   OH221245   0.992  -3.301  -1.221
+ 4979TIP3    H121246   1.046  -3.246  -1.282
+ 4979TIP3    H221247   0.907  -3.303  -1.267
+ 4980TIP3   OH221248   0.710  -3.930  -2.312
+ 4980TIP3    H121249   0.612  -3.939  -2.307
+ 4980TIP3    H221250   0.729  -3.864  -2.243
+ 4981TIP3   OH221251   0.452  -3.208  -0.946
+ 4981TIP3    H121252   0.429  -3.240  -0.857
+ 4981TIP3    H221253   0.427  -3.115  -0.942
+ 4982TIP3   OH221254   0.772  -3.750  -2.099
+ 4982TIP3    H121255   0.857  -3.763  -2.051
+ 4982TIP3    H221256   0.780  -3.658  -2.131
+ 4983TIP3   OH221257  -0.196  -3.275  -1.498
+ 4983TIP3    H121258  -0.121  -3.293  -1.556
+ 4983TIP3    H221259  -0.193  -3.352  -1.439
+ 4984TIP3   OH221260   0.532  -3.073  -2.189
+ 4984TIP3    H121261   0.510  -2.988  -2.146
+ 4984TIP3    H221262   0.459  -3.129  -2.157
+ 4985TIP3   OH221263  -0.465  -3.445  -0.968
+ 4985TIP3    H121264  -0.450  -3.486  -0.881
+ 4985TIP3    H221265  -0.529  -3.505  -1.010
+ 4986TIP3   OH221266   0.231  -3.494  -0.769
+ 4986TIP3    H121267   0.199  -3.516  -0.858
+ 4986TIP3    H221268   0.324  -3.520  -0.776
+ 4987TIP3   OH221269   0.689  -2.936  -0.994
+ 4987TIP3    H121270   0.592  -2.941  -1.004
+ 4987TIP3    H221271   0.699  -2.921  -0.899
+ 4988TIP3   OH221272   1.239  -3.747  -2.120
+ 4988TIP3    H121273   1.179  -3.764  -2.195
+ 4988TIP3    H221274   1.249  -3.651  -2.130
+ 4989TIP3   OH221275   1.282  -3.141  -0.839
+ 4989TIP3    H121276   1.188  -3.120  -0.859
+ 4989TIP3    H221277   1.316  -3.158  -0.929
+ 4990TIP3   OH221278   1.053  -2.884  -2.112
+ 4990TIP3    H121279   1.033  -2.958  -2.053
+ 4990TIP3    H221280   1.112  -2.922  -2.177
+ 4991TIP3   OH221281   0.003  -2.949  -1.789
+ 4991TIP3    H121282   0.084  -2.896  -1.781
+ 4991TIP3    H221283  -0.061  -2.877  -1.778
+ 4992TIP3   OH221284  -0.359  -3.465  -2.307
+ 4992TIP3    H121285  -0.300  -3.397  -2.271
+ 4992TIP3    H221286  -0.446  -3.439  -2.272
+ 4993TIP3   OH221287   0.227  -3.173  -1.817
+ 4993TIP3    H121288   0.211  -3.083  -1.787
+ 4993TIP3    H221289   0.178  -3.227  -1.754
+ 4994TIP3   OH221290   0.246  -2.748  -1.172
+ 4994TIP3    H121291   0.301  -2.671  -1.196
+ 4994TIP3    H221292   0.306  -2.796  -1.113
+ 4995TIP3   OH221293   0.089  -2.652  -1.848
+ 4995TIP3    H121294  -0.006  -2.633  -1.837
+ 4995TIP3    H221295   0.128  -2.566  -1.821
+ 4996TIP3   OH221296   0.604  -3.161  -1.199
+ 4996TIP3    H121297   0.559  -3.199  -1.121
+ 4996TIP3    H221298   0.632  -3.242  -1.246
+ 4997TIP3   OH221299   0.800  -3.042  -2.321
+ 4997TIP3    H121300   0.845  -3.086  -2.247
+ 4997TIP3    H221301   0.708  -3.056  -2.294
+ 4998TIP3   OH221302   0.883  -2.715  -0.971
+ 4998TIP3    H121303   0.806  -2.761  -1.010
+ 4998TIP3    H221304   0.890  -2.635  -1.028
+ 4999TIP3   OH221305   1.280  -2.613  -2.272
+ 4999TIP3    H121306   1.350  -2.547  -2.287
+ 4999TIP3    H221307   1.203  -2.553  -2.270
+ 5000TIP3   OH221308  -0.334  -3.962  -1.008
+ 5000TIP3    H121309  -0.425  -3.943  -1.038
+ 5000TIP3    H221310  -0.350  -4.048  -0.963
+ 5001TIP3   OH221311   0.899  -3.180  -2.085
+ 5001TIP3    H121312   0.873  -3.253  -2.025
+ 5001TIP3    H221313   0.996  -3.180  -2.073
+ 5002TIP3   OH221314  -0.351  -2.804  -1.165
+ 5002TIP3    H121315  -0.326  -2.894  -1.138
+ 5002TIP3    H221316  -0.355  -2.762  -1.078
+ 5003TIP3   OH221317   0.224  -2.937  -2.464
+ 5003TIP3    H121318   0.257  -3.014  -2.513
+ 5003TIP3    H221319   0.187  -2.978  -2.385
+ 5004TIP3   OH221320   0.106  -2.989  -2.180
+ 5004TIP3    H121321   0.173  -3.039  -2.129
+ 5004TIP3    H221322   0.127  -2.896  -2.156
+ 5005TIP3   OH221323  -0.190  -3.229  -2.129
+ 5005TIP3    H121324  -0.280  -3.197  -2.111
+ 5005TIP3    H221325  -0.155  -3.159  -2.187
+ 5006TIP3   OH221326   0.555  -4.008  -1.141
+ 5006TIP3    H121327   0.619  -3.978  -1.075
+ 5006TIP3    H221328   0.523  -4.093  -1.105
+ 5007TIP3   OH221329   0.644  -4.050  -2.014
+ 5007TIP3    H121330   0.649  -3.988  -2.088
+ 5007TIP3    H221331   0.677  -3.995  -1.940
+ 5008TIP3   OH221332   0.401  -2.826  -2.130
+ 5008TIP3    H121333   0.325  -2.769  -2.108
+ 5008TIP3    H221334   0.444  -2.774  -2.199
+ 5009TIP3   OH221335   0.370  -3.848  -1.926
+ 5009TIP3    H121336   0.447  -3.789  -1.908
+ 5009TIP3    H221337   0.341  -3.868  -1.835
+ 5010TIP3   OH221338   0.399  -3.762  -1.012
+ 5010TIP3    H121339   0.411  -3.707  -0.932
+ 5010TIP3    H221340   0.459  -3.836  -0.994
+ 5011TIP3   OH221341   0.437  -4.170  -1.825
+ 5011TIP3    H121342   0.407  -4.094  -1.772
+ 5011TIP3    H221343   0.499  -4.128  -1.887
+ 5012TIP3   OH221344   0.123  -2.715  -2.129
+ 5012TIP3    H121345   0.119  -2.633  -2.183
+ 5012TIP3    H221346   0.112  -2.680  -2.039
+ 5013TIP3   OH221347  -0.004  -4.052  -2.176
+ 5013TIP3    H121348  -0.004  -3.970  -2.124
+ 5013TIP3    H221349   0.086  -4.084  -2.155
+ 5014TIP3   OH221350   1.040  -3.965  -0.932
+ 5014TIP3    H121351   0.944  -3.951  -0.941
+ 5014TIP3    H221352   1.060  -3.985  -1.025
+ 5015TIP3   OH221353   0.885  -3.587  -1.547
+ 5015TIP3    H121354   0.794  -3.566  -1.522
+ 5015TIP3    H221355   0.917  -3.645  -1.475
+ 5016TIP3   OH221356  -0.163  -2.966  -2.274
+ 5016TIP3    H121357  -0.093  -2.911  -2.235
+ 5016TIP3    H221358  -0.112  -3.008  -2.344
+ 5017TIP3   OH221359  -0.347  -3.745  -2.364
+ 5017TIP3    H121360  -0.336  -3.651  -2.341
+ 5017TIP3    H221361  -0.434  -3.745  -2.406
+ 5018TIP3   OH221362   0.984  -2.690  -1.386
+ 5018TIP3    H121363   0.967  -2.606  -1.433
+ 5018TIP3    H221364   1.076  -2.675  -1.358
+ 5019TIP3   OH221365  -0.338  -4.243  -1.469
+ 5019TIP3    H121366  -0.293  -4.243  -1.555
+ 5019TIP3    H221367  -0.313  -4.332  -1.439
+ 5020TIP3   OH221368  -0.355  -2.897  -1.863
+ 5020TIP3    H121369  -0.428  -2.852  -1.817
+ 5020TIP3    H221370  -0.330  -2.829  -1.928
+ 5021TIP3   OH221371   0.068  -2.683  -0.563
+ 5021TIP3    H121372   0.111  -2.768  -0.549
+ 5021TIP3    H221373   0.002  -2.704  -0.631
+ 5022TIP3   OH221374   0.449  -2.765  -2.416
+ 5022TIP3    H121375   0.375  -2.829  -2.423
+ 5022TIP3    H221376   0.522  -2.819  -2.450
+ 5023TIP3   OH221377   0.690  -2.863  -0.704
+ 5023TIP3    H121378   0.650  -2.945  -0.669
+ 5023TIP3    H221379   0.759  -2.844  -0.639
+ 5024TIP3   OH221380   0.911  -2.776  -2.404
+ 5024TIP3    H121381   0.928  -2.855  -2.349
+ 5024TIP3    H221382   0.991  -2.771  -2.458
+ 5025TIP3   OH221383  -0.429  -3.239  -0.635
+ 5025TIP3    H121384  -0.425  -3.328  -0.673
+ 5025TIP3    H221385  -0.508  -3.204  -0.681
+ 5026TIP3   OH221386  -0.010  -3.195  -2.426
+ 5026TIP3    H121387   0.012  -3.255  -2.353
+ 5026TIP3    H221388   0.074  -3.194  -2.475
+ 5027TIP3   OH221389   0.234  -3.216  -0.696
+ 5027TIP3    H121390   0.205  -3.182  -0.782
+ 5027TIP3    H221391   0.241  -3.312  -0.711
+ 5028TIP3   OH221392   0.510  -3.061  -2.469
+ 5028TIP3    H121393   0.512  -3.065  -2.371
+ 5028TIP3    H221394   0.510  -3.157  -2.489
+ 5029TIP3   OH221395   0.771  -3.251  -0.946
+ 5029TIP3    H121396   0.847  -3.202  -0.979
+ 5029TIP3    H221397   0.698  -3.190  -0.965
+ 5030TIP3   OH221398  -0.345  -3.526  -0.715
+ 5030TIP3    H121399  -0.269  -3.586  -0.711
+ 5030TIP3    H221400  -0.349  -3.496  -0.623
+ 5031TIP3   OH221401   0.097  -3.384  -2.197
+ 5031TIP3    H121402   0.048  -3.443  -2.138
+ 5031TIP3    H221403   0.133  -3.449  -2.261
+ 5032TIP3   OH221404   0.020  -3.610  -0.975
+ 5032TIP3    H121405  -0.032  -3.531  -0.951
+ 5032TIP3    H221406   0.090  -3.572  -1.031
+ 5033TIP3   OH221407   0.196  -3.581  -2.368
+ 5033TIP3    H121408   0.192  -3.577  -2.465
+ 5033TIP3    H221409   0.292  -3.589  -2.353
+ 5034TIP3   OH221410   0.552  -3.338  -0.613
+ 5034TIP3    H121411   0.641  -3.357  -0.647
+ 5034TIP3    H221412   0.527  -3.422  -0.574
+ 5035TIP3   OH221413   1.147  -3.332  -2.438
+ 5035TIP3    H121414   1.135  -3.373  -2.525
+ 5035TIP3    H221415   1.136  -3.237  -2.461
+ 5036TIP3   OH221416   0.080  -3.879  -0.859
+ 5036TIP3    H121417   0.091  -3.943  -0.932
+ 5036TIP3    H221418   0.061  -3.797  -0.908
+ 5037TIP3   OH221419   0.119  -4.040  -1.118
+ 5037TIP3    H121420   0.173  -3.981  -1.176
+ 5037TIP3    H221421   0.028  -4.025  -1.152
+ 5038TIP3   OH221422   0.264  -3.491  -1.075
+ 5038TIP3    H121423   0.356  -3.495  -1.107
+ 5038TIP3    H221424   0.238  -3.401  -1.103
+ 5039TIP3   OH221425   0.726  -3.693  -0.595
+ 5039TIP3    H121426   0.746  -3.786  -0.573
+ 5039TIP3    H221427   0.814  -3.654  -0.599
+ 5040TIP3   OH221428   0.826  -3.416  -0.740
+ 5040TIP3    H121429   0.789  -3.355  -0.807
+ 5040TIP3    H221430   0.912  -3.434  -0.781
+ 5041TIP3   OH221431  -0.097  -3.696  -0.674
+ 5041TIP3    H121432  -0.149  -3.778  -0.674
+ 5041TIP3    H221433  -0.016  -3.724  -0.719
+ 5042TIP3   OH221434   0.165  -4.279  -0.997
+ 5042TIP3    H121435   0.181  -4.188  -1.031
+ 5042TIP3    H221436   0.071  -4.285  -1.016
+ 5043TIP3   OH221437   0.317  -3.848  -0.696
+ 5043TIP3    H121438   0.282  -3.871  -0.608
+ 5043TIP3    H221439   0.236  -3.864  -0.749
+ 5044TIP3   OH221440   0.572  -3.947  -0.803
+ 5044TIP3    H121441   0.484  -3.930  -0.765
+ 5044TIP3    H221442   0.610  -4.009  -0.738
+ 5045TIP3   OH221443   0.749  -4.137  -0.630
+ 5045TIP3    H121444   0.730  -4.223  -0.590
+ 5045TIP3    H221445   0.731  -4.076  -0.557
+ 5046TIP3   OH221446  -0.216  -3.963  -0.686
+ 5046TIP3    H121447  -0.245  -4.021  -0.759
+ 5046TIP3    H221448  -0.266  -3.997  -0.611
+ 5047TIP3   OH221449   0.276  -4.147  -0.583
+ 5047TIP3    H121450   0.254  -4.227  -0.635
+ 5047TIP3    H221451   0.193  -4.096  -0.586
+ 5048TIP3   OH221452   0.172  -2.463  -2.263
+ 5048TIP3    H121453   0.266  -2.448  -2.246
+ 5048TIP3    H221454   0.161  -2.412  -2.344
+ 5049TIP3   OH221455  -0.437  -3.025  -2.301
+ 5049TIP3    H121456  -0.342  -3.000  -2.295
+ 5049TIP3    H221457  -0.435  -3.097  -2.367
+ 5050TIP3   OH221458  -0.592  -2.463  -1.782
+ 5050TIP3    H121459  -0.633  -2.509  -1.857
+ 5050TIP3    H221460  -0.560  -2.537  -1.728
+ 5051TIP3   OH221461  -0.491  -2.703  -1.640
+ 5051TIP3    H121462  -0.526  -2.785  -1.602
+ 5051TIP3    H221463  -0.458  -2.662  -1.558
+ 5052TIP3   OH221464   1.256  -2.575  -1.335
+ 5052TIP3    H121465   1.268  -2.572  -1.239
+ 5052TIP3    H221466   1.342  -2.542  -1.365
+ 5053TIP3   OH221467   1.245  -2.628  -1.048
+ 5053TIP3    H121468   1.193  -2.703  -1.081
+ 5053TIP3    H221469   1.301  -2.671  -0.982
+ 5054TIP3   OH221470   1.047  -3.084  -0.615
+ 5054TIP3    H121471   0.958  -3.076  -0.578
+ 5054TIP3    H221472   1.090  -3.002  -0.586
+ 5055TIP3   OH221473   1.186  -3.195  -2.045
+ 5055TIP3    H121474   1.276  -3.163  -2.026
+ 5055TIP3    H221475   1.175  -3.258  -1.971
+ 5056TIP3   OH221476   1.231  -3.400  -1.848
+ 5056TIP3    H121477   1.164  -3.456  -1.804
+ 5056TIP3    H221478   1.298  -3.387  -1.778
+ 5057TIP3   OH221479   1.202  -3.151  -1.342
+ 5057TIP3    H121480   1.262  -3.199  -1.401
+ 5057TIP3    H221481   1.212  -3.060  -1.374
+ 5058TIP3   OH221482   1.074  -2.859  -1.123
+ 5058TIP3    H121483   1.002  -2.818  -1.073
+ 5058TIP3    H221484   1.027  -2.893  -1.202
+ 5059TIP3   OH221485   1.260  -3.454  -2.190
+ 5059TIP3    H121486   1.206  -3.424  -2.266
+ 5059TIP3    H221487   1.243  -3.382  -2.127
+ 5060TIP3   OH221488   1.083  -3.698  -2.363
+ 5060TIP3    H121489   1.111  -3.638  -2.434
+ 5060TIP3    H221490   1.059  -3.779  -2.412
+ 5061TIP3   OH221491   1.037  -3.590  -1.765
+ 5061TIP3    H121492   1.018  -3.683  -1.782
+ 5061TIP3    H221493   0.991  -3.578  -1.678
+ 5062TIP3   OH221494  -0.491  -3.365  -1.395
+ 5062TIP3    H121495  -0.461  -3.358  -1.487
+ 5062TIP3    H221496  -0.407  -3.385  -1.349
+ 5063TIP3   OH221497   1.086  -3.394  -0.852
+ 5063TIP3    H121498   1.161  -3.454  -0.833
+ 5063TIP3    H221499   1.130  -3.310  -0.871
+ 5064TIP3   OH221500   1.241  -3.583  -0.728
+ 5064TIP3    H121501   1.161  -3.635  -0.752
+ 5064TIP3    H221502   1.310  -3.653  -0.730
+ 5065TIP3   OH221503   1.027  -3.970  -2.447
+ 5065TIP3    H121504   1.085  -4.012  -2.381
+ 5065TIP3    H221505   0.943  -4.017  -2.436
+ 5066TIP3   OH221506   1.005  -3.826  -1.948
+ 5066TIP3    H121507   1.021  -3.923  -1.940
+ 5066TIP3    H221508   1.089  -3.796  -1.985
+ 5067TIP3   OH221509   1.032  -3.783  -1.406
+ 5067TIP3    H121510   1.128  -3.766  -1.408
+ 5067TIP3    H221511   1.015  -3.774  -1.311
+ 5068TIP3   OH221512   1.050  -3.707  -1.122
+ 5068TIP3    H121513   0.966  -3.666  -1.093
+ 5068TIP3    H221514   1.103  -3.628  -1.143
+ 5069TIP3   OH221515  -0.507  -3.836  -0.743
+ 5069TIP3    H121516  -0.414  -3.857  -0.760
+ 5069TIP3    H221517  -0.548  -3.924  -0.744
+ 5070TIP3   OH221518   1.269  -4.275  -0.543
+ 5070TIP3    H121519   1.309  -4.359  -0.569
+ 5070TIP3    H221520   1.266  -4.219  -0.623
+ 5071TIP3   OH221521   1.042  -4.099  -1.940
+ 5071TIP3    H121522   1.058  -4.145  -1.856
+ 5071TIP3    H221523   0.975  -4.157  -1.981
+ 5072TIP3   OH221524  -0.430  -3.990  -1.477
+ 5072TIP3    H121525  -0.400  -4.082  -1.464
+ 5072TIP3    H221526  -0.356  -3.940  -1.437
+ 5073TIP3   OH221527  -0.570  -3.729  -1.373
+ 5073TIP3    H121528  -0.508  -3.730  -1.448
+ 5073TIP3    H221529  -0.535  -3.656  -1.320
+ 5074TIP3   OH221530   1.243  -4.113  -0.759
+ 5074TIP3    H121531   1.159  -4.064  -0.751
+ 5074TIP3    H221532   1.233  -4.146  -0.850
+ 5075TIP3   OH221533   1.250  -4.059  -2.279
+ 5075TIP3    H121534   1.271  -4.144  -2.322
+ 5075TIP3    H221535   1.336  -4.015  -2.274
+ 5076TIP3   OH221536  -0.516  -4.104  -1.966
+ 5076TIP3    H121537  -0.611  -4.094  -1.985
+ 5076TIP3    H221538  -0.476  -4.034  -2.023
+ 5077TIP3   OH221539   0.942  -2.565  -1.756
+ 5077TIP3    H121540   0.994  -2.593  -1.834
+ 5077TIP3    H221541   1.011  -2.531  -1.698
+ 5078TIP3   OH221542  -0.541  -4.127  -1.112
+ 5078TIP3    H121543  -0.534  -4.221  -1.087
+ 5078TIP3    H221544  -0.559  -4.135  -1.207
+ 5079TIP3   OH221545  -0.030  -2.802  -1.117
+ 5079TIP3    H121546  -0.065  -2.715  -1.143
+ 5079TIP3    H221547   0.066  -2.786  -1.130
+ 5080TIP3   OH221548   0.421  -2.671  -0.814
+ 5080TIP3    H121549   0.432  -2.682  -0.719
+ 5080TIP3    H221550   0.503  -2.622  -0.839
+ 5081TIP3   OH221551   0.649  -2.524  -0.881
+ 5081TIP3    H121552   0.720  -2.585  -0.905
+ 5081TIP3    H221553   0.679  -2.490  -0.795
+ 5082TIP3   OH221554   1.106  -4.278  -0.968
+ 5082TIP3    H121555   1.057  -4.213  -1.022
+ 5082TIP3    H221556   1.127  -4.344  -1.036
+ 5083TIP3   OH221557  -0.305  -2.491  -1.092
+ 5083TIP3    H121558  -0.373  -2.428  -1.119
+ 5083TIP3    H221559  -0.324  -2.497  -0.997
+ 5084TIP3   OH221560  -0.051  -2.528  -1.228
+ 5084TIP3    H121561  -0.134  -2.506  -1.183
+ 5084TIP3    H221562  -0.043  -2.454  -1.292
+ 5085TIP3   OH221563   0.430  -2.526  -1.270
+ 5085TIP3    H121564   0.393  -2.477  -1.346
+ 5085TIP3    H221565   0.439  -2.454  -1.204
+ 5086TIP3   OH221566   0.665  -2.651  -1.178
+ 5086TIP3    H121567   0.579  -2.616  -1.209
+ 5086TIP3    H221568   0.720  -2.572  -1.177
+ 5087TIP3   OH221569   0.918  -2.483  -1.155
+ 5087TIP3    H121570   0.916  -2.387  -1.173
+ 5087TIP3    H221571   0.946  -2.516  -1.242
+ 5088TIP3   OH221572  -0.340  -2.628  -1.389
+ 5088TIP3    H121573  -0.343  -2.669  -1.300
+ 5088TIP3    H221574  -0.256  -2.663  -1.421
+ 5089TIP3   OH221575  -0.128  -2.755  -1.555
+ 5089TIP3    H121576  -0.148  -2.841  -1.512
+ 5089TIP3    H221577  -0.043  -2.731  -1.513
+ 5090TIP3   OH221578   0.138  -2.705  -1.453
+ 5090TIP3    H121579   0.162  -2.798  -1.470
+ 5090TIP3    H221580   0.148  -2.701  -1.357
+ 5091TIP3   OH221581   0.477  -4.115  -1.521
+ 5091TIP3    H121582   0.410  -4.182  -1.499
+ 5091TIP3    H221583   0.532  -4.161  -1.585
+ 5092TIP3   OH221584   0.997  -4.340  -1.488
+ 5092TIP3    H121585   1.059  -4.288  -1.541
+ 5092TIP3    H221586   0.912  -4.298  -1.508
+ 5093TIP3   OH221587   1.202  -4.228  -1.695
+ 5093TIP3    H121588   1.247  -4.242  -1.779
+ 5093TIP3    H221589   1.211  -4.132  -1.682
+ 5094TIP3   OH221590  -0.292  -4.285  -1.798
+ 5094TIP3    H121591  -0.385  -4.306  -1.812
+ 5094TIP3    H221592  -0.260  -4.364  -1.754
+ 5095TIP3   OH221593  -0.434  -4.291  -2.169
+ 5095TIP3    H121594  -0.388  -4.242  -2.240
+ 5095TIP3    H221595  -0.471  -4.218  -2.116
+ 5096TIP3   OH221596   0.162  -4.257  -1.786
+ 5096TIP3    H121597   0.254  -4.224  -1.783
+ 5096TIP3    H221598   0.148  -4.282  -1.694
+ 5097TIP3   OH221599   0.705  -4.266  -1.633
+ 5097TIP3    H121600   0.745  -4.261  -1.721
+ 5097TIP3    H221601   0.704  -4.361  -1.613
+ 5098TIP3   OH221602   0.825  -4.273  -2.034
+ 5098TIP3    H121603   0.751  -4.209  -2.048
+ 5098TIP3    H221604   0.780  -4.358  -2.040
+ 5099TIP3   OH221605  -0.394  -2.696  -2.065
+ 5099TIP3    H121606  -0.461  -2.706  -2.134
+ 5099TIP3    H221607  -0.387  -2.599  -2.063
+ 5100TIP3   OH221608  -0.243  -4.125  -2.326
+ 5100TIP3    H121609  -0.172  -4.162  -2.382
+ 5100TIP3    H221610  -0.189  -4.074  -2.262
+ 5101TIP3   OH221611   0.271  -4.059  -2.091
+ 5101TIP3    H121612   0.302  -4.141  -2.048
+ 5101TIP3    H221613   0.300  -3.990  -2.028
+ 5102TIP3   OH221614   0.476  -2.513  -2.251
+ 5102TIP3    H121615   0.573  -2.512  -2.256
+ 5102TIP3    H221616   0.457  -2.579  -2.321
+ 5103TIP3   OH221617   1.128  -2.611  -1.996
+ 5103TIP3    H121618   1.104  -2.695  -2.039
+ 5103TIP3    H221619   1.122  -2.549  -2.070
+ 5104TIP3   OH221620  -0.331  -4.178  -0.845
+ 5104TIP3    H121621  -0.375  -4.259  -0.816
+ 5104TIP3    H221622  -0.242  -4.214  -0.858
+ 5105TIP3   OH221623  -0.038  -4.278  -0.582
+ 5105TIP3    H121624   0.049  -4.304  -0.619
+ 5105TIP3    H221625  -0.063  -4.358  -0.534
+ 5106TIP3   OH221626  -0.250  -2.606  -2.382
+ 5106TIP3    H121627  -0.267  -2.573  -2.293
+ 5106TIP3    H221628  -0.167  -2.656  -2.371
+ 5107TIP3   OH221629   1.074  -2.736  -0.752
+ 5107TIP3    H121630   1.002  -2.752  -0.816
+ 5107TIP3    H221631   1.061  -2.641  -0.736
+ 5108TIP3   OH221632   2.497  -3.368  -1.744
+ 5108TIP3    H121633   2.496  -3.272  -1.727
+ 5108TIP3    H221634   2.418  -3.378  -1.798
+ 5109TIP3   OH221635   2.384  -3.424  -1.436
+ 5109TIP3    H121636   2.380  -3.476  -1.355
+ 5109TIP3    H221637   2.352  -3.487  -1.502
+ 5110TIP3   OH221638   1.632  -3.465  -1.269
+ 5110TIP3    H121639   1.628  -3.539  -1.205
+ 5110TIP3    H221640   1.699  -3.408  -1.228
+ 5111TIP3   OH221641   2.753  -3.144  -1.598
+ 5111TIP3    H121642   2.715  -3.211  -1.540
+ 5111TIP3    H221643   2.781  -3.077  -1.533
+ 5112TIP3   OH221644   1.696  -2.999  -1.419
+ 5112TIP3    H121645   1.671  -3.091  -1.442
+ 5112TIP3    H221646   1.788  -3.012  -1.394
+ 5113TIP3   OH221647   1.395  -3.661  -1.881
+ 5113TIP3    H121648   1.356  -3.574  -1.867
+ 5113TIP3    H221649   1.320  -3.710  -1.915
+ 5114TIP3   OH221650   1.476  -3.413  -1.694
+ 5114TIP3    H121651   1.489  -3.496  -1.644
+ 5114TIP3    H221652   1.560  -3.404  -1.740
+ 5115TIP3   OH221653   2.451  -2.616  -1.548
+ 5115TIP3    H121654   2.513  -2.685  -1.577
+ 5115TIP3    H221655   2.428  -2.645  -1.459
+ 5116TIP3   OH221656   2.231  -3.172  -1.379
+ 5116TIP3    H121657   2.265  -3.244  -1.435
+ 5116TIP3    H221658   2.311  -3.155  -1.326
+ 5117TIP3   OH221659   3.087  -4.018  -1.324
+ 5117TIP3    H121660   3.116  -3.978  -1.241
+ 5117TIP3    H221661   3.153  -3.981  -1.385
+ 5118TIP3   OH221662   2.561  -3.740  -1.326
+ 5118TIP3    H121663   2.578  -3.836  -1.325
+ 5118TIP3    H221664   2.550  -3.724  -1.421
+ 5119TIP3   OH221665   1.857  -3.942  -1.617
+ 5119TIP3    H121666   1.872  -3.856  -1.661
+ 5119TIP3    H221667   1.822  -3.993  -1.692
+ 5120TIP3   OH221668   2.645  -3.926  -1.786
+ 5120TIP3    H121669   2.706  -3.963  -1.719
+ 5120TIP3    H221670   2.707  -3.874  -1.841
+ 5121TIP3   OH221671   1.528  -3.661  -1.570
+ 5121TIP3    H121672   1.586  -3.711  -1.510
+ 5121TIP3    H221673   1.534  -3.713  -1.652
+ 5122TIP3   OH221674   2.066  -3.525  -1.625
+ 5122TIP3    H121675   2.135  -3.580  -1.583
+ 5122TIP3    H221676   2.013  -3.592  -1.672
+ 5123TIP3   OH221677   3.180  -3.847  -1.058
+ 5123TIP3    H121678   3.103  -3.796  -1.089
+ 5123TIP3    H221679   3.145  -3.888  -0.978
+ 5124TIP3   OH221680   1.737  -4.056  -1.201
+ 5124TIP3    H121681   1.703  -4.000  -1.273
+ 5124TIP3    H221682   1.669  -4.037  -1.133
+ 5125TIP3   OH221683   2.491  -3.080  -1.865
+ 5125TIP3    H121684   2.453  -3.103  -1.950
+ 5125TIP3    H221685   2.444  -2.997  -1.844
+ 5126TIP3   OH221686   2.030  -3.270  -1.192
+ 5126TIP3    H121687   1.957  -3.210  -1.165
+ 5126TIP3    H221688   2.093  -3.208  -1.233
+ 5127TIP3   OH221689   2.840  -4.018  -1.581
+ 5127TIP3    H121690   2.783  -4.059  -1.514
+ 5127TIP3    H221691   2.885  -3.950  -1.528
+ 5128TIP3   OH221692   1.698  -3.857  -1.407
+ 5128TIP3    H121693   1.760  -3.795  -1.363
+ 5128TIP3    H221694   1.755  -3.890  -1.480
+ 5129TIP3   OH221695   1.829  -3.083  -1.119
+ 5129TIP3    H121696   1.827  -2.990  -1.148
+ 5129TIP3    H221697   1.742  -3.088  -1.074
+ 5130TIP3   OH221698   1.463  -3.112  -2.030
+ 5130TIP3    H121699   1.441  -3.061  -2.110
+ 5130TIP3    H221700   1.479  -3.042  -1.963
+ 5131TIP3   OH221701   2.818  -2.936  -1.373
+ 5131TIP3    H121702   2.722  -2.918  -1.363
+ 5131TIP3    H221703   2.855  -2.850  -1.397
+ 5132TIP3   OH221704   2.849  -4.111  -1.181
+ 5132TIP3    H121705   2.768  -4.077  -1.222
+ 5132TIP3    H221706   2.915  -4.095  -1.251
+ 5133TIP3   OH221707   2.159   4.381  -1.480
+ 5133TIP3    H121708   2.155   4.286  -1.467
+ 5133TIP3    H221709   2.072   4.413  -1.447
+ 5134TIP3   OH221710   2.637  -2.773  -1.698
+ 5134TIP3    H121711   2.687  -2.852  -1.726
+ 5134TIP3    H221712   2.704  -2.703  -1.705
+ 5135TIP3   OH221713   2.787  -2.992  -1.839
+ 5135TIP3    H121714   2.723  -3.035  -1.898
+ 5135TIP3    H221715   2.781  -3.049  -1.760
+ 5136TIP3   OH221716   2.935  -3.113  -0.981
+ 5136TIP3    H121717   2.925  -3.170  -1.059
+ 5136TIP3    H221718   2.941  -3.024  -1.023
+ 5137TIP3   OH221719   2.361  -3.417  -2.016
+ 5137TIP3    H121720   2.294  -3.354  -2.050
+ 5137TIP3    H221721   2.432  -3.408  -2.081
+ 5138TIP3   OH221722   2.391  -3.596  -2.310
+ 5138TIP3    H121723   2.459  -3.565  -2.249
+ 5138TIP3    H221724   2.444  -3.652  -2.369
+ 5139TIP3   OH221725   3.111  -3.489  -1.193
+ 5139TIP3    H121726   3.039  -3.424  -1.183
+ 5139TIP3    H221727   3.159  -3.452  -1.270
+ 5140TIP3   OH221728   2.713  -3.416  -1.908
+ 5140TIP3    H121729   2.644  -3.392  -1.842
+ 5140TIP3    H221730   2.773  -3.469  -1.853
+ 5141TIP3   OH221731   2.697  -3.562  -1.025
+ 5141TIP3    H121732   2.703  -3.482  -0.971
+ 5141TIP3    H221733   2.632  -3.530  -1.090
+ 5142TIP3   OH221734   1.872  -3.337  -1.730
+ 5142TIP3    H121735   1.841  -3.381  -1.812
+ 5142TIP3    H221736   1.938  -3.401  -1.697
+ 5143TIP3   OH221737   2.009  -2.997  -1.457
+ 5143TIP3    H121738   1.998  -3.037  -1.544
+ 5143TIP3    H221739   2.088  -3.042  -1.423
+ 5144TIP3   OH221740   1.934  -3.459  -1.381
+ 5144TIP3    H121741   1.990  -3.451  -1.460
+ 5144TIP3    H221742   1.969  -3.389  -1.322
+ 5145TIP3   OH221743   2.531  -2.904  -1.324
+ 5145TIP3    H121744   2.526  -2.836  -1.254
+ 5145TIP3    H221745   2.508  -2.986  -1.277
+ 5146TIP3   OH221746   2.014  -3.026  -0.897
+ 5146TIP3    H121747   1.965  -2.958  -0.848
+ 5146TIP3    H221748   1.950  -3.050  -0.966
+ 5147TIP3   OH221749   2.611  -3.474  -2.162
+ 5147TIP3    H121750   2.655  -3.442  -2.080
+ 5147TIP3    H221751   2.659  -3.421  -2.230
+ 5148TIP3   OH221752   1.708  -3.387  -0.985
+ 5148TIP3    H121753   1.714  -3.327  -0.909
+ 5148TIP3    H221754   1.612  -3.398  -0.993
+ 5149TIP3   OH221755   2.354  -2.810  -1.806
+ 5149TIP3    H121756   2.400  -2.781  -1.726
+ 5149TIP3    H221757   2.304  -2.731  -1.832
+ 5150TIP3   OH221758   1.826  -2.810  -0.817
+ 5150TIP3    H121759   1.813  -2.802  -0.913
+ 5150TIP3    H221760   1.737  -2.833  -0.784
+ 5151TIP3   OH221761   2.991  -4.338  -2.163
+ 5151TIP3    H121762   2.897  -4.324  -2.143
+ 5151TIP3    H221763   3.013  -4.255  -2.207
+ 5152TIP3   OH221764   1.765  -3.464  -1.977
+ 5152TIP3    H121765   1.744  -3.387  -2.032
+ 5152TIP3    H221766   1.697  -3.527  -2.003
+ 5153TIP3   OH221767   3.091  -2.881  -2.362
+ 5153TIP3    H121768   3.107  -2.788  -2.337
+ 5153TIP3    H221769   3.177  -2.923  -2.340
+ 5154TIP3   OH221770   1.373  -3.196  -1.104
+ 5154TIP3    H121771   1.325  -3.195  -1.189
+ 5154TIP3    H221772   1.383  -3.292  -1.088
+ 5155TIP3   OH221773   1.377  -2.902  -1.413
+ 5155TIP3    H121774   1.469  -2.932  -1.405
+ 5155TIP3    H221775   1.369  -2.843  -1.337
+ 5156TIP3   OH221776   3.217  -2.846  -0.826
+ 5156TIP3    H121777   3.201  -2.939  -0.850
+ 5156TIP3    H221778   3.125  -2.818  -0.805
+ 5157TIP3   OH221779   2.279  -2.920  -0.954
+ 5157TIP3    H121780   2.288  -2.837  -0.902
+ 5157TIP3    H221781   2.189  -2.948  -0.930
+ 5158TIP3   OH221782   2.309  -2.538  -1.958
+ 5158TIP3    H121783   2.308  -2.525  -2.054
+ 5158TIP3    H221784   2.310  -2.447  -1.923
+ 5159TIP3   OH221785   1.689  -2.625  -1.795
+ 5159TIP3    H121786   1.704  -2.669  -1.709
+ 5159TIP3    H221787   1.604  -2.664  -1.821
+ 5160TIP3   OH221788   2.637  -2.597  -2.241
+ 5160TIP3    H121789   2.694  -2.664  -2.283
+ 5160TIP3    H221790   2.631  -2.631  -2.149
+ 5161TIP3   OH221791   2.577  -2.654  -1.961
+ 5161TIP3    H121792   2.482  -2.638  -1.944
+ 5161TIP3    H221793   2.595  -2.721  -1.893
+ 5162TIP3   OH221794   2.895  -3.709  -0.794
+ 5162TIP3    H121795   2.842  -3.668  -0.864
+ 5162TIP3    H221796   2.901  -3.801  -0.824
+ 5163TIP3   OH221797   1.590  -3.041  -0.981
+ 5163TIP3    H121798   1.616  -3.087  -0.898
+ 5163TIP3    H221799   1.516  -3.095  -1.013
+ 5164TIP3   OH221800   1.909  -4.219  -1.390
+ 5164TIP3    H121801   1.824  -4.236  -1.432
+ 5164TIP3    H221802   1.890  -4.136  -1.344
+ 5165TIP3   OH221803   2.365  -4.263  -1.031
+ 5165TIP3    H121804   2.385  -4.309  -0.949
+ 5165TIP3    H221805   2.270  -4.277  -1.039
+ 5166TIP3   OH221806   2.664  -3.863  -0.989
+ 5166TIP3    H121807   2.605  -3.875  -0.912
+ 5166TIP3    H221808   2.658  -3.767  -1.006
+ 5167TIP3   OH221809   2.763  -3.365  -2.363
+ 5167TIP3    H121810   2.744  -3.380  -2.457
+ 5167TIP3    H221811   2.855  -3.336  -2.367
+ 5168TIP3   OH221812   2.330  -3.996  -2.316
+ 5168TIP3    H121813   2.275  -4.004  -2.236
+ 5168TIP3    H221814   2.279  -4.054  -2.376
+ 5169TIP3   OH221815   1.895  -3.716  -1.262
+ 5169TIP3    H121816   1.835  -3.703  -1.186
+ 5169TIP3    H221817   1.903  -3.625  -1.297
+ 5170TIP3   OH221818   1.889  -3.709  -1.773
+ 5170TIP3    H121819   1.793  -3.717  -1.788
+ 5170TIP3    H221820   1.923  -3.726  -1.863
+ 5171TIP3   OH221821   2.451  -3.652  -1.898
+ 5171TIP3    H121822   2.410  -3.569  -1.928
+ 5171TIP3    H221823   2.517  -3.666  -1.967
+ 5172TIP3   OH221824   2.371  -3.633  -0.765
+ 5172TIP3    H121825   2.318  -3.706  -0.725
+ 5172TIP3    H221826   2.457  -3.644  -0.720
+ 5173TIP3   OH221827   2.536  -3.712  -1.618
+ 5173TIP3    H121828   2.507  -3.651  -1.689
+ 5173TIP3    H221829   2.552  -3.792  -1.671
+ 5174TIP3   OH221830   1.634  -3.698  -1.081
+ 5174TIP3    H121831   1.655  -3.667  -0.993
+ 5174TIP3    H221832   1.592  -3.784  -1.061
+ 5175TIP3   OH221833   1.968  -3.944  -2.422
+ 5175TIP3    H121834   1.933  -3.978  -2.338
+ 5175TIP3    H221835   1.888  -3.927  -2.473
+ 5176TIP3   OH221836   1.313  -3.954  -1.717
+ 5176TIP3    H121837   1.368  -3.955  -1.636
+ 5176TIP3    H221838   1.370  -3.995  -1.783
+ 5177TIP3   OH221839   1.471  -3.911  -2.145
+ 5177TIP3    H121840   1.525  -3.859  -2.207
+ 5177TIP3    H221841   1.400  -3.847  -2.125
+ 5178TIP3   OH221842   2.444  -3.544  -1.174
+ 5178TIP3    H121843   2.489  -3.617  -1.222
+ 5178TIP3    H221844   2.413  -3.589  -1.094
+ 5179TIP3   OH221845   2.167  -3.945  -1.676
+ 5179TIP3    H121846   2.072  -3.957  -1.655
+ 5179TIP3    H221847   2.208  -3.970  -1.591
+ 5180TIP3   OH221848   1.624  -3.826  -1.804
+ 5180TIP3    H121849   1.542  -3.797  -1.849
+ 5180TIP3    H221850   1.649  -3.908  -1.852
+ 5181TIP3   OH221851   1.987  -3.793  -2.036
+ 5181TIP3    H121852   2.083  -3.782  -2.032
+ 5181TIP3    H221853   1.959  -3.733  -2.107
+ 5182TIP3   OH221854   2.601  -4.033  -1.373
+ 5182TIP3    H121855   2.541  -4.034  -1.295
+ 5182TIP3    H221856   2.539  -4.064  -1.441
+ 5183TIP3   OH221857   1.834  -3.674  -2.259
+ 5183TIP3    H121858   1.774  -3.695  -2.332
+ 5183TIP3    H221859   1.914  -3.648  -2.307
+ 5184TIP3   OH221860   2.906  -2.457  -0.704
+ 5184TIP3    H121861   2.925  -2.414  -0.789
+ 5184TIP3    H221862   2.977  -2.424  -0.647
+ 5185TIP3   OH221863   1.696  -3.196  -0.762
+ 5185TIP3    H121864   1.764  -3.186  -0.691
+ 5185TIP3    H221865   1.616  -3.195  -0.706
+ 5186TIP3   OH221866   2.268  -3.695  -1.489
+ 5186TIP3    H121867   2.341  -3.739  -1.535
+ 5186TIP3    H221868   2.251  -3.755  -1.414
+ 5187TIP3   OH221869   1.781  -4.067  -1.868
+ 5187TIP3    H121870   1.736  -4.152  -1.854
+ 5187TIP3    H221871   1.867  -4.094  -1.902
+ 5188TIP3   OH221872   2.165  -3.848  -1.263
+ 5188TIP3    H121873   2.089  -3.788  -1.263
+ 5188TIP3    H221874   2.214  -3.821  -1.183
+ 5189TIP3   OH221875   2.180  -3.211  -2.075
+ 5189TIP3    H121876   2.103  -3.260  -2.110
+ 5189TIP3    H221877   2.159  -3.204  -1.979
+ 5190TIP3   OH221878   2.902  -3.298  -1.201
+ 5190TIP3    H121879   2.952  -3.241  -1.264
+ 5190TIP3    H221880   2.816  -3.306  -1.247
+ 5191TIP3   OH221881   2.597  -3.931  -2.314
+ 5191TIP3    H121882   2.498  -3.939  -2.311
+ 5191TIP3    H221883   2.615  -3.862  -2.246
+ 5192TIP3   OH221884   2.341  -3.210  -0.943
+ 5192TIP3    H121885   2.313  -3.239  -0.854
+ 5192TIP3    H221886   2.314  -3.116  -0.943
+ 5193TIP3   OH221887   2.662  -3.749  -2.100
+ 5193TIP3    H121888   2.748  -3.760  -2.056
+ 5193TIP3    H221889   2.668  -3.658  -2.135
+ 5194TIP3   OH221890   1.694  -3.270  -1.492
+ 5194TIP3    H121891   1.749  -3.282  -1.571
+ 5194TIP3    H221892   1.702  -3.357  -1.449
+ 5195TIP3   OH221893   2.418  -3.073  -2.184
+ 5195TIP3    H121894   2.393  -2.987  -2.145
+ 5195TIP3    H221895   2.343  -3.128  -2.155
+ 5196TIP3   OH221896   1.420  -3.444  -0.967
+ 5196TIP3    H121897   1.434  -3.489  -0.881
+ 5196TIP3    H221898   1.356  -3.503  -1.012
+ 5197TIP3   OH221899   2.116  -3.494  -0.767
+ 5197TIP3    H121900   2.081  -3.517  -0.855
+ 5197TIP3    H221901   2.210  -3.519  -0.778
+ 5198TIP3   OH221902   2.568  -2.956  -0.995
+ 5198TIP3    H121903   2.472  -2.940  -1.000
+ 5198TIP3    H221904   2.588  -2.923  -0.905
+ 5199TIP3   OH221905   3.121  -3.746  -2.118
+ 5199TIP3    H121906   3.065  -3.761  -2.198
+ 5199TIP3    H221907   3.135  -3.650  -2.130
+ 5200TIP3   OH221908   3.168  -3.144  -0.838
+ 5200TIP3    H121909   3.074  -3.121  -0.857
+ 5200TIP3    H221910   3.201  -3.158  -0.929
+ 5201TIP3   OH221911   2.935  -2.885  -2.115
+ 5201TIP3    H121912   2.918  -2.957  -2.051
+ 5201TIP3    H221913   3.000  -2.924  -2.175
+ 5202TIP3   OH221914   2.668  -3.350  -1.370
+ 5202TIP3    H121915   2.574  -3.364  -1.394
+ 5202TIP3    H221916   2.711  -3.421  -1.421
+ 5203TIP3   OH221917   1.931  -2.943  -1.771
+ 5203TIP3    H121918   1.973  -2.856  -1.779
+ 5203TIP3    H221919   1.839  -2.923  -1.788
+ 5204TIP3   OH221920   1.530  -3.463  -2.306
+ 5204TIP3    H121921   1.587  -3.394  -2.266
+ 5204TIP3    H221922   1.442  -3.437  -2.271
+ 5205TIP3   OH221923   2.114  -3.173  -1.806
+ 5205TIP3    H121924   2.084  -3.082  -1.791
+ 5205TIP3    H221925   2.043  -3.223  -1.762
+ 5206TIP3   OH221926   2.131  -2.748  -1.170
+ 5206TIP3    H121927   2.185  -2.671  -1.197
+ 5206TIP3    H221928   2.192  -2.795  -1.112
+ 5207TIP3   OH221929   1.975  -2.652  -1.847
+ 5207TIP3    H121930   1.880  -2.637  -1.836
+ 5207TIP3    H221931   2.011  -2.565  -1.821
+ 5208TIP3   OH221932   2.469  -3.175  -1.214
+ 5208TIP3    H121933   2.442  -3.197  -1.123
+ 5208TIP3    H221934   2.546  -3.232  -1.227
+ 5209TIP3   OH221935   2.688  -3.042  -2.321
+ 5209TIP3    H121936   2.730  -3.086  -2.245
+ 5209TIP3    H221937   2.595  -3.055  -2.295
+ 5210TIP3   OH221938   2.763  -2.710  -0.972
+ 5210TIP3    H121939   2.689  -2.755  -1.016
+ 5210TIP3    H221940   2.781  -2.635  -1.031
+ 5211TIP3   OH221941   3.165  -2.613  -2.274
+ 5211TIP3    H121942   3.236  -2.547  -2.281
+ 5211TIP3    H221943   3.088  -2.554  -2.265
+ 5212TIP3   OH221944   1.552  -3.961  -1.007
+ 5212TIP3    H121945   1.461  -3.942  -1.038
+ 5212TIP3    H221946   1.536  -4.048  -0.964
+ 5213TIP3   OH221947   2.783  -3.184  -2.086
+ 5213TIP3    H121948   2.757  -3.252  -2.022
+ 5213TIP3    H221949   2.880  -3.180  -2.073
+ 5214TIP3   OH221950   1.527  -2.804  -1.166
+ 5214TIP3    H121951   1.557  -2.894  -1.146
+ 5214TIP3    H221952   1.546  -2.760  -1.083
+ 5215TIP3   OH221953   2.113  -2.937  -2.464
+ 5215TIP3    H121954   2.141  -3.017  -2.511
+ 5215TIP3    H221955   2.070  -2.975  -2.385
+ 5216TIP3   OH221956   1.998  -2.985  -2.193
+ 5216TIP3    H121957   2.046  -3.036  -2.127
+ 5216TIP3    H221958   2.011  -2.893  -2.160
+ 5217TIP3   OH221959   1.681  -3.241  -2.152
+ 5217TIP3    H121960   1.607  -3.203  -2.100
+ 5217TIP3    H221961   1.727  -3.160  -2.180
+ 5218TIP3   OH221962   2.446  -4.010  -1.144
+ 5218TIP3    H121963   2.503  -3.980  -1.072
+ 5218TIP3    H221964   2.406  -4.091  -1.107
+ 5219TIP3   OH221965   2.531  -4.061  -2.027
+ 5219TIP3    H121966   2.524  -3.999  -2.101
+ 5219TIP3    H221967   2.555  -4.001  -1.954
+ 5220TIP3   OH221968   2.290  -2.825  -2.131
+ 5220TIP3    H121969   2.210  -2.774  -2.109
+ 5220TIP3    H221970   2.327  -2.773  -2.203
+ 5221TIP3   OH221971   2.258  -3.854  -1.925
+ 5221TIP3    H121972   2.328  -3.786  -1.911
+ 5221TIP3    H221973   2.225  -3.867  -1.834
+ 5222TIP3   OH221974   2.288  -3.762  -1.015
+ 5222TIP3    H121975   2.293  -3.709  -0.934
+ 5222TIP3    H221976   2.346  -3.836  -0.993
+ 5223TIP3   OH221977   2.331  -4.173  -1.822
+ 5223TIP3    H121978   2.291  -4.098  -1.774
+ 5223TIP3    H221979   2.378  -4.128  -1.893
+ 5224TIP3   OH221980   2.011  -2.715  -2.129
+ 5224TIP3    H121981   2.005  -2.633  -2.182
+ 5224TIP3    H221982   1.997  -2.681  -2.039
+ 5225TIP3   OH221983   1.880  -4.050  -2.177
+ 5225TIP3    H121984   1.882  -3.969  -2.124
+ 5225TIP3    H221985   1.968  -4.087  -2.155
+ 5226TIP3   OH221986   2.925  -3.963  -0.932
+ 5226TIP3    H121987   2.829  -3.952  -0.942
+ 5226TIP3    H221988   2.946  -3.988  -1.023
+ 5227TIP3   OH221989   2.769  -3.575  -1.525
+ 5227TIP3    H121990   2.685  -3.619  -1.548
+ 5227TIP3    H221991   2.816  -3.646  -1.476
+ 5228TIP3   OH221992   1.724  -2.960  -2.276
+ 5228TIP3    H121993   1.796  -2.910  -2.236
+ 5228TIP3    H221994   1.774  -3.010  -2.342
+ 5229TIP3   OH221995   1.539  -3.744  -2.366
+ 5229TIP3    H121996   1.550  -3.650  -2.342
+ 5229TIP3    H221997   1.451  -3.744  -2.406
+ 5230TIP3   OH221998   1.558  -4.242  -1.465
+ 5230TIP3    H121999   1.592  -4.241  -1.555
+ 5230TIP3    H222000   1.573  -4.335  -1.443
+ 5231TIP3   OH222001   1.518  -2.892  -1.860
+ 5231TIP3    H122002   1.443  -2.838  -1.831
+ 5231TIP3    H222003   1.557  -2.836  -1.929
+ 5232TIP3   OH222004   1.457  -2.594  -0.739
+ 5232TIP3    H122005   1.513  -2.621  -0.663
+ 5232TIP3    H222006   1.417  -2.678  -0.766
+ 5233TIP3   OH222007   1.923  -2.695  -0.563
+ 5233TIP3    H122008   1.998  -2.754  -0.543
+ 5233TIP3    H222009   1.906  -2.718  -0.656
+ 5234TIP3   OH222010   2.334  -2.766  -2.415
+ 5234TIP3    H122011   2.257  -2.826  -2.421
+ 5234TIP3    H222012   2.404  -2.824  -2.450
+ 5235TIP3   OH222013   2.578  -2.867  -0.708
+ 5235TIP3    H122014   2.538  -2.947  -0.669
+ 5235TIP3    H222015   2.645  -2.842  -0.642
+ 5236TIP3   OH222016   2.798  -2.777  -2.404
+ 5236TIP3    H122017   2.811  -2.855  -2.347
+ 5236TIP3    H222018   2.880  -2.777  -2.457
+ 5237TIP3   OH222019   1.455  -3.236  -0.631
+ 5237TIP3    H122020   1.464  -3.325  -0.667
+ 5237TIP3    H222021   1.378  -3.204  -0.682
+ 5238TIP3   OH222022   1.877  -3.193  -2.430
+ 5238TIP3    H122023   1.892  -3.251  -2.353
+ 5238TIP3    H222024   1.964  -3.197  -2.474
+ 5239TIP3   OH222025   2.119  -3.216  -0.697
+ 5239TIP3    H122026   2.088  -3.182  -0.782
+ 5239TIP3    H222027   2.124  -3.313  -0.713
+ 5240TIP3   OH222028   2.402  -3.059  -2.468
+ 5240TIP3    H122029   2.396  -3.064  -2.371
+ 5240TIP3    H222030   2.395  -3.155  -2.490
+ 5241TIP3   OH222031   2.656  -3.253  -0.959
+ 5241TIP3    H122032   2.735  -3.200  -0.976
+ 5241TIP3    H222033   2.587  -3.185  -0.959
+ 5242TIP3   OH222034   1.541  -3.523  -0.714
+ 5242TIP3    H122035   1.616  -3.586  -0.712
+ 5242TIP3    H222036   1.536  -3.499  -0.620
+ 5243TIP3   OH222037   1.985  -3.385  -2.196
+ 5243TIP3    H122038   1.924  -3.435  -2.140
+ 5243TIP3    H222039   2.015  -3.454  -2.259
+ 5244TIP3   OH222040   1.908  -3.609  -0.970
+ 5244TIP3    H122041   1.852  -3.531  -0.951
+ 5244TIP3    H222042   1.972  -3.572  -1.033
+ 5245TIP3   OH222043   2.080  -3.584  -2.370
+ 5245TIP3    H122044   2.076  -3.575  -2.467
+ 5245TIP3    H222045   2.176  -3.587  -2.355
+ 5246TIP3   OH222046   2.437  -3.338  -0.615
+ 5246TIP3    H122047   2.528  -3.356  -0.645
+ 5246TIP3    H222048   2.413  -3.422  -0.573
+ 5247TIP3   OH222049   3.032  -3.332  -2.438
+ 5247TIP3    H122050   3.021  -3.372  -2.525
+ 5247TIP3    H222051   3.022  -3.237  -2.460
+ 5248TIP3   OH222052   1.966  -3.879  -0.860
+ 5248TIP3    H122053   1.974  -3.943  -0.932
+ 5248TIP3    H222054   1.945  -3.797  -0.908
+ 5249TIP3   OH222055   2.005  -4.039  -1.119
+ 5249TIP3    H122056   2.057  -3.980  -1.178
+ 5249TIP3    H222057   1.913  -4.025  -1.151
+ 5250TIP3   OH222058   2.155  -3.488  -1.072
+ 5250TIP3    H122059   2.240  -3.493  -1.119
+ 5250TIP3    H222060   2.123  -3.400  -1.101
+ 5251TIP3   OH222061   2.611  -3.694  -0.595
+ 5251TIP3    H122062   2.633  -3.786  -0.576
+ 5251TIP3    H222063   2.700  -3.653  -0.597
+ 5252TIP3   OH222064   2.711  -3.415  -0.745
+ 5252TIP3    H122065   2.675  -3.353  -0.812
+ 5252TIP3    H222066   2.801  -3.428  -0.782
+ 5253TIP3   OH222067   1.789  -3.697  -0.674
+ 5253TIP3    H122068   1.736  -3.778  -0.676
+ 5253TIP3    H222069   1.869  -3.725  -0.722
+ 5254TIP3   OH222070   2.051  -4.278  -0.998
+ 5254TIP3    H122071   2.066  -4.187  -1.031
+ 5254TIP3    H222072   1.957  -4.285  -1.015
+ 5255TIP3   OH222073   2.200  -3.845  -0.700
+ 5255TIP3    H122074   2.168  -3.871  -0.612
+ 5255TIP3    H222075   2.119  -3.863  -0.752
+ 5256TIP3   OH222076   2.458  -3.946  -0.803
+ 5256TIP3    H122077   2.370  -3.930  -0.765
+ 5256TIP3    H222078   2.496  -4.009  -0.739
+ 5257TIP3   OH222079   2.632  -4.137  -0.633
+ 5257TIP3    H122080   2.618  -4.224  -0.594
+ 5257TIP3    H222081   2.618  -4.077  -0.558
+ 5258TIP3   OH222082   1.668  -3.960  -0.689
+ 5258TIP3    H122083   1.640  -4.020  -0.761
+ 5258TIP3    H222084   1.621  -3.997  -0.613
+ 5259TIP3   OH222085   2.163  -4.147  -0.589
+ 5259TIP3    H122086   2.139  -4.228  -0.636
+ 5259TIP3    H222087   2.078  -4.098  -0.584
+ 5260TIP3   OH222088   2.058  -2.462  -2.261
+ 5260TIP3    H122089   2.153  -2.447  -2.248
+ 5260TIP3    H222090   2.043  -2.413  -2.343
+ 5261TIP3   OH222091   1.448  -3.020  -2.307
+ 5261TIP3    H122092   1.543  -3.001  -2.293
+ 5261TIP3    H222093   1.451  -3.099  -2.365
+ 5262TIP3   OH222094   1.349  -2.502  -1.834
+ 5262TIP3    H122095   1.276  -2.539  -1.887
+ 5262TIP3    H222096   1.358  -2.570  -1.764
+ 5263TIP3   OH222097   1.388  -2.700  -1.635
+ 5263TIP3    H122098   1.357  -2.786  -1.602
+ 5263TIP3    H222099   1.421  -2.662  -1.552
+ 5264TIP3   OH222100   3.133  -2.622  -1.017
+ 5264TIP3    H122101   3.106  -2.663  -1.101
+ 5264TIP3    H222102   3.184  -2.693  -0.976
+ 5265TIP3   OH222103   2.931  -3.087  -0.614
+ 5265TIP3    H122104   2.842  -3.076  -0.578
+ 5265TIP3    H222105   2.975  -3.004  -0.589
+ 5266TIP3   OH222106   3.072  -3.195  -2.045
+ 5266TIP3    H122107   3.162  -3.162  -2.027
+ 5266TIP3    H222108   3.062  -3.257  -1.971
+ 5267TIP3   OH222109   3.117  -3.401  -1.849
+ 5267TIP3    H122110   3.050  -3.454  -1.802
+ 5267TIP3    H222111   3.184  -3.385  -1.779
+ 5268TIP3   OH222112   3.083  -3.152  -1.346
+ 5268TIP3    H122113   3.149  -3.190  -1.405
+ 5268TIP3    H222114   3.089  -3.058  -1.371
+ 5269TIP3   OH222115   2.953  -2.878  -1.110
+ 5269TIP3    H122116   2.891  -2.812  -1.074
+ 5269TIP3    H222117   2.926  -2.883  -1.204
+ 5270TIP3   OH222118   3.142  -3.455  -2.188
+ 5270TIP3    H122119   3.092  -3.425  -2.266
+ 5270TIP3    H222120   3.129  -3.381  -2.127
+ 5271TIP3   OH222121   2.973  -3.701  -2.362
+ 5271TIP3    H122122   2.996  -3.637  -2.430
+ 5271TIP3    H222123   2.945  -3.778  -2.415
+ 5272TIP3   OH222124   2.911  -3.586  -1.764
+ 5272TIP3    H122125   2.900  -3.681  -1.779
+ 5272TIP3    H222126   2.873  -3.574  -1.674
+ 5273TIP3   OH222127   1.394  -3.366  -1.395
+ 5273TIP3    H122128   1.420  -3.358  -1.488
+ 5273TIP3    H222129   1.481  -3.385  -1.354
+ 5274TIP3   OH222130   2.970  -3.395  -0.850
+ 5274TIP3    H122131   3.046  -3.453  -0.831
+ 5274TIP3    H222132   3.013  -3.310  -0.871
+ 5275TIP3   OH222133   3.128  -3.584  -0.729
+ 5275TIP3    H122134   3.047  -3.636  -0.752
+ 5275TIP3    H222135   3.196  -3.653  -0.731
+ 5276TIP3   OH222136   2.911  -3.969  -2.448
+ 5276TIP3    H122137   2.968  -4.012  -2.381
+ 5276TIP3    H222138   2.827  -4.017  -2.440
+ 5277TIP3   OH222139   2.895  -3.836  -1.945
+ 5277TIP3    H122140   2.922  -3.929  -1.943
+ 5277TIP3    H222141   2.973  -3.795  -1.987
+ 5278TIP3   OH222142   2.920  -3.776  -1.407
+ 5278TIP3    H122143   3.017  -3.766  -1.407
+ 5278TIP3    H222144   2.903  -3.775  -1.311
+ 5279TIP3   OH222145   2.933  -3.706  -1.123
+ 5279TIP3    H122146   2.850  -3.665  -1.094
+ 5279TIP3    H222147   2.989  -3.628  -1.142
+ 5280TIP3   OH222148   1.381  -3.836  -0.741
+ 5280TIP3    H122149   1.473  -3.859  -0.760
+ 5280TIP3    H222150   1.336  -3.922  -0.745
+ 5281TIP3   OH222151   3.151  -4.278  -0.543
+ 5281TIP3    H122152   3.203  -4.356  -0.564
+ 5281TIP3    H222153   3.155  -4.219  -0.622
+ 5282TIP3   OH222154   2.943  -4.120  -1.945
+ 5282TIP3    H122155   2.939  -4.144  -1.851
+ 5282TIP3    H222156   2.865  -4.166  -1.980
+ 5283TIP3   OH222157   1.458  -3.991  -1.478
+ 5283TIP3    H122158   1.489  -4.083  -1.462
+ 5283TIP3    H222159   1.529  -3.939  -1.436
+ 5284TIP3   OH222160   1.319  -3.728  -1.369
+ 5284TIP3    H122161   1.373  -3.729  -1.448
+ 5284TIP3    H222162   1.353  -3.650  -1.323
+ 5285TIP3   OH222163   3.130  -4.111  -0.759
+ 5285TIP3    H122164   3.044  -4.064  -0.751
+ 5285TIP3    H222165   3.120  -4.146  -0.849
+ 5286TIP3   OH222166   3.134  -4.065  -2.273
+ 5286TIP3    H122167   3.158  -4.144  -2.324
+ 5286TIP3    H222168   3.216  -4.013  -2.273
+ 5287TIP3   OH222169   1.371  -4.105  -1.969
+ 5287TIP3    H122170   1.276  -4.092  -1.983
+ 5287TIP3    H222171   1.410  -4.033  -2.024
+ 5288TIP3   OH222172   2.827  -2.562  -1.754
+ 5288TIP3    H122173   2.879  -2.593  -1.830
+ 5288TIP3    H222174   2.897  -2.536  -1.692
+ 5289TIP3   OH222175   1.352  -4.128  -1.112
+ 5289TIP3    H122176   1.348  -4.222  -1.087
+ 5289TIP3    H222177   1.324  -4.131  -1.205
+ 5290TIP3   OH222178   1.569  -2.901  -0.682
+ 5290TIP3    H122179   1.496  -2.896  -0.745
+ 5290TIP3    H222180   1.524  -2.895  -0.597
+ 5291TIP3   OH222181   1.854  -2.799  -1.115
+ 5291TIP3    H122182   1.822  -2.713  -1.149
+ 5291TIP3    H222183   1.950  -2.788  -1.132
+ 5292TIP3   OH222184   2.306  -2.671  -0.814
+ 5292TIP3    H122185   2.319  -2.683  -0.718
+ 5292TIP3    H222186   2.388  -2.622  -0.839
+ 5293TIP3   OH222187   2.533  -2.522  -0.889
+ 5293TIP3    H122188   2.604  -2.584  -0.912
+ 5293TIP3    H222189   2.563  -2.491  -0.801
+ 5294TIP3   OH222190   2.993  -4.277  -0.969
+ 5294TIP3    H122191   2.944  -4.213  -1.023
+ 5294TIP3    H222192   3.004  -4.348  -1.034
+ 5295TIP3   OH222193   1.591  -2.506  -1.081
+ 5295TIP3    H122194   1.532  -2.443  -1.125
+ 5295TIP3    H222195   1.562  -2.495  -0.989
+ 5296TIP3   OH222196   1.840  -2.527  -1.227
+ 5296TIP3    H122197   1.756  -2.507  -1.182
+ 5296TIP3    H222198   1.845  -2.455  -1.294
+ 5297TIP3   OH222199   2.316  -2.525  -1.270
+ 5297TIP3    H122200   2.278  -2.479  -1.347
+ 5297TIP3    H222201   2.325  -2.452  -1.206
+ 5298TIP3   OH222202   2.548  -2.657  -1.179
+ 5298TIP3    H122203   2.465  -2.615  -1.209
+ 5298TIP3    H222204   2.610  -2.582  -1.184
+ 5299TIP3   OH222205   2.808  -2.498  -1.177
+ 5299TIP3    H122206   2.799  -2.404  -1.200
+ 5299TIP3    H222207   2.858  -2.529  -1.255
+ 5300TIP3   OH222208   1.550  -2.623  -1.388
+ 5300TIP3    H122209   1.546  -2.671  -1.302
+ 5300TIP3    H222210   1.627  -2.667  -1.429
+ 5301TIP3   OH222211   1.752  -2.749  -1.545
+ 5301TIP3    H122212   1.736  -2.840  -1.515
+ 5301TIP3    H222213   1.842  -2.732  -1.511
+ 5302TIP3   OH222214   2.026  -2.702  -1.454
+ 5302TIP3    H122215   2.046  -2.796  -1.474
+ 5302TIP3    H222216   2.034  -2.703  -1.357
+ 5303TIP3   OH222217   2.359  -4.112  -1.523
+ 5303TIP3    H122218   2.294  -4.181  -1.496
+ 5303TIP3    H222219   2.414  -4.161  -1.585
+ 5304TIP3   OH222220   2.886  -4.334  -1.482
+ 5304TIP3    H122221   2.940  -4.283  -1.543
+ 5304TIP3    H222222   2.796  -4.309  -1.507
+ 5305TIP3   OH222223   3.091  -4.227  -1.712
+ 5305TIP3    H122224   3.157  -4.207  -1.778
+ 5305TIP3    H222225   3.087  -4.139  -1.668
+ 5306TIP3   OH222226   1.594  -4.285  -1.797
+ 5306TIP3    H122227   1.501  -4.304  -1.812
+ 5306TIP3    H222228   1.627  -4.364  -1.753
+ 5307TIP3   OH222229   1.449  -4.291  -2.168
+ 5307TIP3    H122230   1.496  -4.243  -2.239
+ 5307TIP3    H222231   1.416  -4.217  -2.114
+ 5308TIP3   OH222232   2.042  -4.228  -1.769
+ 5308TIP3    H122233   2.137  -4.235  -1.784
+ 5308TIP3    H222234   2.027  -4.292  -1.698
+ 5309TIP3   OH222235   2.607  -4.266  -1.628
+ 5309TIP3    H122236   2.624  -4.265  -1.722
+ 5309TIP3    H222237   2.583  -4.358  -1.611
+ 5310TIP3   OH222238   2.712  -4.274  -2.044
+ 5310TIP3    H122239   2.637  -4.211  -2.052
+ 5310TIP3    H222240   2.666  -4.359  -2.035
+ 5311TIP3   OH222241   1.492  -2.697  -2.066
+ 5311TIP3    H122242   1.428  -2.706  -2.138
+ 5311TIP3    H222243   1.491  -2.601  -2.054
+ 5312TIP3   OH222244   1.642  -4.128  -2.325
+ 5312TIP3    H122245   1.714  -4.160  -2.383
+ 5312TIP3    H222246   1.694  -4.074  -2.262
+ 5313TIP3   OH222247   2.170  -4.060  -2.098
+ 5313TIP3    H122248   2.172  -4.144  -2.048
+ 5313TIP3    H222249   2.183  -3.992  -2.029
+ 5314TIP3   OH222250   2.363  -2.512  -2.253
+ 5314TIP3    H122251   2.460  -2.513  -2.255
+ 5314TIP3    H222252   2.342  -2.579  -2.320
+ 5315TIP3   OH222253   3.017  -2.612  -1.997
+ 5315TIP3    H122254   2.989  -2.695  -2.041
+ 5315TIP3    H222255   3.004  -2.547  -2.067
+ 5316TIP3   OH222256   1.555  -4.179  -0.846
+ 5316TIP3    H122257   1.510  -4.258  -0.815
+ 5316TIP3    H222258   1.644  -4.216  -0.857
+ 5317TIP3   OH222259   1.848  -4.279  -0.582
+ 5317TIP3    H122260   1.935  -4.305  -0.619
+ 5317TIP3    H222261   1.824  -4.357  -0.531
+ 5318TIP3   OH222262   1.637  -2.603  -2.384
+ 5318TIP3    H122263   1.614  -2.573  -2.295
+ 5318TIP3    H222264   1.716  -2.657  -2.369
+ 5319TIP3   OH222265   2.960  -2.737  -0.751
+ 5319TIP3    H122266   2.891  -2.754  -0.818
+ 5319TIP3    H222267   2.947  -2.641  -0.738
+ 5320TIP3   OH222268   4.300  -3.437  -1.432
+ 5320TIP3    H122269   4.256  -3.471  -1.352
+ 5320TIP3    H222270   4.242  -3.472  -1.502
+ 5321TIP3   OH222271   3.521  -3.467  -1.270
+ 5321TIP3    H122272   3.514  -3.539  -1.204
+ 5321TIP3    H222273   3.583  -3.407  -1.225
+ 5322TIP3   OH222274   3.585  -2.997  -1.418
+ 5322TIP3    H122275   3.555  -3.087  -1.441
+ 5322TIP3    H222276   3.678  -3.014  -1.396
+ 5323TIP3   OH222277   3.279  -3.665  -1.880
+ 5323TIP3    H122278   3.246  -3.575  -1.866
+ 5323TIP3    H222279   3.204  -3.706  -1.923
+ 5324TIP3   OH222280   3.361  -3.415  -1.697
+ 5324TIP3    H122281   3.376  -3.495  -1.643
+ 5324TIP3    H222282   3.446  -3.403  -1.739
+ 5325TIP3   OH222283   4.123  -3.179  -1.365
+ 5325TIP3    H122284   4.161  -3.230  -1.438
+ 5325TIP3    H222285   4.200  -3.133  -1.331
+ 5326TIP3   OH222286   3.744  -3.941  -1.617
+ 5326TIP3    H122287   3.760  -3.856  -1.661
+ 5326TIP3    H222288   3.708  -3.993  -1.692
+ 5327TIP3   OH222289   3.413  -3.663  -1.569
+ 5327TIP3    H122290   3.472  -3.711  -1.510
+ 5327TIP3    H222291   3.422  -3.714  -1.652
+ 5328TIP3   OH222292   3.957  -3.530  -1.619
+ 5328TIP3    H122293   4.027  -3.590  -1.586
+ 5328TIP3    H222294   3.901  -3.592  -1.669
+ 5329TIP3   OH222295   3.624  -4.055  -1.202
+ 5329TIP3    H122296   3.588  -3.998  -1.273
+ 5329TIP3    H222297   3.557  -4.039  -1.133
+ 5330TIP3   OH222298   3.915  -3.275  -1.190
+ 5330TIP3    H122299   3.841  -3.217  -1.161
+ 5330TIP3    H222300   3.977  -3.211  -1.228
+ 5331TIP3   OH222301   3.583  -3.855  -1.408
+ 5331TIP3    H122302   3.645  -3.794  -1.363
+ 5331TIP3    H222303   3.641  -3.890  -1.479
+ 5332TIP3   OH222304   3.716  -3.084  -1.117
+ 5332TIP3    H122305   3.713  -2.992  -1.149
+ 5332TIP3    H222306   3.628  -3.088  -1.074
+ 5333TIP3   OH222307   3.347  -3.115  -2.032
+ 5333TIP3    H122308   3.326  -3.062  -2.111
+ 5333TIP3    H222309   3.366  -3.045  -1.965
+ 5334TIP3   OH222310   4.047   4.380  -1.480
+ 5334TIP3    H122311   4.048   4.284  -1.464
+ 5334TIP3    H222312   3.959   4.408  -1.446
+ 5335TIP3   OH222313   4.276  -3.420  -2.022
+ 5335TIP3    H122314   4.204  -3.354  -2.034
+ 5335TIP3    H222315   4.330  -3.400  -2.098
+ 5336TIP3   OH222316   4.286  -3.580  -2.309
+ 5336TIP3    H122317   4.366  -3.585  -2.255
+ 5336TIP3    H222318   4.292  -3.660  -2.363
+ 5337TIP3   OH222319   3.760  -3.339  -1.730
+ 5337TIP3    H122320   3.726  -3.380  -1.812
+ 5337TIP3    H222321   3.823  -3.404  -1.698
+ 5338TIP3   OH222322   3.895  -3.001  -1.454
+ 5338TIP3    H122323   3.886  -3.037  -1.543
+ 5338TIP3    H222324   3.976  -3.045  -1.422
+ 5339TIP3   OH222325   3.820  -3.461  -1.381
+ 5339TIP3    H122326   3.875  -3.452  -1.460
+ 5339TIP3    H222327   3.852  -3.389  -1.323
+ 5340TIP3   OH222328   3.903  -3.023  -0.900
+ 5340TIP3    H122329   3.852  -2.957  -0.850
+ 5340TIP3    H222330   3.838  -3.048  -0.968
+ 5341TIP3   OH222331   3.594  -3.387  -0.986
+ 5341TIP3    H122332   3.601  -3.328  -0.909
+ 5341TIP3    H222333   3.498  -3.398  -0.993
+ 5342TIP3   OH222334   4.249  -2.815  -1.808
+ 5342TIP3    H122335   4.299  -2.762  -1.745
+ 5342TIP3    H222336   4.199  -2.746  -1.855
+ 5343TIP3   OH222337   3.712  -2.807  -0.816
+ 5343TIP3    H122338   3.701  -2.802  -0.912
+ 5343TIP3    H222339   3.623  -2.832  -0.785
+ 5344TIP3   OH222340   3.650  -3.464  -1.976
+ 5344TIP3    H122341   3.631  -3.386  -2.032
+ 5344TIP3    H222342   3.581  -3.525  -2.005
+ 5345TIP3   OH222343   3.260  -3.197  -1.104
+ 5345TIP3    H122344   3.212  -3.192  -1.190
+ 5345TIP3    H222345   3.267  -3.292  -1.089
+ 5346TIP3   OH222346   3.273  -2.927  -1.416
+ 5346TIP3    H122347   3.367  -2.924  -1.395
+ 5346TIP3    H222348   3.238  -2.847  -1.371
+ 5347TIP3   OH222349   4.172  -2.924  -0.950
+ 5347TIP3    H122350   4.183  -2.836  -0.911
+ 5347TIP3    H222351   4.080  -2.947  -0.926
+ 5348TIP3   OH222352   4.185  -2.539  -1.959
+ 5348TIP3    H122353   4.206  -2.533  -2.053
+ 5348TIP3    H222354   4.207  -2.451  -1.925
+ 5349TIP3   OH222355   3.575  -2.628  -1.795
+ 5349TIP3    H122356   3.589  -2.669  -1.707
+ 5349TIP3    H222357   3.486  -2.660  -1.816
+ 5350TIP3   OH222358   3.477  -3.043  -0.980
+ 5350TIP3    H122359   3.502  -3.090  -0.898
+ 5350TIP3    H222360   3.401  -3.094  -1.013
+ 5351TIP3   OH222361   3.793  -4.217  -1.390
+ 5351TIP3    H122362   3.706  -4.233  -1.428
+ 5351TIP3    H222363   3.776  -4.136  -1.340
+ 5352TIP3   OH222364   4.225  -4.300  -1.026
+ 5352TIP3    H122365   4.255  -4.324  -0.937
+ 5352TIP3    H222366   4.130  -4.285  -1.012
+ 5353TIP3   OH222367   4.227  -3.990  -2.307
+ 5353TIP3    H122368   4.161  -4.002  -2.237
+ 5353TIP3    H222369   4.189  -4.050  -2.374
+ 5354TIP3   OH222370   3.781  -3.715  -1.261
+ 5354TIP3    H122371   3.719  -3.705  -1.186
+ 5354TIP3    H222372   3.785  -3.624  -1.297
+ 5355TIP3   OH222373   3.776  -3.708  -1.772
+ 5355TIP3    H122374   3.680  -3.713  -1.788
+ 5355TIP3    H222375   3.810  -3.726  -1.862
+ 5356TIP3   OH222376   4.282  -3.688  -1.964
+ 5356TIP3    H122377   4.255  -3.594  -1.959
+ 5356TIP3    H222378   4.366  -3.681  -2.010
+ 5357TIP3   OH222379   4.248  -3.626  -0.746
+ 5357TIP3    H122380   4.193  -3.706  -0.728
+ 5357TIP3    H222381   4.336  -3.669  -0.744
+ 5358TIP3   OH222382   3.523  -3.700  -1.080
+ 5358TIP3    H122383   3.538  -3.666  -0.991
+ 5358TIP3    H222384   3.479  -3.785  -1.061
+ 5359TIP3   OH222385   3.861  -3.940  -2.420
+ 5359TIP3    H122386   3.821  -3.978  -2.340
+ 5359TIP3    H222387   3.785  -3.923  -2.476
+ 5360TIP3   OH222388   3.195  -3.964  -1.714
+ 5360TIP3    H122389   3.249  -3.953  -1.633
+ 5360TIP3    H222390   3.262  -3.985  -1.780
+ 5361TIP3   OH222391   3.356  -3.913  -2.141
+ 5361TIP3    H122392   3.410  -3.863  -2.205
+ 5361TIP3    H222393   3.286  -3.848  -2.124
+ 5362TIP3   OH222394   4.334  -3.562  -1.162
+ 5362TIP3    H122395   4.380  -3.640  -1.202
+ 5362TIP3    H222396   4.277  -3.609  -1.099
+ 5363TIP3   OH222397   4.049  -3.948  -1.657
+ 5363TIP3    H122398   3.955  -3.965  -1.638
+ 5363TIP3    H222399   4.093  -3.980  -1.577
+ 5364TIP3   OH222400   3.505  -3.830  -1.801
+ 5364TIP3    H122401   3.429  -3.795  -1.852
+ 5364TIP3    H222402   3.535  -3.906  -1.853
+ 5365TIP3   OH222403   3.870  -3.786  -2.033
+ 5365TIP3    H122404   3.966  -3.777  -2.037
+ 5365TIP3    H222405   3.839  -3.734  -2.109
+ 5366TIP3   OH222406   3.724  -3.674  -2.260
+ 5366TIP3    H122407   3.663  -3.694  -2.333
+ 5366TIP3    H222408   3.805  -3.652  -2.309
+ 5367TIP3   OH222409   3.583  -3.197  -0.761
+ 5367TIP3    H122410   3.649  -3.187  -0.690
+ 5367TIP3    H222411   3.501  -3.196  -0.707
+ 5368TIP3   OH222412   4.162  -3.697  -1.516
+ 5368TIP3    H122413   4.207  -3.765  -1.570
+ 5368TIP3    H222414   4.148  -3.747  -1.434
+ 5369TIP3   OH222415   3.667  -4.066  -1.869
+ 5369TIP3    H122416   3.626  -4.153  -1.854
+ 5369TIP3    H222417   3.753  -4.090  -1.906
+ 5370TIP3   OH222418   4.055  -3.843  -1.271
+ 5370TIP3    H122419   3.975  -3.789  -1.269
+ 5370TIP3    H222420   4.101  -3.815  -1.189
+ 5371TIP3   OH222421   4.074  -3.229  -2.069
+ 5371TIP3    H122422   3.994  -3.269  -2.108
+ 5371TIP3    H222423   4.047  -3.214  -1.975
+ 5372TIP3   OH222424   4.221  -3.215  -0.954
+ 5372TIP3    H122425   4.186  -3.240  -0.868
+ 5372TIP3    H222426   4.210  -3.118  -0.954
+ 5373TIP3   OH222427   3.579  -3.272  -1.492
+ 5373TIP3    H122428   3.634  -3.282  -1.571
+ 5373TIP3    H222429   3.588  -3.359  -1.448
+ 5374TIP3   OH222430   4.287  -3.083  -2.174
+ 5374TIP3    H122431   4.260  -2.993  -2.147
+ 5374TIP3    H222432   4.210  -3.135  -2.142
+ 5375TIP3   OH222433   3.307  -3.447  -0.968
+ 5375TIP3    H122434   3.319  -3.488  -0.881
+ 5375TIP3    H222435   3.242  -3.505  -1.011
+ 5376TIP3   OH222436   4.002  -3.490  -0.765
+ 5376TIP3    H122437   3.965  -3.525  -0.848
+ 5376TIP3    H222438   4.095  -3.519  -0.772
+ 5377TIP3   OH222439   3.816  -2.943  -1.769
+ 5377TIP3    H122440   3.856  -2.855  -1.778
+ 5377TIP3    H222441   3.723  -2.922  -1.786
+ 5378TIP3   OH222442   3.416  -3.463  -2.305
+ 5378TIP3    H122443   3.473  -3.394  -2.266
+ 5378TIP3    H222444   3.328  -3.435  -2.273
+ 5379TIP3   OH222445   3.996  -3.175  -1.803
+ 5379TIP3    H122446   3.971  -3.082  -1.791
+ 5379TIP3    H222447   3.918  -3.220  -1.765
+ 5380TIP3   OH222448   4.021  -2.745  -1.167
+ 5380TIP3    H122449   4.077  -2.672  -1.201
+ 5380TIP3    H222450   4.085  -2.793  -1.113
+ 5381TIP3   OH222451   3.860  -2.652  -1.847
+ 5381TIP3    H122452   3.764  -2.638  -1.835
+ 5381TIP3    H222453   3.896  -2.566  -1.821
+ 5382TIP3   OH222454   3.438  -3.964  -1.012
+ 5382TIP3    H122455   3.345  -3.944  -1.038
+ 5382TIP3    H222456   3.423  -4.047  -0.962
+ 5383TIP3   OH222457   3.420  -2.802  -1.162
+ 5383TIP3    H122458   3.440  -2.894  -1.146
+ 5383TIP3    H222459   3.437  -2.763  -1.076
+ 5384TIP3   OH222460   3.993  -2.933  -2.463
+ 5384TIP3    H122461   4.029  -3.009  -2.513
+ 5384TIP3    H222462   3.957  -2.977  -2.384
+ 5385TIP3   OH222463   3.887  -2.990  -2.188
+ 5385TIP3    H122464   3.934  -3.037  -2.118
+ 5385TIP3    H222465   3.897  -2.897  -2.160
+ 5386TIP3   OH222466   3.567  -3.242  -2.151
+ 5386TIP3    H122467   3.493  -3.203  -2.100
+ 5386TIP3    H222468   3.613  -3.161  -2.180
+ 5387TIP3   OH222469   4.330  -3.928  -1.091
+ 5387TIP3    H122470   4.401  -3.994  -1.103
+ 5387TIP3    H222471   4.273  -3.963  -1.161
+ 5388TIP3   OH222472   4.167  -2.826  -2.136
+ 5388TIP3    H122473   4.089  -2.773  -2.112
+ 5388TIP3    H222474   4.211  -2.766  -2.198
+ 5389TIP3   OH222475   4.141  -3.908  -1.912
+ 5389TIP3    H122476   4.199  -3.829  -1.921
+ 5389TIP3    H222477   4.109  -3.897  -1.819
+ 5390TIP3   OH222478   4.153  -3.756  -1.003
+ 5390TIP3    H122479   4.180  -3.711  -0.922
+ 5390TIP3    H222480   4.222  -3.826  -1.010
+ 5391TIP3   OH222481   4.205  -4.173  -1.799
+ 5391TIP3    H122482   4.173  -4.084  -1.774
+ 5391TIP3    H222483   4.272  -4.152  -1.867
+ 5392TIP3   OH222484   3.893  -2.718  -2.130
+ 5392TIP3    H122485   3.891  -2.636  -2.184
+ 5392TIP3    H222486   3.880  -2.683  -2.040
+ 5393TIP3   OH222487   3.766  -4.051  -2.177
+ 5393TIP3    H122488   3.767  -3.968  -2.126
+ 5393TIP3    H222489   3.857  -4.083  -2.157
+ 5394TIP3   OH222490   3.611  -2.962  -2.275
+ 5394TIP3    H122491   3.681  -2.909  -2.235
+ 5394TIP3    H222492   3.662  -3.010  -2.342
+ 5395TIP3   OH222493   3.421  -3.746  -2.361
+ 5395TIP3    H122494   3.436  -3.651  -2.341
+ 5395TIP3    H222495   3.337  -3.742  -2.409
+ 5396TIP3   OH222496   3.455  -4.241  -1.463
+ 5396TIP3    H122497   3.487  -4.249  -1.554
+ 5396TIP3    H222498   3.451  -4.334  -1.438
+ 5397TIP3   OH222499   3.404  -2.899  -1.868
+ 5397TIP3    H122500   3.339  -2.845  -1.820
+ 5397TIP3    H222501   3.443  -2.834  -1.929
+ 5398TIP3   OH222502   3.351  -2.598  -0.744
+ 5398TIP3    H122503   3.403  -2.628  -0.668
+ 5398TIP3    H222504   3.307  -2.681  -0.772
+ 5399TIP3   OH222505   3.818  -2.691  -0.564
+ 5399TIP3    H122506   3.883  -2.761  -0.544
+ 5399TIP3    H222507   3.790  -2.717  -0.654
+ 5400TIP3   OH222508   4.231  -2.768  -2.432
+ 5400TIP3    H122509   4.147  -2.819  -2.430
+ 5400TIP3    H222510   4.293  -2.841  -2.445
+ 5401TIP3   OH222511   3.341  -3.235  -0.631
+ 5401TIP3    H122512   3.350  -3.326  -0.666
+ 5401TIP3    H222513   3.264  -3.204  -0.681
+ 5402TIP3   OH222514   3.762  -3.193  -2.430
+ 5402TIP3    H122515   3.780  -3.251  -2.354
+ 5402TIP3    H222516   3.848  -3.195  -2.476
+ 5403TIP3   OH222517   4.012  -3.213  -0.701
+ 5403TIP3    H122518   3.975  -3.181  -0.785
+ 5403TIP3    H222519   4.015  -3.310  -0.713
+ 5404TIP3   OH222520   4.261  -3.060  -2.474
+ 5404TIP3    H122521   4.278  -3.049  -2.379
+ 5404TIP3    H222522   4.244  -3.156  -2.479
+ 5405TIP3   OH222523   3.428  -3.523  -0.714
+ 5405TIP3    H122524   3.501  -3.586  -0.711
+ 5405TIP3    H222525   3.421  -3.499  -0.621
+ 5406TIP3   OH222526   3.871  -3.387  -2.197
+ 5406TIP3    H122527   3.808  -3.437  -2.143
+ 5406TIP3    H222528   3.902  -3.455  -2.259
+ 5407TIP3   OH222529   3.798  -3.605  -0.967
+ 5407TIP3    H122530   3.738  -3.531  -0.949
+ 5407TIP3    H222531   3.852  -3.569  -1.040
+ 5408TIP3   OH222532   3.978  -3.586  -2.367
+ 5408TIP3    H122533   3.969  -3.578  -2.464
+ 5408TIP3    H222534   4.074  -3.572  -2.357
+ 5409TIP3   OH222535   4.284  -3.359  -0.601
+ 5409TIP3    H122536   4.358  -3.391  -0.653
+ 5409TIP3    H222537   4.267  -3.439  -0.547
+ 5410TIP3   OH222538   3.855  -3.878  -0.856
+ 5410TIP3    H122539   3.862  -3.943  -0.927
+ 5410TIP3    H222540   3.838  -3.796  -0.905
+ 5411TIP3   OH222541   3.892  -4.037  -1.122
+ 5411TIP3    H122542   3.939  -3.977  -1.182
+ 5411TIP3    H222543   3.798  -4.026  -1.150
+ 5412TIP3   OH222544   4.063  -3.489  -1.078
+ 5412TIP3    H122545   4.138  -3.491  -1.137
+ 5412TIP3    H222546   4.024  -3.401  -1.095
+ 5413TIP3   OH222547   3.675  -3.697  -0.677
+ 5413TIP3    H122548   3.621  -3.778  -0.676
+ 5413TIP3    H222549   3.755  -3.728  -0.722
+ 5414TIP3   OH222550   3.941  -4.275  -0.998
+ 5414TIP3    H122551   3.944  -4.183  -1.033
+ 5414TIP3    H222552   3.850  -4.298  -1.019
+ 5415TIP3   OH222553   4.103  -3.852  -0.703
+ 5415TIP3    H122554   4.075  -3.889  -0.618
+ 5415TIP3    H222555   4.026  -3.875  -0.758
+ 5416TIP3   OH222556   3.548  -3.958  -0.691
+ 5416TIP3    H122557   3.525  -4.023  -0.760
+ 5416TIP3    H222558   3.510  -3.998  -0.612
+ 5417TIP3   OH222559   4.054  -4.144  -0.589
+ 5417TIP3    H122560   4.032  -4.230  -0.631
+ 5417TIP3    H222561   3.967  -4.101  -0.583
+ 5418TIP3   OH222562   3.957  -2.465  -2.260
+ 5418TIP3    H122563   4.052  -2.455  -2.250
+ 5418TIP3    H222564   3.942  -2.412  -2.340
+ 5419TIP3   OH222565   3.334  -3.020  -2.308
+ 5419TIP3    H122566   3.429  -3.001  -2.293
+ 5419TIP3    H222567   3.337  -3.099  -2.365
+ 5420TIP3   OH222568   3.237  -2.503  -1.832
+ 5420TIP3    H122569   3.161  -2.538  -1.883
+ 5420TIP3    H222570   3.246  -2.570  -1.761
+ 5421TIP3   OH222571   3.286  -2.704  -1.641
+ 5421TIP3    H122572   3.243  -2.785  -1.608
+ 5421TIP3    H222573   3.280  -2.652  -1.559
+ 5422TIP3   OH222574   3.280  -3.371  -1.395
+ 5422TIP3    H122575   3.304  -3.355  -1.487
+ 5422TIP3    H222576   3.368  -3.385  -1.355
+ 5423TIP3   OH222577   3.266  -3.836  -0.744
+ 5423TIP3    H122578   3.359  -3.860  -0.755
+ 5423TIP3    H222579   3.223  -3.922  -0.744
+ 5424TIP3   OH222580   3.345  -3.995  -1.478
+ 5424TIP3    H122581   3.381  -4.085  -1.462
+ 5424TIP3    H222582   3.414  -3.940  -1.437
+ 5425TIP3   OH222583   3.204  -3.730  -1.374
+ 5425TIP3    H122584   3.263  -3.724  -1.450
+ 5425TIP3    H222585   3.235  -3.655  -1.320
+ 5426TIP3   OH222586   3.239  -4.128  -1.972
+ 5426TIP3    H122587   3.148  -4.096  -1.983
+ 5426TIP3    H222588   3.290  -4.056  -2.015
+ 5427TIP3   OH222589   3.226  -4.127  -1.111
+ 5427TIP3    H122590   3.240  -4.220  -1.085
+ 5427TIP3    H222591   3.212  -4.136  -1.206
+ 5428TIP3   OH222592   3.457  -2.900  -0.679
+ 5428TIP3    H122593   3.385  -2.898  -0.744
+ 5428TIP3    H222594   3.408  -2.899  -0.596
+ 5429TIP3   OH222595   3.742  -2.799  -1.113
+ 5429TIP3    H122596   3.705  -2.716  -1.148
+ 5429TIP3    H222597   3.837  -2.785  -1.132
+ 5430TIP3   OH222598   4.220  -2.637  -0.825
+ 5430TIP3    H122599   4.205  -2.672  -0.736
+ 5430TIP3    H222600   4.315  -2.614  -0.818
+ 5431TIP3   OH222601   3.484  -2.500  -1.075
+ 5431TIP3    H122602   3.422  -2.451  -1.132
+ 5431TIP3    H222603   3.434  -2.503  -0.993
+ 5432TIP3   OH222604   3.732  -2.523  -1.221
+ 5432TIP3    H122605   3.644  -2.510  -1.180
+ 5432TIP3    H222606   3.729  -2.458  -1.294
+ 5433TIP3   OH222607   4.198  -2.549  -1.269
+ 5433TIP3    H122608   4.177  -2.500  -1.351
+ 5433TIP3    H222609   4.256  -2.488  -1.223
+ 5434TIP3   OH222610   3.448  -2.609  -1.376
+ 5434TIP3    H122611   3.420  -2.663  -1.300
+ 5434TIP3    H222612   3.504  -2.670  -1.426
+ 5435TIP3   OH222613   3.635  -2.749  -1.547
+ 5435TIP3    H122614   3.617  -2.839  -1.513
+ 5435TIP3    H222615   3.722  -2.729  -1.507
+ 5436TIP3   OH222616   3.914  -2.697  -1.454
+ 5436TIP3    H122617   3.931  -2.791  -1.476
+ 5436TIP3    H222618   3.918  -2.699  -1.358
+ 5437TIP3   OH222619   4.247  -4.133  -1.520
+ 5437TIP3    H122620   4.179  -4.201  -1.500
+ 5437TIP3    H222621   4.292  -4.173  -1.595
+ 5438TIP3   OH222622   3.483  -4.283  -1.794
+ 5438TIP3    H122623   3.392  -4.313  -1.798
+ 5438TIP3    H222624   3.530  -4.357  -1.754
+ 5439TIP3   OH222625   3.333  -4.300  -2.170
+ 5439TIP3    H122626   3.379  -4.248  -2.237
+ 5439TIP3    H222627   3.290  -4.230  -2.117
+ 5440TIP3   OH222628   3.935  -4.238  -1.784
+ 5440TIP3    H122629   4.032  -4.226  -1.778
+ 5440TIP3    H222630   3.917  -4.292  -1.706
+ 5441TIP3   OH222631   3.384  -2.694  -2.071
+ 5441TIP3    H122632   3.314  -2.706  -2.136
+ 5441TIP3    H222633   3.374  -2.601  -2.050
+ 5442TIP3   OH222634   3.527  -4.129  -2.324
+ 5442TIP3    H122635   3.598  -4.161  -2.383
+ 5442TIP3    H222636   3.580  -4.074  -2.263
+ 5443TIP3   OH222637   4.044  -4.069  -2.101
+ 5443TIP3    H122638   4.062  -4.155  -2.059
+ 5443TIP3    H222639   4.065  -4.006  -2.029
+ 5444TIP3   OH222640   4.264  -2.533  -2.253
+ 5444TIP3    H122641   4.351  -2.494  -2.272
+ 5444TIP3    H222642   4.249  -2.590  -2.331
+ 5445TIP3   OH222643   3.441  -4.177  -0.846
+ 5445TIP3    H122644   3.393  -4.255  -0.814
+ 5445TIP3    H222645   3.528  -4.218  -0.857
+ 5446TIP3   OH222646   3.735  -4.281  -0.580
+ 5446TIP3    H122647   3.822  -4.307  -0.618
+ 5446TIP3    H222648   3.711  -4.361  -0.532
+ 5447TIP3   OH222649   3.524  -2.599  -2.384
+ 5447TIP3    H122650   3.499  -2.579  -2.293
+ 5447TIP3    H222651   3.600  -2.658  -2.371
+ 5448TIP3   OH222652  -3.157  -1.484  -1.749
+ 5448TIP3    H122653  -3.158  -1.388  -1.734
+ 5448TIP3    H222654  -3.231  -1.494  -1.812
+ 5449TIP3   OH222655  -3.261  -1.536  -1.434
+ 5449TIP3    H122656  -3.271  -1.592  -1.355
+ 5449TIP3    H222657  -3.295  -1.596  -1.503
+ 5450TIP3   OH222658  -4.027  -1.580  -1.271
+ 5450TIP3    H122659  -4.032  -1.652  -1.206
+ 5450TIP3    H222660  -3.960  -1.523  -1.232
+ 5451TIP3   OH222661  -2.908  -1.260  -1.599
+ 5451TIP3    H122662  -2.939  -1.333  -1.544
+ 5451TIP3    H222663  -2.876  -1.198  -1.532
+ 5452TIP3   OH222664  -3.959  -1.119  -1.414
+ 5452TIP3    H122665  -3.987  -1.207  -1.443
+ 5452TIP3    H222666  -3.864  -1.134  -1.403
+ 5453TIP3   OH222667  -4.167  -1.676  -1.925
+ 5453TIP3    H122668  -4.220  -1.606  -1.883
+ 5453TIP3    H222669  -4.226  -1.751  -1.908
+ 5454TIP3   OH222670  -4.212  -1.523  -1.683
+ 5454TIP3    H122671  -4.186  -1.604  -1.635
+ 5454TIP3    H222672  -4.131  -1.499  -1.730
+ 5455TIP3   OH222673  -3.200  -0.726  -1.547
+ 5455TIP3    H122674  -3.142  -0.798  -1.579
+ 5455TIP3    H222675  -3.229  -0.760  -1.461
+ 5456TIP3   OH222676  -3.424  -1.288  -1.376
+ 5456TIP3    H122677  -3.392  -1.356  -1.438
+ 5456TIP3    H222678  -3.342  -1.270  -1.328
+ 5457TIP3   OH222679  -2.578  -2.109  -1.329
+ 5457TIP3    H122680  -2.542  -2.067  -1.249
+ 5457TIP3    H222681  -2.504  -2.093  -1.391
+ 5458TIP3   OH222682  -3.092  -1.848  -1.327
+ 5458TIP3    H122683  -3.082  -1.945  -1.321
+ 5458TIP3    H222684  -3.093  -1.834  -1.423
+ 5459TIP3   OH222685  -3.799  -2.052  -1.620
+ 5459TIP3    H122686  -3.786  -1.966  -1.665
+ 5459TIP3    H222687  -3.835  -2.105  -1.694
+ 5460TIP3   OH222688  -3.006  -2.021  -1.787
+ 5460TIP3    H122689  -2.951  -2.083  -1.735
+ 5460TIP3    H222690  -2.962  -2.020  -1.875
+ 5461TIP3   OH222691  -4.138  -1.775  -1.568
+ 5461TIP3    H122692  -4.080  -1.819  -1.503
+ 5461TIP3    H222693  -4.121  -1.829  -1.647
+ 5462TIP3   OH222694  -3.590  -1.642  -1.620
+ 5462TIP3    H122695  -3.519  -1.698  -1.584
+ 5462TIP3    H222696  -3.642  -1.707  -1.672
+ 5463TIP3   OH222697  -2.474  -1.988  -1.071
+ 5463TIP3    H122698  -2.544  -1.923  -1.087
+ 5463TIP3    H222699  -2.487  -2.011  -0.978
+ 5464TIP3   OH222700  -3.919  -2.170  -1.202
+ 5464TIP3    H122701  -3.963  -2.126  -1.276
+ 5464TIP3    H222702  -3.981  -2.152  -1.129
+ 5465TIP3   OH222703  -3.168  -1.196  -1.864
+ 5465TIP3    H122704  -3.201  -1.219  -1.952
+ 5465TIP3    H222705  -3.215  -1.112  -1.845
+ 5466TIP3   OH222706  -3.624  -1.384  -1.190
+ 5466TIP3    H122707  -3.698  -1.324  -1.164
+ 5466TIP3    H222708  -3.564  -1.323  -1.237
+ 5467TIP3   OH222709  -2.828  -2.097  -1.580
+ 5467TIP3    H122710  -2.863  -2.171  -1.528
+ 5467TIP3    H222711  -2.764  -2.060  -1.516
+ 5468TIP3   OH222712  -3.957  -1.966  -1.411
+ 5468TIP3    H122713  -3.893  -1.908  -1.366
+ 5468TIP3    H222714  -3.900  -2.003  -1.482
+ 5469TIP3   OH222715  -3.826  -1.197  -1.113
+ 5469TIP3    H122716  -3.829  -1.108  -1.152
+ 5469TIP3    H222717  -3.916  -1.202  -1.077
+ 5470TIP3   OH222718  -4.186  -1.241  -2.022
+ 5470TIP3    H122719  -4.261  -1.219  -2.081
+ 5470TIP3    H222720  -4.188  -1.167  -1.959
+ 5471TIP3   OH222721  -2.850  -1.078  -1.355
+ 5471TIP3    H122722  -2.945  -1.058  -1.357
+ 5471TIP3    H222723  -2.811  -0.992  -1.379
+ 5472TIP3   OH222724  -2.820  -2.195  -1.199
+ 5472TIP3    H122725  -2.898  -2.158  -1.244
+ 5472TIP3    H222726  -2.749  -2.175  -1.262
+ 5473TIP3   OH222727  -3.506  -2.422  -1.496
+ 5473TIP3    H122728  -3.526  -2.517  -1.500
+ 5473TIP3    H222729  -3.588  -2.386  -1.457
+ 5474TIP3   OH222730  -3.018  -0.889  -1.692
+ 5474TIP3    H122731  -2.971  -0.968  -1.726
+ 5474TIP3    H222732  -2.951  -0.819  -1.706
+ 5475TIP3   OH222733  -2.872  -1.105  -1.837
+ 5475TIP3    H122734  -2.930  -1.148  -1.901
+ 5475TIP3    H222735  -2.880  -1.165  -1.761
+ 5476TIP3   OH222736  -3.283  -1.530  -2.017
+ 5476TIP3    H122737  -3.350  -1.469  -2.053
+ 5476TIP3    H222738  -3.218  -1.533  -2.090
+ 5477TIP3   OH222739  -3.261  -1.697  -2.313
+ 5477TIP3    H122740  -3.191  -1.687  -2.247
+ 5477TIP3    H222741  -3.228  -1.774  -2.361
+ 5478TIP3   OH222742  -2.559  -1.598  -1.195
+ 5478TIP3    H122743  -2.621  -1.525  -1.179
+ 5478TIP3    H222744  -2.504  -1.561  -1.267
+ 5479TIP3   OH222745  -2.922  -1.547  -1.879
+ 5479TIP3    H122746  -2.993  -1.500  -1.831
+ 5479TIP3    H222747  -2.957  -1.636  -1.880
+ 5480TIP3   OH222748  -2.956  -1.679  -1.026
+ 5480TIP3    H122749  -2.954  -1.604  -0.963
+ 5480TIP3    H222750  -3.024  -1.648  -1.089
+ 5481TIP3   OH222751  -3.782  -1.451  -1.730
+ 5481TIP3    H122752  -3.817  -1.491  -1.812
+ 5481TIP3    H222753  -3.718  -1.518  -1.700
+ 5482TIP3   OH222754  -3.650  -1.115  -1.454
+ 5482TIP3    H122755  -3.660  -1.146  -1.545
+ 5482TIP3    H222756  -3.568  -1.159  -1.426
+ 5483TIP3   OH222757  -3.725  -1.572  -1.380
+ 5483TIP3    H122758  -3.671  -1.567  -1.461
+ 5483TIP3    H222759  -3.687  -1.503  -1.324
+ 5484TIP3   OH222760  -3.129  -1.017  -1.324
+ 5484TIP3    H122761  -3.134  -0.950  -1.255
+ 5484TIP3    H222762  -3.152  -1.100  -1.278
+ 5485TIP3   OH222763  -3.639  -1.140  -0.896
+ 5485TIP3    H122764  -3.690  -1.067  -0.854
+ 5485TIP3    H222765  -3.700  -1.165  -0.968
+ 5486TIP3   OH222766  -3.044  -1.609  -2.147
+ 5486TIP3    H122767  -2.979  -1.589  -2.078
+ 5486TIP3    H222768  -2.997  -1.574  -2.226
+ 5487TIP3   OH222769  -3.955  -1.505  -0.982
+ 5487TIP3    H122770  -3.949  -1.447  -0.904
+ 5487TIP3    H222771  -4.052  -1.508  -0.994
+ 5488TIP3   OH222772  -3.302  -0.925  -1.804
+ 5488TIP3    H122773  -3.258  -0.891  -1.726
+ 5488TIP3    H222774  -3.353  -0.848  -1.836
+ 5489TIP3   OH222775  -3.833  -0.931  -0.816
+ 5489TIP3    H122776  -3.841  -0.917  -0.913
+ 5489TIP3    H222777  -3.926  -0.941  -0.789
+ 5490TIP3   OH222778  -2.704  -2.408  -2.205
+ 5490TIP3    H122779  -2.790  -2.395  -2.161
+ 5490TIP3    H222780  -2.673  -2.316  -2.213
+ 5491TIP3   OH222781  -3.891  -1.579  -1.979
+ 5491TIP3    H122782  -3.916  -1.502  -2.033
+ 5491TIP3    H222783  -3.971  -1.633  -1.985
+ 5492TIP3   OH222784  -2.567  -0.994  -2.364
+ 5492TIP3    H122785  -2.552  -0.902  -2.336
+ 5492TIP3    H222786  -2.482  -1.036  -2.339
+ 5493TIP3   OH222787  -4.264  -1.295  -1.124
+ 5493TIP3    H122788  -4.286  -1.327  -1.213
+ 5493TIP3    H222789  -4.308  -1.363  -1.069
+ 5494TIP3   OH222790  -4.284  -1.020  -1.424
+ 5494TIP3    H122791  -4.196  -1.057  -1.408
+ 5494TIP3    H222792  -4.298  -0.965  -1.347
+ 5495TIP3   OH222793  -3.367  -1.041  -0.956
+ 5495TIP3    H122794  -3.354  -0.957  -0.907
+ 5495TIP3    H222795  -3.459  -1.063  -0.934
+ 5496TIP3   OH222796  -3.344  -0.652  -1.955
+ 5496TIP3    H122797  -3.351  -0.645  -2.052
+ 5496TIP3    H222798  -3.342  -0.559  -1.927
+ 5497TIP3   OH222799  -3.957  -0.745  -1.783
+ 5497TIP3    H122800  -3.957  -0.791  -1.696
+ 5497TIP3    H222801  -4.044  -0.771  -1.818
+ 5498TIP3   OH222802  -3.017  -0.708  -2.237
+ 5498TIP3    H122803  -2.964  -0.776  -2.282
+ 5498TIP3    H222804  -3.025  -0.746  -2.147
+ 5499TIP3   OH222805  -3.079  -0.769  -1.959
+ 5499TIP3    H122806  -3.174  -0.752  -1.946
+ 5499TIP3    H222807  -3.065  -0.839  -1.893
+ 5500TIP3   OH222808  -2.770  -1.820  -0.798
+ 5500TIP3    H122809  -2.813  -1.784  -0.877
+ 5500TIP3    H222810  -2.762  -1.915  -0.822
+ 5501TIP3   OH222811  -4.074  -1.155  -0.973
+ 5501TIP3    H122812  -4.043  -1.219  -0.906
+ 5501TIP3    H222813  -4.148  -1.203  -1.017
+ 5502TIP3   OH222814  -3.749  -2.309  -1.402
+ 5502TIP3    H122815  -3.830  -2.318  -1.455
+ 5502TIP3    H222816  -3.774  -2.235  -1.344
+ 5503TIP3   OH222817  -3.311  -2.350  -1.038
+ 5503TIP3    H122818  -3.257  -2.403  -0.976
+ 5503TIP3    H222819  -3.400  -2.387  -1.025
+ 5504TIP3   OH222820  -3.000  -1.972  -0.992
+ 5504TIP3    H122821  -3.053  -1.988  -0.912
+ 5504TIP3    H222822  -3.000  -1.875  -1.000
+ 5505TIP3   OH222823  -2.908  -1.492  -2.361
+ 5505TIP3    H122824  -2.922  -1.505  -2.456
+ 5505TIP3    H222825  -2.816  -1.462  -2.359
+ 5506TIP3   OH222826  -3.310  -2.097  -2.329
+ 5506TIP3    H122827  -3.340  -2.104  -2.238
+ 5506TIP3    H222828  -3.357  -2.170  -2.372
+ 5507TIP3   OH222829  -3.759  -1.829  -1.262
+ 5507TIP3    H122830  -3.823  -1.819  -1.189
+ 5507TIP3    H222831  -3.755  -1.738  -1.299
+ 5508TIP3   OH222832  -3.768  -1.823  -1.774
+ 5508TIP3    H122833  -3.864  -1.825  -1.792
+ 5508TIP3    H222834  -3.733  -1.839  -1.864
+ 5509TIP3   OH222835  -3.169  -1.771  -1.915
+ 5509TIP3    H122836  -3.223  -1.694  -1.941
+ 5509TIP3    H222837  -3.119  -1.787  -1.997
+ 5510TIP3   OH222838  -3.288  -1.741  -0.757
+ 5510TIP3    H122839  -3.336  -1.820  -0.725
+ 5510TIP3    H222840  -3.198  -1.758  -0.721
+ 5511TIP3   OH222841  -3.065  -1.801  -1.633
+ 5511TIP3    H122842  -3.125  -1.747  -1.688
+ 5511TIP3    H222843  -3.081  -1.889  -1.672
+ 5512TIP3   OH222844  -4.022  -1.813  -1.079
+ 5512TIP3    H122845  -3.998  -1.777  -0.993
+ 5512TIP3    H222846  -4.053  -1.902  -1.054
+ 5513TIP3   OH222847  -3.685  -2.054  -2.419
+ 5513TIP3    H122848  -3.723  -2.091  -2.336
+ 5513TIP3    H222849  -3.764  -2.039  -2.473
+ 5514TIP3   OH222850  -4.324  -2.057  -1.708
+ 5514TIP3    H122851  -4.305  -2.083  -1.616
+ 5514TIP3    H222852  -4.277  -2.124  -1.758
+ 5515TIP3   OH222853  -4.213  -1.999  -2.126
+ 5515TIP3    H122854  -4.150  -1.976  -2.198
+ 5515TIP3    H222855  -4.296  -1.977  -2.168
+ 5516TIP3   OH222856  -3.207  -1.658  -1.169
+ 5516TIP3    H122857  -3.166  -1.729  -1.222
+ 5516TIP3    H222858  -3.246  -1.709  -1.096
+ 5517TIP3   OH222859  -3.488  -2.057  -1.668
+ 5517TIP3    H122860  -3.583  -2.066  -1.650
+ 5517TIP3    H222861  -3.449  -2.089  -1.584
+ 5518TIP3   OH222862  -4.040  -1.941  -1.803
+ 5518TIP3    H122863  -4.120  -1.928  -1.855
+ 5518TIP3    H222864  -4.002  -2.021  -1.845
+ 5519TIP3   OH222865  -3.673  -1.909  -2.036
+ 5519TIP3    H122866  -3.576  -1.899  -2.029
+ 5519TIP3    H222867  -3.697  -1.845  -2.106
+ 5520TIP3   OH222868  -3.054  -2.144  -1.369
+ 5520TIP3    H122869  -3.118  -2.147  -1.295
+ 5520TIP3    H222870  -3.108  -2.184  -1.440
+ 5521TIP3   OH222871  -3.823  -1.783  -2.259
+ 5521TIP3    H122872  -3.883  -1.812  -2.329
+ 5521TIP3    H222873  -3.743  -1.762  -2.309
+ 5522TIP3   OH222874  -2.726  -0.567  -0.731
+ 5522TIP3    H122875  -2.716  -0.509  -0.808
+ 5522TIP3    H222876  -2.656  -0.533  -0.674
+ 5523TIP3   OH222877  -3.947  -1.318  -0.752
+ 5523TIP3    H122878  -3.894  -1.278  -0.682
+ 5523TIP3    H222879  -4.037  -1.306  -0.716
+ 5524TIP3   OH222880  -3.368  -1.811  -1.492
+ 5524TIP3    H122881  -3.321  -1.877  -1.543
+ 5524TIP3    H222882  -3.398  -1.865  -1.415
+ 5525TIP3   OH222883  -3.872  -2.173  -1.864
+ 5525TIP3    H122884  -3.914  -2.260  -1.861
+ 5525TIP3    H222885  -3.791  -2.192  -1.914
+ 5526TIP3   OH222886  -3.487  -1.954  -1.274
+ 5526TIP3    H122887  -3.569  -1.903  -1.264
+ 5526TIP3    H222888  -3.440  -1.938  -1.190
+ 5527TIP3   OH222889  -3.472  -1.330  -2.073
+ 5527TIP3    H122890  -3.550  -1.377  -2.111
+ 5527TIP3    H222891  -3.496  -1.324  -1.978
+ 5528TIP3   OH222892  -2.760  -1.395  -1.189
+ 5528TIP3    H122893  -2.705  -1.335  -1.244
+ 5528TIP3    H222894  -2.835  -1.412  -1.249
+ 5529TIP3   OH222895  -3.304  -1.326  -0.947
+ 5529TIP3    H122896  -3.336  -1.359  -0.862
+ 5529TIP3    H222897  -3.331  -1.232  -0.945
+ 5530TIP3   OH222898  -3.969  -1.388  -1.498
+ 5530TIP3    H122899  -3.911  -1.399  -1.576
+ 5530TIP3    H222900  -3.962  -1.475  -1.455
+ 5531TIP3   OH222901  -3.237  -1.187  -2.180
+ 5531TIP3    H122902  -3.266  -1.100  -2.143
+ 5531TIP3    H222903  -3.312  -1.243  -2.154
+ 5532TIP3   OH222904  -4.238  -1.540  -0.937
+ 5532TIP3    H122905  -4.232  -1.606  -0.867
+ 5532TIP3    H222906  -4.286  -1.589  -1.007
+ 5533TIP3   OH222907  -3.540  -1.602  -0.767
+ 5533TIP3    H122908  -3.576  -1.632  -0.853
+ 5533TIP3    H222909  -3.450  -1.638  -0.774
+ 5534TIP3   OH222910  -2.523  -1.861  -2.111
+ 5534TIP3    H122911  -2.603  -1.900  -2.151
+ 5534TIP3    H222912  -2.533  -1.769  -2.139
+ 5535TIP3   OH222913  -2.524  -1.249  -0.860
+ 5535TIP3    H122914  -2.596  -1.207  -0.908
+ 5535TIP3    H222915  -2.449  -1.223  -0.916
+ 5536TIP3   OH222916  -2.724  -1.002  -2.116
+ 5536TIP3    H122917  -2.737  -1.074  -2.052
+ 5536TIP3    H222918  -2.656  -1.036  -2.175
+ 5537TIP3   OH222919  -2.972  -1.491  -1.377
+ 5537TIP3    H122920  -3.066  -1.501  -1.403
+ 5537TIP3    H222921  -2.935  -1.574  -1.409
+ 5538TIP3   OH222922  -3.728  -1.053  -1.761
+ 5538TIP3    H122923  -3.687  -0.967  -1.780
+ 5538TIP3    H222924  -3.818  -1.038  -1.793
+ 5539TIP3   OH222925  -4.159  -1.561  -2.292
+ 5539TIP3    H122926  -4.082  -1.510  -2.258
+ 5539TIP3    H222927  -4.228  -1.495  -2.279
+ 5540TIP3   OH222928  -3.543  -1.288  -1.802
+ 5540TIP3    H122929  -3.572  -1.196  -1.790
+ 5540TIP3    H222930  -3.618  -1.336  -1.764
+ 5541TIP3   OH222931  -3.524  -0.864  -1.165
+ 5541TIP3    H122932  -3.472  -0.789  -1.198
+ 5541TIP3    H222933  -3.460  -0.907  -1.108
+ 5542TIP3   OH222934  -3.681  -0.767  -1.843
+ 5542TIP3    H122935  -3.778  -0.755  -1.835
+ 5542TIP3    H222936  -3.649  -0.677  -1.824
+ 5543TIP3   OH222937  -3.163  -1.287  -1.201
+ 5543TIP3    H122938  -3.213  -1.322  -1.125
+ 5543TIP3    H222939  -3.104  -1.360  -1.224
+ 5544TIP3   OH222940  -2.963  -1.163  -2.319
+ 5544TIP3    H122941  -2.928  -1.205  -2.239
+ 5544TIP3    H222942  -3.058  -1.173  -2.301
+ 5545TIP3   OH222943  -2.909  -0.849  -0.961
+ 5545TIP3    H122944  -2.978  -0.864  -1.029
+ 5545TIP3    H222945  -2.872  -0.766  -0.994
+ 5546TIP3   OH222946  -2.495  -0.729  -2.269
+ 5546TIP3    H122947  -2.426  -0.662  -2.289
+ 5546TIP3    H222948  -2.571  -0.668  -2.261
+ 5547TIP3   OH222949  -4.102  -2.082  -0.998
+ 5547TIP3    H122950  -4.186  -2.049  -1.035
+ 5547TIP3    H222951  -4.123  -2.170  -0.963
+ 5548TIP3   OH222952  -2.870  -1.302  -2.080
+ 5548TIP3    H122953  -2.894  -1.372  -2.017
+ 5548TIP3    H222954  -2.774  -1.299  -2.070
+ 5549TIP3   OH222955  -4.130  -0.913  -1.159
+ 5549TIP3    H122956  -4.109  -1.007  -1.152
+ 5549TIP3    H222957  -4.093  -0.880  -1.077
+ 5550TIP3   OH222958  -3.519  -1.054  -2.439
+ 5550TIP3    H122959  -3.526  -1.118  -2.513
+ 5550TIP3    H222960  -3.586  -1.089  -2.378
+ 5551TIP3   OH222961  -3.660  -1.100  -2.186
+ 5551TIP3    H122962  -3.611  -1.151  -2.121
+ 5551TIP3    H222963  -3.645  -1.008  -2.158
+ 5552TIP3   OH222964  -3.984  -1.360  -2.153
+ 5552TIP3    H122965  -4.055  -1.317  -2.099
+ 5552TIP3    H222966  -3.940  -1.281  -2.188
+ 5553TIP3   OH222967  -3.213  -2.107  -1.149
+ 5553TIP3    H122968  -3.148  -2.080  -1.083
+ 5553TIP3    H222969  -3.258  -2.183  -1.106
+ 5554TIP3   OH222970  -3.164  -2.150  -2.046
+ 5554TIP3    H122971  -3.124  -2.097  -2.119
+ 5554TIP3    H222972  -3.102  -2.121  -1.978
+ 5555TIP3   OH222973  -3.364  -0.935  -2.129
+ 5555TIP3    H122974  -3.449  -0.890  -2.115
+ 5555TIP3    H222975  -3.329  -0.887  -2.205
+ 5556TIP3   OH222976  -3.407  -1.957  -1.929
+ 5556TIP3    H122977  -3.320  -1.913  -1.919
+ 5556TIP3    H222978  -3.432  -1.975  -1.836
+ 5557TIP3   OH222979  -3.368  -1.873  -1.014
+ 5557TIP3    H122980  -3.362  -1.823  -0.931
+ 5557TIP3    H222981  -3.314  -1.951  -0.992
+ 5558TIP3   OH222982  -3.343  -2.261  -1.839
+ 5558TIP3    H122983  -3.361  -2.194  -1.772
+ 5558TIP3    H222984  -3.273  -2.218  -1.891
+ 5559TIP3   OH222985  -3.639  -0.829  -2.132
+ 5559TIP3    H122986  -3.655  -0.749  -2.186
+ 5559TIP3    H222987  -3.665  -0.797  -2.043
+ 5560TIP3   OH222988  -3.774  -2.162  -2.176
+ 5560TIP3    H122989  -3.766  -2.081  -2.124
+ 5560TIP3    H222990  -3.691  -2.208  -2.151
+ 5561TIP3   OH222991  -2.741  -2.070  -0.926
+ 5561TIP3    H122992  -2.837  -2.063  -0.942
+ 5561TIP3    H222993  -2.714  -2.094  -1.016
+ 5562TIP3   OH222994  -3.934  -1.077  -2.274
+ 5562TIP3    H122995  -3.859  -1.033  -2.234
+ 5562TIP3    H222996  -3.889  -1.124  -2.347
+ 5563TIP3   OH222997  -4.119  -1.862  -2.352
+ 5563TIP3    H122998  -4.104  -1.767  -2.342
+ 5563TIP3    H222999  -4.191  -1.866  -2.416
+ 5564TIP3   OH223000  -2.751  -0.802  -1.362
+ 5564TIP3    H123001  -2.782  -0.728  -1.418
+ 5564TIP3    H223002  -2.662  -0.773  -1.339
+ 5565TIP3   OH223003  -4.025  -2.363  -1.489
+ 5565TIP3    H123004  -4.058  -2.363  -1.581
+ 5565TIP3    H223005  -4.070  -2.441  -1.451
+ 5566TIP3   OH223006  -4.141  -0.983  -1.886
+ 5566TIP3    H123007  -4.227  -0.939  -1.871
+ 5566TIP3    H223008  -4.100  -0.927  -1.952
+ 5567TIP3   OH223009  -4.213  -0.720  -0.737
+ 5567TIP3    H123010  -4.151  -0.721  -0.663
+ 5567TIP3    H223011  -4.219  -0.815  -0.753
+ 5568TIP3   OH223012  -3.736  -0.810  -0.566
+ 5568TIP3    H123013  -3.661  -0.866  -0.541
+ 5568TIP3    H223014  -3.749  -0.835  -0.659
+ 5569TIP3   OH223015  -3.310  -0.882  -2.418
+ 5569TIP3    H123016  -3.393  -0.936  -2.418
+ 5569TIP3    H223017  -3.249  -0.951  -2.446
+ 5570TIP3   OH223018  -2.866  -0.894  -2.410
+ 5570TIP3    H123019  -2.852  -0.971  -2.352
+ 5570TIP3    H223020  -2.779  -0.884  -2.451
+ 5571TIP3   OH223021  -4.197  -1.315  -0.678
+ 5571TIP3    H123022  -4.191  -1.405  -0.712
+ 5571TIP3    H223023  -4.285  -1.287  -0.709
+ 5572TIP3   OH223024  -3.784  -1.308  -2.414
+ 5572TIP3    H123025  -3.753  -1.375  -2.351
+ 5572TIP3    H223026  -3.710  -1.299  -2.475
+ 5573TIP3   OH223027  -3.545  -1.331  -0.691
+ 5573TIP3    H123028  -3.562  -1.291  -0.778
+ 5573TIP3    H223029  -3.528  -1.425  -0.713
+ 5574TIP3   OH223030  -3.237  -1.173  -2.474
+ 5574TIP3    H123031  -3.265  -1.172  -2.381
+ 5574TIP3    H223032  -3.257  -1.267  -2.494
+ 5575TIP3   OH223033  -2.972  -1.304  -0.932
+ 5575TIP3    H123034  -2.911  -1.296  -1.007
+ 5575TIP3    H223035  -3.056  -1.273  -0.968
+ 5576TIP3   OH223036  -4.132  -1.640  -0.698
+ 5576TIP3    H123037  -4.055  -1.699  -0.709
+ 5576TIP3    H223038  -4.128  -1.620  -0.604
+ 5577TIP3   OH223039  -3.669  -1.503  -2.191
+ 5577TIP3    H123040  -3.735  -1.550  -2.138
+ 5577TIP3    H223041  -3.643  -1.571  -2.256
+ 5578TIP3   OH223042  -3.750  -1.721  -0.966
+ 5578TIP3    H123043  -3.806  -1.642  -0.955
+ 5578TIP3    H223044  -3.686  -1.689  -1.033
+ 5579TIP3   OH223045  -3.576  -1.699  -2.371
+ 5579TIP3    H123046  -3.579  -1.687  -2.468
+ 5579TIP3    H223047  -3.480  -1.696  -2.355
+ 5580TIP3   OH223048  -3.219  -1.450  -0.612
+ 5580TIP3    H123049  -3.130  -1.467  -0.646
+ 5580TIP3    H223050  -3.243  -1.538  -0.580
+ 5581TIP3   OH223051  -2.636  -1.446  -2.435
+ 5581TIP3    H123052  -2.637  -1.492  -2.521
+ 5581TIP3    H223053  -2.631  -1.353  -2.462
+ 5582TIP3   OH223054  -3.693  -1.994  -0.855
+ 5582TIP3    H123055  -3.683  -2.060  -0.927
+ 5582TIP3    H223056  -3.710  -1.913  -0.906
+ 5583TIP3   OH223057  -3.657  -2.144  -1.111
+ 5583TIP3    H123058  -3.605  -2.095  -1.178
+ 5583TIP3    H223059  -3.747  -2.143  -1.148
+ 5584TIP3   OH223060  -3.501  -1.601  -1.069
+ 5584TIP3    H123061  -3.418  -1.610  -1.119
+ 5584TIP3    H223062  -3.533  -1.515  -1.102
+ 5585TIP3   OH223063  -3.042  -1.807  -0.592
+ 5585TIP3    H123064  -3.022  -1.901  -0.580
+ 5585TIP3    H223065  -2.951  -1.771  -0.593
+ 5586TIP3   OH223066  -2.955  -1.524  -0.758
+ 5586TIP3    H123067  -2.968  -1.446  -0.816
+ 5586TIP3    H223068  -2.861  -1.545  -0.777
+ 5587TIP3   OH223069  -3.876  -1.804  -0.677
+ 5587TIP3    H123070  -3.929  -1.886  -0.678
+ 5587TIP3    H223071  -3.797  -1.832  -0.725
+ 5588TIP3   OH223072  -3.587  -2.413  -1.075
+ 5588TIP3    H123073  -3.602  -2.318  -1.092
+ 5588TIP3    H223074  -3.656  -2.455  -1.130
+ 5589TIP3   OH223075  -3.460  -1.952  -0.695
+ 5589TIP3    H123076  -3.490  -1.982  -0.608
+ 5589TIP3    H223077  -3.539  -1.974  -0.749
+ 5590TIP3   OH223078  -3.204  -2.050  -0.809
+ 5590TIP3    H123079  -3.292  -2.051  -0.767
+ 5590TIP3    H223080  -3.155  -2.114  -0.753
+ 5591TIP3   OH223081  -3.029  -2.202  -0.641
+ 5591TIP3    H123082  -3.034  -2.298  -0.624
+ 5591TIP3    H223083  -3.037  -2.163  -0.552
+ 5592TIP3   OH223084  -4.012  -2.059  -0.694
+ 5592TIP3    H123085  -4.015  -2.131  -0.759
+ 5592TIP3    H223086  -4.032  -2.106  -0.611
+ 5593TIP3   OH223087  -3.600  -2.465  -0.794
+ 5593TIP3    H123088  -3.541  -2.542  -0.789
+ 5593TIP3    H223089  -3.602  -2.450  -0.891
+ 5594TIP3   OH223090  -3.506  -2.277  -0.610
+ 5594TIP3    H123091  -3.533  -2.338  -0.682
+ 5594TIP3    H223092  -3.579  -2.214  -0.608
+ 5595TIP3   OH223093  -3.599  -0.568  -2.257
+ 5595TIP3    H123094  -3.503  -0.563  -2.250
+ 5595TIP3    H223095  -3.612  -0.538  -2.348
+ 5596TIP3   OH223096  -4.208  -1.087  -2.351
+ 5596TIP3    H123097  -4.121  -1.082  -2.308
+ 5596TIP3    H223098  -4.204  -1.173  -2.396
+ 5597TIP3   OH223099  -4.274  -0.810  -1.641
+ 5597TIP3    H123100  -4.279  -0.898  -1.599
+ 5597TIP3    H223101  -4.243  -0.756  -1.567
+ 5598TIP3   OH223102  -2.723  -1.156  -0.601
+ 5598TIP3    H123103  -2.774  -1.185  -0.523
+ 5598TIP3    H223104  -2.644  -1.115  -0.562
+ 5599TIP3   OH223105  -2.583  -1.318  -2.039
+ 5599TIP3    H123106  -2.495  -1.282  -2.018
+ 5599TIP3    H223107  -2.598  -1.378  -1.963
+ 5600TIP3   OH223108  -2.569  -1.540  -1.821
+ 5600TIP3    H123109  -2.588  -1.618  -1.768
+ 5600TIP3    H223110  -2.488  -1.508  -1.777
+ 5601TIP3   OH223111  -2.567  -1.263  -1.349
+ 5601TIP3    H123112  -2.499  -1.314  -1.395
+ 5601TIP3    H223113  -2.547  -1.172  -1.377
+ 5602TIP3   OH223114  -2.711  -1.028  -1.081
+ 5602TIP3    H123115  -2.741  -0.937  -1.071
+ 5602TIP3    H223116  -2.726  -1.044  -1.175
+ 5603TIP3   OH223117  -2.507  -1.561  -2.185
+ 5603TIP3    H123118  -2.567  -1.552  -2.261
+ 5603TIP3    H223119  -2.530  -1.481  -2.134
+ 5604TIP3   OH223120  -2.670  -1.797  -2.377
+ 5604TIP3    H123121  -2.650  -1.755  -2.461
+ 5604TIP3    H223122  -2.707  -1.883  -2.403
+ 5605TIP3   OH223123  -4.256  -1.448  -1.368
+ 5605TIP3    H123124  -4.226  -1.429  -1.459
+ 5605TIP3    H223125  -4.175  -1.491  -1.331
+ 5606TIP3   OH223126  -2.675  -1.487  -0.840
+ 5606TIP3    H123127  -2.612  -1.562  -0.837
+ 5606TIP3    H223128  -2.614  -1.412  -0.856
+ 5607TIP3   OH223129  -2.531  -1.704  -0.739
+ 5607TIP3    H123130  -2.607  -1.763  -0.757
+ 5607TIP3    H223131  -2.456  -1.766  -0.733
+ 5608TIP3   OH223132  -2.731  -2.099  -2.476
+ 5608TIP3    H123133  -2.685  -2.119  -2.393
+ 5608TIP3    H223134  -2.824  -2.118  -2.454
+ 5609TIP3   OH223135  -2.740  -1.852  -1.443
+ 5609TIP3    H123136  -2.644  -1.857  -1.421
+ 5609TIP3    H223137  -2.776  -1.864  -1.354
+ 5610TIP3   OH223138  -2.717  -1.824  -1.122
+ 5610TIP3    H123139  -2.803  -1.784  -1.098
+ 5610TIP3    H223140  -2.664  -1.746  -1.148
+ 5611TIP3   OH223141  -4.284  -1.954  -0.752
+ 5611TIP3    H123142  -4.196  -1.994  -0.762
+ 5611TIP3    H223143  -4.343  -2.029  -0.742
+ 5612TIP3   OH223144  -2.460  -2.406  -0.590
+ 5612TIP3    H123145  -2.421  -2.471  -0.651
+ 5612TIP3    H223146  -2.461  -2.326  -0.646
+ 5613TIP3   OH223147  -2.697  -2.207  -1.928
+ 5613TIP3    H123148  -2.709  -2.253  -1.843
+ 5613TIP3    H223149  -2.781  -2.223  -1.974
+ 5614TIP3   OH223150  -4.195  -2.102  -1.439
+ 5614TIP3    H123151  -4.159  -2.191  -1.446
+ 5614TIP3    H223152  -4.115  -2.047  -1.426
+ 5615TIP3   OH223153  -4.332  -1.837  -1.358
+ 5615TIP3    H123154  -4.295  -1.889  -1.431
+ 5615TIP3    H223155  -4.317  -1.747  -1.389
+ 5616TIP3   OH223156  -2.523  -2.197  -0.765
+ 5616TIP3    H123157  -2.611  -2.155  -0.760
+ 5616TIP3    H223158  -2.534  -2.250  -0.847
+ 5617TIP3   OH223159  -2.517  -2.177  -2.289
+ 5617TIP3    H123160  -2.485  -2.261  -2.327
+ 5617TIP3    H223161  -2.434  -2.129  -2.273
+ 5618TIP3   OH223162  -4.314  -2.227  -2.009
+ 5618TIP3    H123163  -4.399  -2.198  -2.046
+ 5618TIP3    H223164  -4.256  -2.154  -2.040
+ 5619TIP3   OH223165  -2.828  -0.692  -1.751
+ 5619TIP3    H123166  -2.784  -0.711  -1.835
+ 5619TIP3    H223167  -2.765  -0.632  -1.709
+ 5620TIP3   OH223168  -4.291  -2.330  -1.171
+ 5620TIP3    H123169  -4.360  -2.339  -1.101
+ 5620TIP3    H223170  -4.335  -2.282  -1.243
+ 5621TIP3   OH223171  -4.116  -0.984  -0.692
+ 5621TIP3    H123172  -4.168  -1.039  -0.752
+ 5621TIP3    H223173  -4.145  -1.015  -0.604
+ 5622TIP3   OH223174  -3.802  -0.908  -1.109
+ 5622TIP3    H123175  -3.833  -0.826  -1.151
+ 5622TIP3    H223176  -3.706  -0.902  -1.129
+ 5623TIP3   OH223177  -3.351  -0.784  -0.816
+ 5623TIP3    H123178  -3.336  -0.799  -0.720
+ 5623TIP3    H223179  -3.272  -0.731  -0.840
+ 5624TIP3   OH223180  -3.127  -0.637  -0.886
+ 5624TIP3    H123181  -3.054  -0.694  -0.915
+ 5624TIP3    H223182  -3.091  -0.600  -0.803
+ 5625TIP3   OH223183  -2.642  -2.377  -0.967
+ 5625TIP3    H123184  -2.721  -2.361  -1.021
+ 5625TIP3    H223185  -2.616  -2.466  -1.000
+ 5626TIP3   OH223186  -4.069  -0.607  -1.087
+ 5626TIP3    H123187  -4.137  -0.558  -1.138
+ 5626TIP3    H223188  -4.102  -0.596  -0.997
+ 5627TIP3   OH223189  -3.817  -0.639  -1.223
+ 5627TIP3    H123190  -3.904  -0.620  -1.183
+ 5627TIP3    H223191  -3.815  -0.575  -1.296
+ 5628TIP3   OH223192  -3.338  -0.642  -1.269
+ 5628TIP3    H123193  -3.378  -0.599  -1.347
+ 5628TIP3    H223194  -3.332  -0.566  -1.207
+ 5629TIP3   OH223195  -3.099  -0.765  -1.176
+ 5629TIP3    H123196  -3.183  -0.729  -1.210
+ 5629TIP3    H223197  -3.042  -0.686  -1.177
+ 5630TIP3   OH223198  -2.857  -0.598  -1.142
+ 5630TIP3    H123199  -2.838  -0.502  -1.146
+ 5630TIP3    H223200  -2.814  -0.629  -1.223
+ 5631TIP3   OH223201  -4.126  -0.731  -1.389
+ 5631TIP3    H123202  -4.133  -0.778  -1.303
+ 5631TIP3    H223203  -4.051  -0.779  -1.430
+ 5632TIP3   OH223204  -3.913  -0.859  -1.527
+ 5632TIP3    H123205  -3.925  -0.954  -1.506
+ 5632TIP3    H223206  -3.819  -0.844  -1.505
+ 5633TIP3   OH223207  -3.627  -0.814  -1.454
+ 5633TIP3    H123208  -3.611  -0.907  -1.478
+ 5633TIP3    H223209  -3.626  -0.820  -1.357
+ 5634TIP3   OH223210  -3.299  -2.226  -1.527
+ 5634TIP3    H123211  -3.366  -2.295  -1.510
+ 5634TIP3    H223212  -3.236  -2.273  -1.583
+ 5635TIP3   OH223213  -2.804  -2.414  -1.473
+ 5635TIP3    H123214  -2.723  -2.383  -1.517
+ 5635TIP3    H223215  -2.873  -2.397  -1.538
+ 5636TIP3   OH223216  -2.591  -2.315  -1.679
+ 5636TIP3    H123217  -2.525  -2.358  -1.737
+ 5636TIP3    H223218  -2.560  -2.223  -1.680
+ 5637TIP3   OH223219  -4.108  -2.369  -1.768
+ 5637TIP3    H123220  -4.180  -2.397  -1.826
+ 5637TIP3    H223221  -4.045  -2.443  -1.781
+ 5638TIP3   OH223222  -4.182  -2.409  -2.189
+ 5638TIP3    H123223  -4.130  -2.342  -2.238
+ 5638TIP3    H223224  -4.233  -2.352  -2.128
+ 5639TIP3   OH223225  -3.615  -2.373  -1.778
+ 5639TIP3    H123226  -3.525  -2.343  -1.797
+ 5639TIP3    H223227  -3.613  -2.383  -1.682
+ 5640TIP3   OH223228  -3.058  -2.365  -1.643
+ 5640TIP3    H123229  -3.027  -2.385  -1.732
+ 5640TIP3    H223230  -3.091  -2.453  -1.615
+ 5641TIP3   OH223231  -2.948  -2.362  -2.028
+ 5641TIP3    H123232  -3.023  -2.313  -2.065
+ 5641TIP3    H223233  -2.982  -2.453  -2.026
+ 5642TIP3   OH223234  -4.006  -2.220  -2.334
+ 5642TIP3    H123235  -3.947  -2.278  -2.386
+ 5642TIP3    H223236  -3.944  -2.190  -2.265
+ 5643TIP3   OH223237  -3.507  -2.207  -2.074
+ 5643TIP3    H123238  -3.463  -2.263  -2.008
+ 5643TIP3    H223239  -3.477  -2.119  -2.046
+ 5644TIP3   OH223240  -3.294  -0.628  -2.253
+ 5644TIP3    H123241  -3.197  -0.627  -2.255
+ 5644TIP3    H223242  -3.312  -0.694  -2.322
+ 5645TIP3   OH223243  -2.642  -0.720  -1.990
+ 5645TIP3    H123244  -2.665  -0.803  -2.037
+ 5645TIP3    H223245  -2.646  -0.655  -2.063
+ 5646TIP3   OH223246  -4.079  -2.330  -0.817
+ 5646TIP3    H123247  -4.124  -2.406  -0.777
+ 5646TIP3    H223248  -3.987  -2.345  -0.788
+ 5647TIP3   OH223249  -3.843  -2.392  -0.641
+ 5647TIP3    H123250  -3.761  -2.428  -0.682
+ 5647TIP3    H223251  -3.877  -2.471  -0.596
+ 5648TIP3   OH223252  -4.011  -0.708  -2.402
+ 5648TIP3    H123253  -4.045  -0.692  -2.311
+ 5648TIP3    H223254  -3.946  -0.777  -2.384
+ 5649TIP3   OH223255  -3.030  -2.482  -0.623
+ 5649TIP3    H123256  -3.026  -2.525  -0.536
+ 5649TIP3    H223257  -2.937  -2.487  -0.651
+ 5650TIP3   OH223258  -2.680  -0.861  -0.756
+ 5650TIP3    H123259  -2.715  -0.858  -0.845
+ 5650TIP3    H223260  -2.657  -0.768  -0.742
+ 5651TIP3   OH223261  -1.257  -1.477  -1.755
+ 5651TIP3    H123262  -1.275  -1.388  -1.722
+ 5651TIP3    H223263  -1.346  -1.503  -1.784
+ 5652TIP3   OH223264  -2.138  -1.588  -1.269
+ 5652TIP3    H123265  -2.140  -1.659  -1.203
+ 5652TIP3    H223266  -2.070  -1.530  -1.232
+ 5653TIP3   OH223267  -2.049  -1.118  -1.411
+ 5653TIP3    H123268  -2.083  -1.207  -1.431
+ 5653TIP3    H223269  -1.962  -1.140  -1.375
+ 5654TIP3   OH223270  -2.389  -1.780  -1.873
+ 5654TIP3    H123271  -2.412  -1.688  -1.885
+ 5654TIP3    H223272  -2.445  -1.825  -1.939
+ 5655TIP3   OH223273  -2.311  -1.530  -1.707
+ 5655TIP3    H123274  -2.293  -1.607  -1.650
+ 5655TIP3    H223275  -2.223  -1.508  -1.738
+ 5656TIP3   OH223276  -1.190  -1.849  -1.327
+ 5656TIP3    H123277  -1.196  -1.946  -1.326
+ 5656TIP3    H223278  -1.210  -1.826  -1.419
+ 5657TIP3   OH223279  -1.911  -2.052  -1.619
+ 5657TIP3    H123280  -1.900  -1.966  -1.664
+ 5657TIP3    H223281  -1.948  -2.104  -1.692
+ 5658TIP3   OH223282  -1.101  -2.066  -1.795
+ 5658TIP3    H123283  -1.065  -2.059  -1.705
+ 5658TIP3    H223284  -1.079  -1.980  -1.832
+ 5659TIP3   OH223285  -2.246  -1.779  -1.566
+ 5659TIP3    H123286  -2.181  -1.824  -1.509
+ 5659TIP3    H223287  -2.234  -1.828  -1.650
+ 5660TIP3   OH223288  -1.712  -1.641  -1.610
+ 5660TIP3    H123289  -1.636  -1.690  -1.571
+ 5660TIP3    H223290  -1.758  -1.712  -1.659
+ 5661TIP3   OH223291  -2.047  -2.164  -1.181
+ 5661TIP3    H123292  -2.082  -2.114  -1.256
+ 5661TIP3    H223293  -2.115  -2.150  -1.115
+ 5662TIP3   OH223294  -1.275  -1.187  -1.863
+ 5662TIP3    H123295  -1.318  -1.221  -1.942
+ 5662TIP3    H223296  -1.331  -1.110  -1.842
+ 5663TIP3   OH223297  -0.929  -2.129  -1.567
+ 5663TIP3    H123298  -0.986  -2.153  -1.492
+ 5663TIP3    H223299  -0.882  -2.054  -1.527
+ 5664TIP3   OH223300  -2.073  -1.968  -1.407
+ 5664TIP3    H123301  -2.009  -1.910  -1.360
+ 5664TIP3    H223302  -2.014  -2.006  -1.476
+ 5665TIP3   OH223303  -2.313  -1.221  -2.025
+ 5665TIP3    H123304  -2.329  -1.173  -2.108
+ 5665TIP3    H223305  -2.290  -1.149  -1.962
+ 5666TIP3   OH223306  -1.622  -2.419  -1.495
+ 5666TIP3    H123307  -1.643  -2.514  -1.496
+ 5666TIP3    H223308  -1.703  -2.382  -1.454
+ 5667TIP3   OH223309  -1.161  -0.881  -1.710
+ 5667TIP3    H123310  -1.094  -0.951  -1.713
+ 5667TIP3    H223311  -1.106  -0.805  -1.685
+ 5668TIP3   OH223312  -0.978  -1.111  -1.824
+ 5668TIP3    H123313  -1.042  -1.140  -1.892
+ 5668TIP3    H223314  -1.014  -1.150  -1.745
+ 5669TIP3   OH223315  -1.412  -1.535  -2.016
+ 5669TIP3    H123316  -1.477  -1.470  -2.048
+ 5669TIP3    H223317  -1.341  -1.525  -2.082
+ 5670TIP3   OH223318  -1.380  -1.711  -2.309
+ 5670TIP3    H123319  -1.311  -1.679  -2.249
+ 5670TIP3    H223320  -1.328  -1.767  -2.369
+ 5671TIP3   OH223321  -1.044  -1.549  -1.909
+ 5671TIP3    H123322  -1.119  -1.514  -1.854
+ 5671TIP3    H223323  -1.014  -1.621  -1.853
+ 5672TIP3   OH223324  -1.900  -1.454  -1.731
+ 5672TIP3    H123325  -1.928  -1.500  -1.812
+ 5672TIP3    H223326  -1.835  -1.516  -1.693
+ 5673TIP3   OH223327  -1.834  -1.535  -1.370
+ 5673TIP3    H123328  -1.778  -1.554  -1.446
+ 5673TIP3    H223329  -1.770  -1.505  -1.304
+ 5674TIP3   OH223330  -1.159  -1.590  -2.160
+ 5674TIP3    H123331  -1.110  -1.563  -2.080
+ 5674TIP3    H223332  -1.112  -1.537  -2.229
+ 5675TIP3   OH223333  -2.057  -1.498  -0.989
+ 5675TIP3    H123334  -2.053  -1.444  -0.907
+ 5675TIP3    H223335  -2.153  -1.507  -0.997
+ 5676TIP3   OH223336  -1.433  -0.926  -1.792
+ 5676TIP3    H123337  -1.356  -0.897  -1.740
+ 5676TIP3    H223338  -1.469  -0.842  -1.826
+ 5677TIP3   OH223339  -0.831  -2.405  -2.186
+ 5677TIP3    H123340  -0.925  -2.388  -2.170
+ 5677TIP3    H223341  -0.794  -2.318  -2.207
+ 5678TIP3   OH223342  -2.005  -1.579  -1.978
+ 5678TIP3    H123343  -2.027  -1.502  -2.033
+ 5678TIP3    H223344  -2.071  -1.643  -2.005
+ 5679TIP3   OH223345  -0.677  -0.997  -2.350
+ 5679TIP3    H123346  -0.663  -0.903  -2.329
+ 5679TIP3    H223347  -0.588  -1.034  -2.335
+ 5680TIP3   OH223348  -2.375  -1.295  -1.112
+ 5680TIP3    H123349  -2.436  -1.306  -1.186
+ 5680TIP3    H223350  -2.366  -1.384  -1.075
+ 5681TIP3   OH223351  -2.393  -1.016  -1.405
+ 5681TIP3    H123352  -2.301  -1.047  -1.396
+ 5681TIP3    H223353  -2.398  -0.952  -1.333
+ 5682TIP3   OH223354  -1.460  -0.622  -1.947
+ 5682TIP3    H123355  -1.463  -0.635  -2.043
+ 5682TIP3    H223356  -1.439  -0.529  -1.940
+ 5683TIP3   OH223357  -2.075  -0.731  -1.796
+ 5683TIP3    H123358  -2.074  -0.758  -1.703
+ 5683TIP3    H223359  -2.168  -0.741  -1.820
+ 5684TIP3   OH223360  -1.138  -0.711  -2.243
+ 5684TIP3    H123361  -1.076  -0.775  -2.282
+ 5684TIP3    H223362  -1.141  -0.742  -2.149
+ 5685TIP3   OH223363  -1.196  -0.769  -1.966
+ 5685TIP3    H123364  -1.285  -0.742  -1.940
+ 5685TIP3    H223365  -1.171  -0.826  -1.890
+ 5686TIP3   OH223366  -1.865  -2.299  -1.396
+ 5686TIP3    H123367  -1.948  -2.309  -1.446
+ 5686TIP3    H223368  -1.890  -2.228  -1.335
+ 5687TIP3   OH223369  -1.416  -2.366  -1.042
+ 5687TIP3    H123370  -1.366  -2.408  -0.969
+ 5687TIP3    H223371  -1.509  -2.383  -1.015
+ 5688TIP3   OH223372  -1.007  -1.480  -2.359
+ 5688TIP3    H123373  -1.029  -1.494  -2.453
+ 5688TIP3    H223374  -0.914  -1.452  -2.366
+ 5689TIP3   OH223375  -1.443  -2.101  -2.308
+ 5689TIP3    H123376  -1.497  -2.115  -2.229
+ 5689TIP3    H223377  -1.483  -2.166  -2.368
+ 5690TIP3   OH223378  -1.879  -1.826  -1.262
+ 5690TIP3    H123379  -1.929  -1.822  -1.178
+ 5690TIP3    H223380  -1.872  -1.731  -1.286
+ 5691TIP3   OH223381  -1.881  -1.822  -1.774
+ 5691TIP3    H123382  -1.977  -1.831  -1.789
+ 5691TIP3    H223383  -1.847  -1.842  -1.864
+ 5692TIP3   OH223384  -1.322  -1.768  -1.896
+ 5692TIP3    H123385  -1.366  -1.686  -1.927
+ 5692TIP3    H223386  -1.253  -1.779  -1.963
+ 5693TIP3   OH223387  -1.220  -1.806  -1.612
+ 5693TIP3    H123388  -1.249  -1.742  -1.679
+ 5693TIP3    H223389  -1.217  -1.887  -1.663
+ 5694TIP3   OH223390  -2.143  -1.831  -1.076
+ 5694TIP3    H123391  -2.115  -1.797  -0.990
+ 5694TIP3    H223392  -2.204  -1.902  -1.051
+ 5695TIP3   OH223393  -1.800  -2.053  -2.422
+ 5695TIP3    H123394  -1.836  -2.088  -2.338
+ 5695TIP3    H223395  -1.881  -2.042  -2.475
+ 5696TIP3   OH223396  -2.459  -2.061  -1.710
+ 5696TIP3    H123397  -2.395  -2.070  -1.637
+ 5696TIP3    H223398  -2.414  -2.101  -1.785
+ 5697TIP3   OH223399  -2.299  -2.022  -2.142
+ 5697TIP3    H123400  -2.246  -1.972  -2.208
+ 5697TIP3    H223401  -2.373  -1.960  -2.126
+ 5698TIP3   OH223402  -1.346  -1.669  -1.140
+ 5698TIP3    H123403  -1.274  -1.695  -1.200
+ 5698TIP3    H223404  -1.351  -1.745  -1.080
+ 5699TIP3   OH223405  -1.602  -2.065  -1.668
+ 5699TIP3    H123406  -1.698  -2.064  -1.649
+ 5699TIP3    H223407  -1.566  -2.078  -1.579
+ 5700TIP3   OH223408  -2.146  -1.937  -1.806
+ 5700TIP3    H123409  -2.232  -1.917  -1.847
+ 5700TIP3    H223410  -2.119  -2.019  -1.852
+ 5701TIP3   OH223411  -1.782  -1.908  -2.037
+ 5701TIP3    H123412  -1.686  -1.892  -2.034
+ 5701TIP3    H223413  -1.813  -1.848  -2.108
+ 5702TIP3   OH223414  -1.161  -2.167  -1.366
+ 5702TIP3    H123415  -1.206  -2.150  -1.280
+ 5702TIP3    H223416  -1.239  -2.189  -1.421
+ 5703TIP3   OH223417  -1.939  -1.782  -2.257
+ 5703TIP3    H123418  -2.000  -1.812  -2.327
+ 5703TIP3    H223419  -1.859  -1.763  -2.308
+ 5704TIP3   OH223420  -2.066  -1.347  -0.750
+ 5704TIP3    H123421  -2.003  -1.329  -0.677
+ 5704TIP3    H223422  -2.147  -1.313  -0.710
+ 5705TIP3   OH223423  -1.506  -1.804  -1.491
+ 5705TIP3    H123424  -1.429  -1.846  -1.531
+ 5705TIP3    H223425  -1.509  -1.847  -1.403
+ 5706TIP3   OH223426  -1.974  -2.167  -1.874
+ 5706TIP3    H123427  -2.033  -2.244  -1.857
+ 5706TIP3    H223428  -1.894  -2.210  -1.907
+ 5707TIP3   OH223429  -1.592  -1.952  -1.256
+ 5707TIP3    H123430  -1.673  -1.898  -1.251
+ 5707TIP3    H223431  -1.545  -1.931  -1.175
+ 5708TIP3   OH223432  -1.590  -1.326  -2.076
+ 5708TIP3    H123433  -1.667  -1.375  -2.111
+ 5708TIP3    H223434  -1.613  -1.316  -1.980
+ 5709TIP3   OH223435  -1.176  -2.036  -2.297
+ 5709TIP3    H123436  -1.274  -2.041  -2.299
+ 5709TIP3    H223437  -1.158  -1.967  -2.231
+ 5710TIP3   OH223438  -1.096  -1.859  -2.082
+ 5710TIP3    H123439  -1.004  -1.867  -2.051
+ 5710TIP3    H223440  -1.096  -1.772  -2.127
+ 5711TIP3   OH223441  -2.088  -1.394  -1.499
+ 5711TIP3    H123442  -2.022  -1.397  -1.570
+ 5711TIP3    H223443  -2.066  -1.473  -1.448
+ 5712TIP3   OH223444  -1.353  -1.187  -2.184
+ 5712TIP3    H123445  -1.375  -1.102  -2.142
+ 5712TIP3    H223446  -1.428  -1.242  -2.154
+ 5713TIP3   OH223447  -2.353  -1.560  -0.965
+ 5713TIP3    H123448  -2.334  -1.601  -0.878
+ 5713TIP3    H223449  -2.415  -1.623  -1.005
+ 5714TIP3   OH223450  -0.650  -1.858  -2.102
+ 5714TIP3    H123451  -0.698  -1.867  -2.186
+ 5714TIP3    H223452  -0.626  -1.764  -2.107
+ 5715TIP3   OH223453  -0.824  -0.979  -2.089
+ 5715TIP3    H123454  -0.851  -1.059  -2.040
+ 5715TIP3    H223455  -0.778  -1.015  -2.166
+ 5716TIP3   OH223456  -1.836  -1.055  -1.762
+ 5716TIP3    H123457  -1.795  -0.968  -1.767
+ 5716TIP3    H223458  -1.929  -1.034  -1.776
+ 5717TIP3   OH223459  -2.245  -1.569  -2.313
+ 5717TIP3    H123460  -2.187  -1.505  -2.269
+ 5717TIP3    H223461  -2.331  -1.550  -2.270
+ 5718TIP3   OH223462  -1.659  -1.285  -1.812
+ 5718TIP3    H123463  -1.686  -1.195  -1.786
+ 5718TIP3    H223464  -1.724  -1.336  -1.761
+ 5719TIP3   OH223465  -1.806  -0.749  -1.849
+ 5719TIP3    H123466  -1.903  -0.739  -1.835
+ 5719TIP3    H223467  -1.771  -0.673  -1.801
+ 5720TIP3   OH223468  -1.080  -1.158  -2.318
+ 5720TIP3    H123469  -1.040  -1.203  -2.241
+ 5720TIP3    H223470  -1.174  -1.170  -2.295
+ 5721TIP3   OH223471  -0.604  -0.728  -2.266
+ 5721TIP3    H123472  -0.549  -0.660  -2.307
+ 5721TIP3    H223473  -0.684  -0.676  -2.250
+ 5722TIP3   OH223474  -0.978  -1.291  -2.078
+ 5722TIP3    H123475  -1.010  -1.365  -2.024
+ 5722TIP3    H223476  -0.882  -1.295  -2.061
+ 5723TIP3   OH223477  -1.659  -1.051  -2.464
+ 5723TIP3    H123478  -1.630  -1.131  -2.511
+ 5723TIP3    H223479  -1.701  -1.090  -2.385
+ 5724TIP3   OH223480  -1.773  -1.098  -2.193
+ 5724TIP3    H123481  -1.726  -1.151  -2.127
+ 5724TIP3    H223482  -1.760  -1.007  -2.158
+ 5725TIP3   OH223483  -2.095  -1.354  -2.154
+ 5725TIP3    H123484  -2.164  -1.315  -2.097
+ 5725TIP3    H223485  -2.045  -1.275  -2.179
+ 5726TIP3   OH223486  -1.304  -2.086  -1.126
+ 5726TIP3    H123487  -1.260  -2.068  -1.042
+ 5726TIP3    H223488  -1.372  -2.151  -1.098
+ 5727TIP3   OH223489  -1.240  -2.183  -2.019
+ 5727TIP3    H123490  -1.241  -2.133  -2.102
+ 5727TIP3    H223491  -1.204  -2.119  -1.955
+ 5728TIP3   OH223492  -1.480  -0.931  -2.124
+ 5728TIP3    H123493  -1.565  -0.886  -2.112
+ 5728TIP3    H223494  -1.444  -0.886  -2.201
+ 5729TIP3   OH223495  -1.508  -1.975  -1.926
+ 5729TIP3    H123496  -1.442  -1.903  -1.914
+ 5729TIP3    H223497  -1.547  -1.982  -1.837
+ 5730TIP3   OH223498  -1.447  -2.264  -1.823
+ 5730TIP3    H123499  -1.481  -2.189  -1.771
+ 5730TIP3    H223500  -1.387  -2.220  -1.886
+ 5731TIP3   OH223501  -1.757  -0.827  -2.125
+ 5731TIP3    H123502  -1.768  -0.746  -2.178
+ 5731TIP3    H223503  -1.779  -0.795  -2.035
+ 5732TIP3   OH223504  -1.887  -2.161  -2.185
+ 5732TIP3    H123505  -1.888  -2.089  -2.120
+ 5732TIP3    H223506  -1.808  -2.212  -2.157
+ 5733TIP3   OH223507  -2.049  -1.074  -2.277
+ 5733TIP3    H123508  -1.977  -1.024  -2.235
+ 5733TIP3    H223509  -1.997  -1.125  -2.342
+ 5734TIP3   OH223510  -2.232  -1.855  -2.366
+ 5734TIP3    H123511  -2.223  -1.760  -2.343
+ 5734TIP3    H223512  -2.322  -1.859  -2.401
+ 5735TIP3   OH223513  -2.139  -2.352  -1.485
+ 5735TIP3    H123514  -2.160  -2.357  -1.580
+ 5735TIP3    H223515  -2.172  -2.438  -1.451
+ 5736TIP3   OH223516  -2.247  -1.001  -1.862
+ 5736TIP3    H123517  -2.317  -0.946  -1.826
+ 5736TIP3    H223518  -2.203  -0.940  -1.923
+ 5737TIP3   OH223519  -1.438  -0.881  -2.412
+ 5737TIP3    H123520  -1.513  -0.942  -2.422
+ 5737TIP3    H223521  -1.366  -0.935  -2.449
+ 5738TIP3   OH223522  -0.974  -0.893  -2.404
+ 5738TIP3    H123523  -0.959  -0.975  -2.354
+ 5738TIP3    H223524  -0.893  -0.886  -2.458
+ 5739TIP3   OH223525  -2.345  -1.317  -0.613
+ 5739TIP3    H123526  -2.322  -1.406  -0.643
+ 5739TIP3    H223527  -2.397  -1.281  -0.685
+ 5740TIP3   OH223528  -1.895  -1.308  -2.430
+ 5740TIP3    H123529  -1.879  -1.367  -2.354
+ 5740TIP3    H223530  -1.808  -1.311  -2.474
+ 5741TIP3   OH223531  -1.370  -1.174  -2.468
+ 5741TIP3    H123532  -1.375  -1.178  -2.371
+ 5741TIP3    H223533  -1.376  -1.270  -2.489
+ 5742TIP3   OH223534  -2.233  -1.651  -0.710
+ 5742TIP3    H123535  -2.187  -1.735  -0.697
+ 5742TIP3    H223536  -2.231  -1.617  -0.618
+ 5743TIP3   OH223537  -1.787  -1.498  -2.197
+ 5743TIP3    H123538  -1.847  -1.549  -2.139
+ 5743TIP3    H223539  -1.757  -1.568  -2.259
+ 5744TIP3   OH223540  -1.865  -1.707  -0.970
+ 5744TIP3    H123541  -1.916  -1.626  -0.956
+ 5744TIP3    H223542  -1.789  -1.675  -1.021
+ 5745TIP3   OH223543  -1.690  -1.698  -2.369
+ 5745TIP3    H123544  -1.695  -1.691  -2.466
+ 5745TIP3    H223545  -1.594  -1.701  -2.355
+ 5746TIP3   OH223546  -0.739  -1.445  -2.439
+ 5746TIP3    H123547  -0.749  -1.488  -2.525
+ 5746TIP3    H223548  -0.751  -1.350  -2.464
+ 5747TIP3   OH223549  -1.772  -2.146  -1.086
+ 5747TIP3    H123550  -1.727  -2.085  -1.146
+ 5747TIP3    H223551  -1.866  -2.136  -1.110
+ 5748TIP3   OH223552  -1.617  -1.573  -1.134
+ 5748TIP3    H123553  -1.524  -1.601  -1.141
+ 5748TIP3    H223554  -1.606  -1.485  -1.098
+ 5749TIP3   OH223555  -1.695  -2.407  -1.040
+ 5749TIP3    H123556  -1.722  -2.313  -1.048
+ 5749TIP3    H223557  -1.764  -2.452  -1.092
+ 5750TIP3   OH223558  -1.712  -0.564  -2.256
+ 5750TIP3    H123559  -1.616  -0.562  -2.249
+ 5750TIP3    H223560  -1.726  -0.526  -2.344
+ 5751TIP3   OH223561  -2.325  -1.137  -2.308
+ 5751TIP3    H123562  -2.230  -1.118  -2.293
+ 5751TIP3    H223563  -2.322  -1.213  -2.368
+ 5752TIP3   OH223564  -2.424  -0.606  -1.839
+ 5752TIP3    H123565  -2.490  -0.654  -1.892
+ 5752TIP3    H223566  -2.398  -0.672  -1.772
+ 5753TIP3   OH223567  -2.387  -0.808  -1.625
+ 5753TIP3    H123568  -2.409  -0.896  -1.592
+ 5753TIP3    H223569  -2.348  -0.770  -1.544
+ 5754TIP3   OH223570  -0.698  -1.332  -2.023
+ 5754TIP3    H123571  -0.611  -1.291  -2.010
+ 5754TIP3    H223572  -0.697  -1.401  -1.954
+ 5755TIP3   OH223573  -0.656  -1.532  -1.836
+ 5755TIP3    H123574  -0.709  -1.602  -1.799
+ 5755TIP3    H223575  -0.582  -1.523  -1.775
+ 5756TIP3   OH223576  -0.619  -1.563  -2.194
+ 5756TIP3    H123577  -0.672  -1.535  -2.271
+ 5756TIP3    H223578  -0.638  -1.491  -2.132
+ 5757TIP3   OH223579  -0.797  -1.814  -2.356
+ 5757TIP3    H123580  -0.774  -1.753  -2.428
+ 5757TIP3    H223581  -0.822  -1.895  -2.405
+ 5758TIP3   OH223582  -2.377  -1.482  -1.394
+ 5758TIP3    H123583  -2.346  -1.471  -1.486
+ 5758TIP3    H223584  -2.292  -1.501  -1.350
+ 5759TIP3   OH223585  -0.856  -2.077  -2.440
+ 5759TIP3    H123586  -0.796  -2.129  -2.385
+ 5759TIP3    H223587  -0.935  -2.132  -2.450
+ 5760TIP3   OH223588  -0.862  -1.937  -1.923
+ 5760TIP3    H123589  -0.847  -2.029  -1.943
+ 5760TIP3    H223590  -0.779  -1.896  -1.954
+ 5761TIP3   OH223591  -2.348  -1.951  -0.756
+ 5761TIP3    H123592  -2.264  -1.988  -0.730
+ 5761TIP3    H223593  -2.406  -2.029  -0.753
+ 5762TIP3   OH223594  -2.312  -2.109  -1.469
+ 5762TIP3    H123595  -2.269  -2.196  -1.461
+ 5762TIP3    H223596  -2.241  -2.051  -1.435
+ 5763TIP3   OH223597  -2.462  -1.831  -1.378
+ 5763TIP3    H123598  -2.393  -1.847  -1.444
+ 5763TIP3    H223599  -2.421  -1.760  -1.326
+ 5764TIP3   OH223600  -0.642  -2.188  -2.280
+ 5764TIP3    H123601  -0.601  -2.263  -2.325
+ 5764TIP3    H223602  -0.564  -2.133  -2.258
+ 5765TIP3   OH223603  -2.412  -2.211  -1.968
+ 5765TIP3    H123604  -2.509  -2.195  -1.975
+ 5765TIP3    H223605  -2.375  -2.146  -2.030
+ 5766TIP3   OH223606  -0.935  -0.687  -1.756
+ 5766TIP3    H123607  -0.875  -0.716  -1.827
+ 5766TIP3    H223608  -0.877  -0.638  -1.698
+ 5767TIP3   OH223609  -2.401  -2.312  -1.150
+ 5767TIP3    H123610  -2.469  -2.351  -1.093
+ 5767TIP3    H223611  -2.454  -2.276  -1.222
+ 5768TIP3   OH223612  -2.251  -0.735  -1.372
+ 5768TIP3    H123613  -2.210  -0.748  -1.286
+ 5768TIP3    H223614  -2.172  -0.728  -1.428
+ 5769TIP3   OH223615  -2.027  -0.859  -1.537
+ 5769TIP3    H123616  -2.039  -0.951  -1.507
+ 5769TIP3    H223617  -1.935  -0.843  -1.506
+ 5770TIP3   OH223618  -1.768  -0.834  -1.445
+ 5770TIP3    H123619  -1.699  -0.892  -1.477
+ 5770TIP3    H223620  -1.729  -0.802  -1.362
+ 5771TIP3   OH223621  -1.402  -2.231  -1.516
+ 5771TIP3    H123622  -1.479  -2.289  -1.501
+ 5771TIP3    H223623  -1.362  -2.273  -1.593
+ 5772TIP3   OH223624  -0.874  -2.428  -1.527
+ 5772TIP3    H123625  -0.809  -2.357  -1.538
+ 5772TIP3    H223626  -0.960  -2.383  -1.531
+ 5773TIP3   OH223627  -2.176  -2.355  -1.771
+ 5773TIP3    H123628  -2.263  -2.370  -1.813
+ 5773TIP3    H223629  -2.135  -2.443  -1.781
+ 5774TIP3   OH223630  -2.297  -2.406  -2.180
+ 5774TIP3    H123631  -2.246  -2.338  -2.229
+ 5774TIP3    H223632  -2.339  -2.353  -2.110
+ 5775TIP3   OH223633  -1.727  -2.368  -1.782
+ 5775TIP3    H123634  -1.632  -2.348  -1.788
+ 5775TIP3    H223635  -1.737  -2.379  -1.687
+ 5776TIP3   OH223636  -1.141  -2.379  -1.659
+ 5776TIP3    H123637  -1.192  -2.397  -1.739
+ 5776TIP3    H223638  -1.184  -2.443  -1.598
+ 5777TIP3   OH223639  -2.275  -0.807  -2.067
+ 5777TIP3    H123640  -2.342  -0.813  -2.137
+ 5777TIP3    H223641  -2.276  -0.712  -2.050
+ 5778TIP3   OH223642  -2.123  -2.222  -2.337
+ 5778TIP3    H123643  -2.063  -2.281  -2.386
+ 5778TIP3    H223644  -2.065  -2.190  -2.266
+ 5779TIP3   OH223645  -1.606  -2.205  -2.078
+ 5779TIP3    H123646  -1.587  -2.267  -2.006
+ 5779TIP3    H223647  -1.595  -2.120  -2.033
+ 5780TIP3   OH223648  -1.411  -0.626  -2.251
+ 5780TIP3    H123649  -1.313  -0.626  -2.251
+ 5780TIP3    H223650  -1.428  -0.696  -2.316
+ 5781TIP3   OH223651  -0.720  -0.723  -1.960
+ 5781TIP3    H123652  -0.749  -0.798  -2.013
+ 5781TIP3    H223653  -0.725  -0.649  -2.021
+ 5782TIP3   OH223654  -2.181  -2.319  -0.756
+ 5782TIP3    H123655  -2.220  -2.408  -0.765
+ 5782TIP3    H223656  -2.098  -2.329  -0.803
+ 5783TIP3   OH223657  -2.134  -0.717  -2.383
+ 5783TIP3    H123658  -2.158  -0.689  -2.294
+ 5783TIP3    H223659  -2.055  -0.772  -2.367
+ 5784TIP3   OH223660   1.221  -2.122  -1.295
+ 5784TIP3    H123661   1.229  -2.044  -1.240
+ 5784TIP3    H223662   1.278  -2.096  -1.370
+ 5785TIP3   OH223663   0.682  -1.848  -1.329
+ 5785TIP3    H123664   0.684  -1.944  -1.321
+ 5785TIP3    H223665   0.646  -1.837  -1.419
+ 5786TIP3   OH223666  -0.037  -2.051  -1.613
+ 5786TIP3    H123667  -0.013  -1.966  -1.656
+ 5786TIP3    H223668  -0.066  -2.102  -1.691
+ 5787TIP3   OH223669   0.757  -2.037  -1.793
+ 5787TIP3    H123670   0.809  -2.075  -1.719
+ 5787TIP3    H223671   0.824  -1.980  -1.833
+ 5788TIP3   OH223672  -0.152  -2.154  -1.216
+ 5788TIP3    H123673  -0.179  -2.082  -1.277
+ 5788TIP3    H223674  -0.215  -2.139  -1.143
+ 5789TIP3   OH223675   0.945  -2.107  -1.577
+ 5789TIP3    H123676   0.899  -2.164  -1.515
+ 5789TIP3    H223677   0.990  -2.044  -1.517
+ 5790TIP3   OH223678  -0.188  -1.952  -1.400
+ 5790TIP3    H123679  -0.148  -1.872  -1.360
+ 5790TIP3    H223680  -0.128  -1.971  -1.475
+ 5791TIP3   OH223681  -0.432  -1.235  -2.026
+ 5791TIP3    H123682  -0.447  -1.186  -2.108
+ 5791TIP3    H223683  -0.412  -1.164  -1.961
+ 5792TIP3   OH223684   0.953  -2.197  -1.201
+ 5792TIP3    H123685   0.875  -2.156  -1.242
+ 5792TIP3    H223686   1.025  -2.174  -1.262
+ 5793TIP3   OH223687   0.265  -2.423  -1.498
+ 5793TIP3    H123688   0.243  -2.518  -1.499
+ 5793TIP3    H223689   0.186  -2.384  -1.456
+ 5794TIP3   OH223690   0.895  -1.138  -1.850
+ 5794TIP3    H123691   0.807  -1.119  -1.885
+ 5794TIP3    H223692   0.885  -1.107  -1.758
+ 5795TIP3   OH223693   0.447  -1.469  -2.013
+ 5795TIP3    H123694   0.379  -1.470  -2.080
+ 5795TIP3    H223695   0.527  -1.491  -2.060
+ 5796TIP3   OH223696   0.506  -1.700  -2.306
+ 5796TIP3    H123697   0.578  -1.684  -2.244
+ 5796TIP3    H223698   0.545  -1.767  -2.365
+ 5797TIP3   OH223699   0.729  -1.544  -2.126
+ 5797TIP3    H123700   0.791  -1.598  -2.076
+ 5797TIP3    H223701   0.780  -1.523  -2.208
+ 5798TIP3   OH223702   1.065  -2.410  -2.212
+ 5798TIP3    H123703   0.979  -2.399  -2.169
+ 5798TIP3    H223704   1.102  -2.320  -2.207
+ 5799TIP3   OH223705   1.202  -0.988  -2.348
+ 5799TIP3    H123706   1.220  -0.893  -2.333
+ 5799TIP3    H223707   1.291  -1.027  -2.335
+ 5800TIP3   OH223708  -0.210  -0.746  -1.786
+ 5800TIP3    H123709  -0.189  -0.763  -1.694
+ 5800TIP3    H223710  -0.301  -0.773  -1.793
+ 5801TIP3   OH223711   0.778  -0.705  -2.218
+ 5801TIP3    H123712   0.804  -0.772  -2.283
+ 5801TIP3    H223713   0.738  -0.759  -2.150
+ 5802TIP3   OH223714   0.027  -2.307  -1.398
+ 5802TIP3    H123715  -0.053  -2.316  -1.454
+ 5802TIP3    H223716  -0.001  -2.232  -1.343
+ 5803TIP3   OH223717   0.463  -2.356  -1.044
+ 5803TIP3    H123718   0.513  -2.402  -0.974
+ 5803TIP3    H223719   0.371  -2.382  -1.026
+ 5804TIP3   OH223720   0.778  -1.971  -0.994
+ 5804TIP3    H123721   0.725  -1.990  -0.914
+ 5804TIP3    H223722   0.762  -1.877  -1.007
+ 5805TIP3   OH223723   0.881  -1.488  -2.351
+ 5805TIP3    H123724   0.851  -1.501  -2.443
+ 5805TIP3    H223725   0.974  -1.464  -2.367
+ 5806TIP3   OH223726   0.442  -2.098  -2.310
+ 5806TIP3    H123727   0.392  -2.113  -2.228
+ 5806TIP3    H223728   0.402  -2.166  -2.368
+ 5807TIP3   OH223729   0.018  -1.833  -1.758
+ 5807TIP3    H123730  -0.064  -1.783  -1.766
+ 5807TIP3    H223731   0.054  -1.827  -1.847
+ 5808TIP3   OH223732   0.566  -1.746  -1.894
+ 5808TIP3    H123733   0.511  -1.676  -1.931
+ 5808TIP3    H223734   0.626  -1.769  -1.966
+ 5809TIP3   OH223735   0.450  -1.753  -0.755
+ 5809TIP3    H123736   0.401  -1.825  -0.713
+ 5809TIP3    H223737   0.534  -1.751  -0.707
+ 5810TIP3   OH223738   0.636  -1.816  -1.612
+ 5810TIP3    H123739   0.601  -1.766  -1.688
+ 5810TIP3    H223740   0.645  -1.904  -1.651
+ 5811TIP3   OH223741  -0.220  -1.826  -1.117
+ 5811TIP3    H123742  -0.213  -1.754  -1.052
+ 5811TIP3    H223743  -0.286  -1.884  -1.078
+ 5812TIP3   OH223744   0.086  -2.057  -2.422
+ 5812TIP3    H123745   0.051  -2.086  -2.336
+ 5812TIP3    H223746   0.005  -2.039  -2.472
+ 5813TIP3   OH223747  -0.425  -2.033  -2.159
+ 5813TIP3    H123748  -0.355  -1.984  -2.206
+ 5813TIP3    H223749  -0.473  -1.960  -2.116
+ 5814TIP3   OH223750   0.579  -1.651  -1.131
+ 5814TIP3    H123751   0.610  -1.706  -1.204
+ 5814TIP3    H223752   0.506  -1.704  -1.094
+ 5815TIP3   OH223753   0.279  -2.066  -1.672
+ 5815TIP3    H123754   0.185  -2.059  -1.647
+ 5815TIP3    H223755   0.321  -2.071  -1.584
+ 5816TIP3   OH223756  -0.276  -1.906  -1.864
+ 5816TIP3    H123757  -0.364  -1.924  -1.830
+ 5816TIP3    H223758  -0.229  -1.991  -1.853
+ 5817TIP3   OH223759   0.103  -1.918  -2.047
+ 5817TIP3    H123760   0.195  -1.895  -2.027
+ 5817TIP3    H223761   0.071  -1.846  -2.103
+ 5818TIP3   OH223762   0.718  -2.152  -1.371
+ 5818TIP3    H123763   0.657  -2.148  -1.294
+ 5818TIP3    H223764   0.655  -2.182  -1.439
+ 5819TIP3   OH223765  -0.056  -1.780  -2.255
+ 5819TIP3    H123766  -0.104  -1.808  -2.335
+ 5819TIP3    H223767   0.025  -1.741  -2.293
+ 5820TIP3   OH223768  -0.100  -2.159  -1.862
+ 5820TIP3    H123769  -0.153  -2.240  -1.853
+ 5820TIP3    H223770  -0.020  -2.190  -1.906
+ 5821TIP3   OH223771   0.241  -1.941  -1.270
+ 5821TIP3    H123772   0.178  -1.870  -1.259
+ 5821TIP3    H223773   0.315  -1.912  -1.214
+ 5822TIP3   OH223774   0.709  -2.042  -2.293
+ 5822TIP3    H123775   0.611  -2.047  -2.300
+ 5822TIP3    H223776   0.724  -1.967  -2.233
+ 5823TIP3   OH223777   0.780  -1.842  -2.090
+ 5823TIP3    H123778   0.862  -1.877  -2.048
+ 5823TIP3    H223779   0.815  -1.789  -2.162
+ 5824TIP3   OH223780   1.233  -1.857  -2.116
+ 5824TIP3    H123781   1.183  -1.880  -2.197
+ 5824TIP3    H223782   1.248  -1.762  -2.133
+ 5825TIP3   OH223783   1.054  -0.981  -2.092
+ 5825TIP3    H123784   1.048  -1.061  -2.039
+ 5825TIP3    H223785   1.106  -1.008  -2.169
+ 5826TIP3   OH223786   0.770  -1.456  -1.377
+ 5826TIP3    H123787   0.695  -1.502  -1.340
+ 5826TIP3    H223788   0.840  -1.521  -1.377
+ 5827TIP3   OH223789  -0.345  -1.551  -2.294
+ 5827TIP3    H123790  -0.294  -1.485  -2.244
+ 5827TIP3    H223791  -0.435  -1.536  -2.259
+ 5828TIP3   OH223792   0.826  -1.165  -2.286
+ 5828TIP3    H123793   0.827  -1.216  -2.205
+ 5828TIP3    H223794   0.731  -1.168  -2.310
+ 5829TIP3   OH223795   1.257  -0.716  -2.266
+ 5829TIP3    H123796   1.329  -0.656  -2.293
+ 5829TIP3    H223797   1.187  -0.651  -2.255
+ 5830TIP3   OH223798  -0.343  -2.086  -1.018
+ 5830TIP3    H123799  -0.433  -2.056  -1.032
+ 5830TIP3    H223800  -0.355  -2.170  -0.970
+ 5831TIP3   OH223801   0.297  -1.051  -2.456
+ 5831TIP3    H123802   0.286  -1.127  -2.517
+ 5831TIP3    H223803   0.216  -1.056  -2.404
+ 5832TIP3   OH223804   0.561  -2.106  -1.150
+ 5832TIP3    H123805   0.619  -2.074  -1.080
+ 5832TIP3    H223806   0.512  -2.178  -1.106
+ 5833TIP3   OH223807   0.626  -2.164  -2.022
+ 5833TIP3    H123808   0.646  -2.113  -2.101
+ 5833TIP3    H223809   0.672  -2.115  -1.951
+ 5834TIP3   OH223810   0.369  -1.959  -1.927
+ 5834TIP3    H123811   0.447  -1.905  -1.904
+ 5834TIP3    H223812   0.334  -1.982  -1.839
+ 5835TIP3   OH223813   0.404  -1.844  -1.015
+ 5835TIP3    H123814   0.403  -1.805  -0.925
+ 5835TIP3    H223815   0.446  -1.929  -0.996
+ 5836TIP3   OH223816   0.423  -2.263  -1.836
+ 5836TIP3    H123817   0.403  -2.197  -1.766
+ 5836TIP3    H223818   0.497  -2.221  -1.883
+ 5837TIP3   OH223819  -0.004  -2.161  -2.179
+ 5837TIP3    H123820   0.001  -2.081  -2.122
+ 5837TIP3    H223821   0.078  -2.207  -2.152
+ 5838TIP3   OH223822   1.045  -2.073  -0.942
+ 5838TIP3    H123823   0.950  -2.054  -0.937
+ 5838TIP3    H223824   1.053  -2.099  -1.034
+ 5839TIP3   OH223825   0.888  -1.704  -1.550
+ 5839TIP3    H123826   0.796  -1.736  -1.549
+ 5839TIP3    H223827   0.928  -1.759  -1.480
+ 5840TIP3   OH223828  -0.344  -1.847  -2.370
+ 5840TIP3    H123829  -0.331  -1.758  -2.333
+ 5840TIP3    H223830  -0.438  -1.848  -2.392
+ 5841TIP3   OH223831   1.014  -0.785  -1.425
+ 5841TIP3    H123832   0.923  -0.769  -1.392
+ 5841TIP3    H223833   1.064  -0.785  -1.342
+ 5842TIP3   OH223834  -0.236  -2.371  -1.497
+ 5842TIP3    H123835  -0.278  -2.358  -1.584
+ 5842TIP3    H223836  -0.287  -2.445  -1.459
+ 5843TIP3   OH223837  -0.380  -1.007  -1.871
+ 5843TIP3    H123838  -0.451  -0.948  -1.843
+ 5843TIP3    H223839  -0.322  -0.944  -1.916
+ 5844TIP3   OH223840   0.902  -0.895  -2.399
+ 5844TIP3    H123841   0.920  -0.976  -2.349
+ 5844TIP3    H223842   0.982  -0.887  -2.454
+ 5845TIP3   OH223843   0.558  -1.199  -2.445
+ 5845TIP3    H123844   0.488  -1.166  -2.388
+ 5845TIP3    H223845   0.525  -1.288  -2.472
+ 5846TIP3   OH223846   0.197  -1.678  -2.354
+ 5846TIP3    H123847   0.189  -1.668  -2.450
+ 5846TIP3    H223848   0.293  -1.675  -2.341
+ 5847TIP3   OH223849   1.146  -1.451  -2.441
+ 5847TIP3    H123850   1.127  -1.489  -2.530
+ 5847TIP3    H223851   1.141  -1.356  -2.463
+ 5848TIP3   OH223852   0.076  -1.965  -0.863
+ 5848TIP3    H123853   0.079  -2.034  -0.931
+ 5848TIP3    H223854   0.054  -1.886  -0.914
+ 5849TIP3   OH223855   0.117  -2.145  -1.119
+ 5849TIP3    H123856   0.165  -2.086  -1.181
+ 5849TIP3    H223857   0.024  -2.135  -1.148
+ 5850TIP3   OH223858   0.740  -1.827  -0.624
+ 5850TIP3    H123859   0.760  -1.918  -0.598
+ 5850TIP3    H223860   0.814  -1.776  -0.592
+ 5851TIP3   OH223861  -0.094  -1.840  -0.632
+ 5851TIP3    H123862  -0.174  -1.883  -0.669
+ 5851TIP3    H223863  -0.038  -1.829  -0.709
+ 5852TIP3   OH223864   0.186  -2.411  -1.078
+ 5852TIP3    H123865   0.170  -2.316  -1.093
+ 5852TIP3    H223866   0.114  -2.451  -1.129
+ 5853TIP3   OH223867   0.307  -1.983  -0.704
+ 5853TIP3    H123868   0.269  -1.983  -0.615
+ 5853TIP3    H223869   0.225  -1.976  -0.757
+ 5854TIP3   OH223870   0.573  -2.063  -0.809
+ 5854TIP3    H123871   0.485  -2.050  -0.770
+ 5854TIP3    H223872   0.622  -2.105  -0.735
+ 5855TIP3   OH223873   0.765  -2.169  -0.614
+ 5855TIP3    H123874   0.765  -2.265  -0.613
+ 5855TIP3    H223875   0.755  -2.146  -0.519
+ 5856TIP3   OH223876  -0.280  -2.040  -0.682
+ 5856TIP3    H123877  -0.277  -2.103  -0.755
+ 5856TIP3    H223878  -0.281  -2.099  -0.604
+ 5857TIP3   OH223879   0.170  -2.464  -0.797
+ 5857TIP3    H123880   0.225  -2.543  -0.790
+ 5857TIP3    H223881   0.168  -2.449  -0.893
+ 5858TIP3   OH223882   0.260  -2.290  -0.601
+ 5858TIP3    H123883   0.230  -2.345  -0.677
+ 5858TIP3    H223884   0.205  -2.212  -0.612
+ 5859TIP3   OH223885  -0.420  -1.133  -2.319
+ 5859TIP3    H123886  -0.326  -1.130  -2.296
+ 5859TIP3    H223887  -0.426  -1.214  -2.373
+ 5860TIP3   OH223888   1.271  -0.671  -1.333
+ 5860TIP3    H123889   1.264  -0.668  -1.237
+ 5860TIP3    H223890   1.364  -0.652  -1.345
+ 5861TIP3   OH223891   1.217  -1.491  -1.847
+ 5861TIP3    H123892   1.180  -1.569  -1.802
+ 5861TIP3    H223893   1.302  -1.479  -1.798
+ 5862TIP3   OH223894   1.212  -1.241  -1.316
+ 5862TIP3    H123895   1.252  -1.317  -1.360
+ 5862TIP3    H223896   1.216  -1.169  -1.380
+ 5863TIP3   OH223897   1.201  -1.526  -2.151
+ 5863TIP3    H123898   1.204  -1.516  -2.248
+ 5863TIP3    H223899   1.270  -1.467  -2.120
+ 5864TIP3   OH223900   1.081  -1.810  -2.363
+ 5864TIP3    H123901   1.114  -1.759  -2.439
+ 5864TIP3    H223902   1.060  -1.896  -2.404
+ 5865TIP3   OH223903   0.994  -1.653  -1.801
+ 5865TIP3    H123904   0.999  -1.749  -1.817
+ 5865TIP3    H223905   0.961  -1.656  -1.707
+ 5866TIP3   OH223906   1.030  -2.075  -2.436
+ 5866TIP3    H123907   1.093  -2.129  -2.384
+ 5866TIP3    H223908   0.956  -2.135  -2.452
+ 5867TIP3   OH223909   1.014  -1.938  -1.947
+ 5867TIP3    H123910   1.033  -2.033  -1.930
+ 5867TIP3    H223911   1.098  -1.913  -1.989
+ 5868TIP3   OH223912   1.031  -1.885  -1.381
+ 5868TIP3    H123913   1.127  -1.865  -1.381
+ 5868TIP3    H223914   1.008  -1.867  -1.289
+ 5869TIP3   OH223915   1.291  -2.373  -0.624
+ 5869TIP3    H123916   1.336  -2.449  -0.667
+ 5869TIP3    H223917   1.316  -2.301  -0.683
+ 5870TIP3   OH223918   1.057  -2.225  -1.948
+ 5870TIP3    H123919   1.071  -2.260  -1.859
+ 5870TIP3    H223920   0.979  -2.277  -1.976
+ 5871TIP3   OH223921  -0.417  -2.145  -1.443
+ 5871TIP3    H123922  -0.350  -2.214  -1.436
+ 5871TIP3    H223923  -0.365  -2.066  -1.422
+ 5872TIP3   OH223924   1.255  -2.179  -2.283
+ 5872TIP3    H123925   1.283  -2.259  -2.331
+ 5872TIP3    H223926   1.337  -2.129  -2.278
+ 5873TIP3   OH223927  -0.558  -2.215  -1.980
+ 5873TIP3    H123928  -0.630  -2.156  -2.003
+ 5873TIP3    H223929  -0.481  -2.160  -1.998
+ 5874TIP3   OH223930  -0.554  -2.300  -1.124
+ 5874TIP3    H123931  -0.617  -2.364  -1.087
+ 5874TIP3    H223932  -0.600  -2.264  -1.200
+ 5875TIP3   OH223933   1.135  -2.380  -0.960
+ 5875TIP3    H123934   1.059  -2.347  -1.010
+ 5875TIP3    H223935   1.153  -2.467  -1.001
+ 5876TIP3   OH223936   0.477  -2.229  -1.522
+ 5876TIP3    H123937   0.404  -2.293  -1.510
+ 5876TIP3    H223938   0.535  -2.276  -1.583
+ 5877TIP3   OH223939   0.970  -2.427  -1.480
+ 5877TIP3    H123940   1.045  -2.379  -1.520
+ 5877TIP3    H223941   0.895  -2.393  -1.530
+ 5878TIP3   OH223942   1.176  -2.314  -1.693
+ 5878TIP3    H123943   1.250  -2.355  -1.742
+ 5878TIP3    H223944   1.209  -2.223  -1.681
+ 5879TIP3   OH223945  -0.301  -2.356  -1.784
+ 5879TIP3    H123946  -0.394  -2.373  -1.810
+ 5879TIP3    H223947  -0.260  -2.444  -1.788
+ 5880TIP3   OH223948  -0.414  -2.401  -2.172
+ 5880TIP3    H123949  -0.359  -2.339  -2.223
+ 5880TIP3    H223950  -0.462  -2.341  -2.112
+ 5881TIP3   OH223951   0.158  -2.379  -1.780
+ 5881TIP3    H123952   0.246  -2.340  -1.793
+ 5881TIP3    H223953   0.152  -2.380  -1.684
+ 5882TIP3   OH223954   0.715  -2.368  -1.642
+ 5882TIP3    H123955   0.744  -2.389  -1.732
+ 5882TIP3    H223956   0.678  -2.453  -1.613
+ 5883TIP3   OH223957   0.827  -2.369  -2.042
+ 5883TIP3    H123958   0.744  -2.319  -2.053
+ 5883TIP3    H223959   0.793  -2.459  -2.026
+ 5884TIP3   OH223960  -0.373  -0.808  -2.075
+ 5884TIP3    H123961  -0.453  -0.799  -2.129
+ 5884TIP3    H223962  -0.359  -0.716  -2.045
+ 5885TIP3   OH223963  -0.236  -2.229  -2.337
+ 5885TIP3    H123964  -0.172  -2.281  -2.387
+ 5885TIP3    H223965  -0.180  -2.193  -2.266
+ 5886TIP3   OH223966   0.274  -2.207  -2.076
+ 5886TIP3    H123967   0.307  -2.263  -2.004
+ 5886TIP3    H223968   0.287  -2.119  -2.038
+ 5887TIP3   OH223969   1.155  -0.722  -1.978
+ 5887TIP3    H123970   1.130  -0.805  -2.022
+ 5887TIP3    H223971   1.127  -0.655  -2.041
+ 5888TIP3   OH223972  -0.319  -2.332  -0.818
+ 5888TIP3    H123973  -0.349  -2.415  -0.775
+ 5888TIP3    H223974  -0.226  -2.336  -0.789
+ 5889TIP3   OH223975  -0.069  -2.397  -0.623
+ 5889TIP3    H123976   0.004  -2.437  -0.674
+ 5889TIP3    H223977  -0.128  -2.474  -0.614
+ 5890TIP3   OH223978   0.740  -2.474  -0.609
+ 5890TIP3    H123979   0.757  -2.517  -0.525
+ 5890TIP3    H223980   0.829  -2.476  -0.650
+ 5891TIP3   OH223981   2.499  -1.481  -1.746
+ 5891TIP3    H123982   2.495  -1.387  -1.724
+ 5891TIP3    H223983   2.418  -1.493  -1.797
+ 5892TIP3   OH223984   2.383  -1.539  -1.437
+ 5892TIP3    H123985   2.382  -1.588  -1.353
+ 5892TIP3    H223986   2.353  -1.607  -1.500
+ 5893TIP3   OH223987   1.642  -1.560  -1.241
+ 5893TIP3    H123988   1.636  -1.639  -1.184
+ 5893TIP3    H223989   1.727  -1.522  -1.217
+ 5894TIP3   OH223990   2.750  -1.238  -1.588
+ 5894TIP3    H123991   2.719  -1.311  -1.534
+ 5894TIP3    H223992   2.787  -1.180  -1.520
+ 5895TIP3   OH223993   1.721  -1.124  -1.444
+ 5895TIP3    H123994   1.690  -1.216  -1.457
+ 5895TIP3    H223995   1.816  -1.138  -1.426
+ 5896TIP3   OH223996   1.392  -1.776  -1.882
+ 5896TIP3    H123997   1.360  -1.687  -1.867
+ 5896TIP3    H223998   1.317  -1.821  -1.923
+ 5897TIP3   OH223999   1.456  -1.530  -1.711
+ 5897TIP3    H124000   1.468  -1.599  -1.643
+ 5897TIP3    H224001   1.548  -1.509  -1.732
+ 5898TIP3   OH224002   2.454  -0.725  -1.540
+ 5898TIP3    H124003   2.509  -0.798  -1.572
+ 5898TIP3    H224004   2.433  -0.757  -1.451
+ 5899TIP3   OH224005   2.232  -1.291  -1.377
+ 5899TIP3    H124006   2.269  -1.363  -1.430
+ 5899TIP3    H224007   2.311  -1.269  -1.324
+ 5900TIP3   OH224008   3.097  -2.133  -1.316
+ 5900TIP3    H124009   3.121  -2.076  -1.242
+ 5900TIP3    H224010   3.159  -2.101  -1.385
+ 5901TIP3   OH224011   2.562  -1.853  -1.326
+ 5901TIP3    H124012   2.576  -1.949  -1.321
+ 5901TIP3    H224013   2.552  -1.840  -1.422
+ 5902TIP3   OH224014   1.858  -2.051  -1.619
+ 5902TIP3    H124015   1.872  -1.965  -1.663
+ 5902TIP3    H224016   1.822  -2.103  -1.693
+ 5903TIP3   OH224017   2.642  -2.037  -1.791
+ 5903TIP3    H124018   2.697  -2.078  -1.719
+ 5903TIP3    H224019   2.711  -1.990  -1.840
+ 5904TIP3   OH224020   1.525  -1.778  -1.567
+ 5904TIP3    H124021   1.586  -1.826  -1.509
+ 5904TIP3    H224022   1.535  -1.827  -1.650
+ 5905TIP3   OH224023   2.065  -1.639  -1.624
+ 5905TIP3    H124024   2.135  -1.693  -1.583
+ 5905TIP3    H224025   2.013  -1.707  -1.672
+ 5906TIP3   OH224026   3.175  -1.990  -1.063
+ 5906TIP3    H124027   3.112  -1.923  -1.095
+ 5906TIP3    H224028   3.140  -2.006  -0.975
+ 5907TIP3   OH224029   1.734  -2.171  -1.198
+ 5907TIP3    H124030   1.696  -2.120  -1.272
+ 5907TIP3    H224031   1.666  -2.155  -1.130
+ 5908TIP3   OH224032   2.497  -1.189  -1.871
+ 5908TIP3    H124033   2.447  -1.221  -1.946
+ 5908TIP3    H224034   2.447  -1.111  -1.843
+ 5909TIP3   OH224035   2.013  -1.381  -1.203
+ 5909TIP3    H124036   1.965  -1.312  -1.152
+ 5909TIP3    H224037   2.087  -1.329  -1.239
+ 5910TIP3   OH224038   2.823  -2.108  -1.585
+ 5910TIP3    H124039   2.799  -2.182  -1.526
+ 5910TIP3    H224040   2.875  -2.053  -1.524
+ 5911TIP3   OH224041   1.698  -1.968  -1.408
+ 5911TIP3    H124042   1.761  -1.910  -1.360
+ 5911TIP3    H224043   1.757  -2.003  -1.478
+ 5912TIP3   OH224044   1.885  -1.179  -1.074
+ 5912TIP3    H124045   1.877  -1.090  -1.109
+ 5912TIP3    H224046   1.808  -1.186  -1.016
+ 5913TIP3   OH224047   1.417  -1.240  -2.035
+ 5913TIP3    H124048   1.415  -1.186  -2.115
+ 5913TIP3    H224049   1.439  -1.174  -1.966
+ 5914TIP3   OH224050   2.841  -2.194  -1.194
+ 5914TIP3    H124051   2.761  -2.162  -1.242
+ 5914TIP3    H224052   2.909  -2.185  -1.263
+ 5915TIP3   OH224053   2.151  -2.423  -1.496
+ 5915TIP3    H124054   2.129  -2.518  -1.499
+ 5915TIP3    H224055   2.069  -2.385  -1.457
+ 5916TIP3   OH224056   2.631  -0.885  -1.712
+ 5916TIP3    H124057   2.680  -0.968  -1.715
+ 5916TIP3    H224058   2.702  -0.820  -1.698
+ 5917TIP3   OH224059   2.793  -1.114  -1.846
+ 5917TIP3    H124060   2.714  -1.151  -1.890
+ 5917TIP3    H224061   2.788  -1.158  -1.759
+ 5918TIP3   OH224062   2.941  -1.191  -0.983
+ 5918TIP3    H124063   2.927  -1.264  -1.045
+ 5918TIP3    H224064   2.934  -1.119  -1.048
+ 5919TIP3   OH224065   2.360  -1.531  -2.017
+ 5919TIP3    H124066   2.294  -1.468  -2.052
+ 5919TIP3    H224067   2.432  -1.523  -2.081
+ 5920TIP3   OH224068   2.390  -1.708  -2.312
+ 5920TIP3    H124069   2.458  -1.679  -2.248
+ 5920TIP3    H224070   2.441  -1.768  -2.368
+ 5921TIP3   OH224071   3.120  -1.602  -1.191
+ 5921TIP3    H124072   3.042  -1.541  -1.186
+ 5921TIP3    H224073   3.164  -1.564  -1.270
+ 5922TIP3   OH224074   2.713  -1.531  -1.909
+ 5922TIP3    H124075   2.644  -1.508  -1.842
+ 5922TIP3    H224076   2.774  -1.585  -1.854
+ 5923TIP3   OH224077   2.694  -1.675  -1.025
+ 5923TIP3    H124078   2.700  -1.593  -0.974
+ 5923TIP3    H224079   2.631  -1.646  -1.093
+ 5924TIP3   OH224080   1.872  -1.452  -1.731
+ 5924TIP3    H124081   1.842  -1.497  -1.812
+ 5924TIP3    H224082   1.937  -1.515  -1.695
+ 5925TIP3   OH224083   2.016  -1.113  -1.461
+ 5925TIP3    H124084   2.015  -1.155  -1.548
+ 5925TIP3    H224085   2.096  -1.154  -1.421
+ 5926TIP3   OH224086   1.924  -1.573  -1.385
+ 5926TIP3    H124087   1.986  -1.571  -1.461
+ 5926TIP3    H224088   1.962  -1.504  -1.326
+ 5927TIP3   OH224089   2.519  -1.018  -1.334
+ 5927TIP3    H124090   2.558  -0.950  -1.277
+ 5927TIP3    H224091   2.537  -1.100  -1.286
+ 5928TIP3   OH224092   2.611  -1.586  -2.163
+ 5928TIP3    H124093   2.654  -1.556  -2.079
+ 5928TIP3    H224094   2.657  -1.528  -2.229
+ 5929TIP3   OH224095   2.351  -0.925  -1.807
+ 5929TIP3    H124096   2.404  -0.901  -1.730
+ 5929TIP3    H224097   2.304  -0.843  -1.828
+ 5930TIP3   OH224098   2.951  -2.410  -2.213
+ 5930TIP3    H124099   2.863  -2.402  -2.172
+ 5930TIP3    H224100   2.985  -2.320  -2.203
+ 5931TIP3   OH224101   1.766  -1.577  -1.978
+ 5931TIP3    H124102   1.742  -1.501  -2.033
+ 5931TIP3    H224103   1.701  -1.643  -2.004
+ 5932TIP3   OH224104   3.098  -0.990  -2.376
+ 5932TIP3    H124105   3.110  -0.902  -2.333
+ 5932TIP3    H224106   3.176  -1.038  -2.342
+ 5933TIP3   OH224107   1.357  -1.014  -1.452
+ 5933TIP3    H124108   1.445  -1.044  -1.427
+ 5933TIP3    H224109   1.334  -0.951  -1.381
+ 5934TIP3   OH224110   3.211  -0.954  -0.826
+ 5934TIP3    H124111   3.200  -1.046  -0.856
+ 5934TIP3    H224112   3.118  -0.930  -0.803
+ 5935TIP3   OH224113   2.304  -1.021  -0.959
+ 5935TIP3    H124114   2.320  -0.956  -0.888
+ 5935TIP3    H224115   2.221  -1.060  -0.932
+ 5936TIP3   OH224116   2.312  -0.650  -1.958
+ 5936TIP3    H124117   2.310  -0.638  -2.054
+ 5936TIP3    H224118   2.308  -0.559  -1.924
+ 5937TIP3   OH224119   1.686  -0.760  -1.803
+ 5937TIP3    H124120   1.707  -0.787  -1.711
+ 5937TIP3    H224121   1.592  -0.781  -1.807
+ 5938TIP3   OH224122   2.642  -0.718  -2.244
+ 5938TIP3    H124123   2.692  -0.789  -2.286
+ 5938TIP3    H224124   2.635  -0.750  -2.152
+ 5939TIP3   OH224125   2.578  -0.768  -1.965
+ 5939TIP3    H124126   2.483  -0.753  -1.946
+ 5939TIP3    H224127   2.599  -0.831  -1.893
+ 5940TIP3   OH224128   2.896  -1.820  -0.791
+ 5940TIP3    H124129   2.838  -1.781  -0.858
+ 5940TIP3    H224130   2.898  -1.913  -0.821
+ 5941TIP3   OH224131   1.908  -2.309  -1.402
+ 5941TIP3    H124132   1.825  -2.313  -1.452
+ 5941TIP3    H224133   1.889  -2.234  -1.344
+ 5942TIP3   OH224134   2.346  -2.352  -1.041
+ 5942TIP3    H124135   2.399  -2.402  -0.975
+ 5942TIP3    H224136   2.256  -2.384  -1.026
+ 5943TIP3   OH224137   2.664  -1.970  -0.984
+ 5943TIP3    H124138   2.600  -1.987  -0.913
+ 5943TIP3    H224139   2.654  -1.875  -1.003
+ 5944TIP3   OH224140   2.754  -1.471  -2.371
+ 5944TIP3    H124141   2.744  -1.501  -2.463
+ 5944TIP3    H224142   2.850  -1.455  -2.366
+ 5945TIP3   OH224143   2.330  -2.101  -2.310
+ 5945TIP3    H124144   2.279  -2.112  -2.228
+ 5945TIP3    H224145   2.286  -2.167  -2.367
+ 5946TIP3   OH224146   1.891  -1.831  -1.256
+ 5946TIP3    H124147   1.832  -1.818  -1.179
+ 5946TIP3    H224148   1.902  -1.740  -1.289
+ 5947TIP3   OH224149   1.889  -1.821  -1.775
+ 5947TIP3    H124150   1.793  -1.832  -1.790
+ 5947TIP3    H224151   1.923  -1.843  -1.863
+ 5948TIP3   OH224152   2.448  -1.767  -1.897
+ 5948TIP3    H124153   2.408  -1.683  -1.928
+ 5948TIP3    H224154   2.518  -1.780  -1.963
+ 5949TIP3   OH224155   2.370  -1.742  -0.757
+ 5949TIP3    H124156   2.313  -1.813  -0.723
+ 5949TIP3    H224157   2.456  -1.761  -0.714
+ 5950TIP3   OH224158   2.534  -1.827  -1.618
+ 5950TIP3    H124159   2.506  -1.769  -1.691
+ 5950TIP3    H224160   2.555  -1.908  -1.668
+ 5951TIP3   OH224161   1.639  -1.814  -1.077
+ 5951TIP3    H124162   1.654  -1.781  -0.987
+ 5951TIP3    H224163   1.594  -1.899  -1.059
+ 5952TIP3   OH224164   1.979  -2.060  -2.423
+ 5952TIP3    H124165   1.940  -2.091  -2.339
+ 5952TIP3    H224166   1.902  -2.024  -2.468
+ 5953TIP3   OH224167   1.315  -2.065  -1.717
+ 5953TIP3    H124168   1.373  -2.066  -1.639
+ 5953TIP3    H224169   1.368  -2.108  -1.786
+ 5954TIP3   OH224170   1.475  -2.024  -2.142
+ 5954TIP3    H124171   1.528  -1.976  -2.208
+ 5954TIP3    H224172   1.405  -1.959  -2.125
+ 5955TIP3   OH224173   2.441  -1.658  -1.174
+ 5955TIP3    H124174   2.487  -1.731  -1.222
+ 5955TIP3    H224175   2.409  -1.705  -1.095
+ 5956TIP3   OH224176   2.165  -2.064  -1.673
+ 5956TIP3    H124177   2.071  -2.066  -1.647
+ 5956TIP3    H224178   2.208  -2.080  -1.587
+ 5957TIP3   OH224179   1.623  -1.938  -1.806
+ 5957TIP3    H124180   1.539  -1.914  -1.850
+ 5957TIP3    H224181   1.651  -2.018  -1.854
+ 5958TIP3   OH224182   1.987  -1.908  -2.037
+ 5958TIP3    H124183   2.083  -1.898  -2.030
+ 5958TIP3    H224184   1.961  -1.847  -2.107
+ 5959TIP3   OH224185   2.603  -2.144  -1.369
+ 5959TIP3    H124186   2.540  -2.147  -1.294
+ 5959TIP3    H224187   2.548  -2.181  -1.440
+ 5960TIP3   OH224188   1.831  -1.780  -2.259
+ 5960TIP3    H124189   1.773  -1.809  -2.331
+ 5960TIP3    H224190   1.913  -1.763  -2.307
+ 5961TIP3   OH224191   2.908  -0.574  -0.696
+ 5961TIP3    H124192   2.909  -0.527  -0.780
+ 5961TIP3    H224193   2.973  -0.525  -0.644
+ 5962TIP3   OH224194   2.266  -1.810  -1.491
+ 5962TIP3    H124195   2.343  -1.851  -1.533
+ 5962TIP3    H224196   2.251  -1.868  -1.414
+ 5963TIP3   OH224197   1.796  -2.166  -1.873
+ 5963TIP3    H124198   1.742  -2.245  -1.857
+ 5963TIP3    H224199   1.878  -2.204  -1.908
+ 5964TIP3   OH224200   2.164  -1.963  -1.264
+ 5964TIP3    H124201   2.088  -1.903  -1.260
+ 5964TIP3    H224202   2.215  -1.938  -1.184
+ 5965TIP3   OH224203   2.180  -1.325  -2.076
+ 5965TIP3    H124204   2.102  -1.374  -2.109
+ 5965TIP3    H224205   2.159  -1.317  -1.979
+ 5966TIP3   OH224206   2.908  -1.427  -1.200
+ 5966TIP3    H124207   2.942  -1.344  -1.242
+ 5966TIP3    H224208   2.819  -1.430  -1.240
+ 5967TIP3   OH224209   2.597  -2.034  -2.307
+ 5967TIP3    H124210   2.499  -2.044  -2.301
+ 5967TIP3    H224211   2.616  -1.970  -2.235
+ 5968TIP3   OH224212   2.326  -1.329  -0.940
+ 5968TIP3    H124213   2.308  -1.359  -0.850
+ 5968TIP3    H224214   2.323  -1.234  -0.931
+ 5969TIP3   OH224215   2.664  -1.860  -2.098
+ 5969TIP3    H124216   2.748  -1.875  -2.050
+ 5969TIP3    H224217   2.674  -1.769  -2.130
+ 5970TIP3   OH224218   1.679  -1.401  -1.499
+ 5970TIP3    H124219   1.747  -1.410  -1.568
+ 5970TIP3    H224220   1.697  -1.478  -1.442
+ 5971TIP3   OH224221   2.418  -1.187  -2.188
+ 5971TIP3    H124222   2.395  -1.102  -2.144
+ 5971TIP3    H224223   2.346  -1.244  -2.156
+ 5972TIP3   OH224224   2.106  -1.592  -0.738
+ 5972TIP3    H124225   2.073  -1.610  -0.826
+ 5972TIP3    H224226   2.199  -1.613  -0.744
+ 5973TIP3   OH224227   2.585  -1.086  -0.976
+ 5973TIP3    H124228   2.498  -1.054  -1.008
+ 5973TIP3    H224229   2.596  -1.034  -0.896
+ 5974TIP3   OH224230   3.123  -1.862  -2.119
+ 5974TIP3    H124231   3.064  -1.877  -2.195
+ 5974TIP3    H224232   3.136  -1.765  -2.128
+ 5975TIP3   OH224233   3.165  -1.258  -0.840
+ 5975TIP3    H124234   3.075  -1.226  -0.863
+ 5975TIP3    H224235   3.201  -1.272  -0.930
+ 5976TIP3   OH224236   2.932  -1.002  -2.122
+ 5976TIP3    H124237   2.907  -1.063  -2.050
+ 5976TIP3    H224238   3.007  -1.046  -2.162
+ 5977TIP3   OH224239   2.667  -1.465  -1.365
+ 5977TIP3    H124240   2.574  -1.479  -1.392
+ 5977TIP3    H224241   2.713  -1.533  -1.418
+ 5978TIP3   OH224242   1.929  -1.058  -1.775
+ 5978TIP3    H124243   1.974  -0.971  -1.775
+ 5978TIP3    H224244   1.837  -1.031  -1.788
+ 5979TIP3   OH224245   1.517  -1.575  -2.291
+ 5979TIP3    H124246   1.586  -1.514  -2.258
+ 5979TIP3    H224247   1.440  -1.517  -2.287
+ 5980TIP3   OH224248   2.114  -1.287  -1.809
+ 5980TIP3    H124249   2.084  -1.196  -1.791
+ 5980TIP3    H224250   2.046  -1.338  -1.763
+ 5981TIP3   OH224251   2.140  -0.871  -1.179
+ 5981TIP3    H124252   2.191  -0.793  -1.205
+ 5981TIP3    H224253   2.202  -0.917  -1.122
+ 5982TIP3   OH224254   1.976  -0.765  -1.850
+ 5982TIP3    H124255   1.881  -0.754  -1.837
+ 5982TIP3    H224256   2.010  -0.677  -1.821
+ 5983TIP3   OH224257   2.468  -1.292  -1.213
+ 5983TIP3    H124258   2.444  -1.314  -1.122
+ 5983TIP3    H224259   2.547  -1.346  -1.227
+ 5984TIP3   OH224260   2.690  -1.147  -2.323
+ 5984TIP3    H124261   2.733  -1.191  -2.247
+ 5984TIP3    H224262   2.597  -1.164  -2.299
+ 5985TIP3   OH224263   2.760  -0.817  -0.948
+ 5985TIP3    H124264   2.691  -0.862  -0.999
+ 5985TIP3    H224265   2.769  -0.736  -1.001
+ 5986TIP3   OH224266   3.161  -0.731  -2.271
+ 5986TIP3    H124267   3.233  -0.666  -2.286
+ 5986TIP3    H224268   3.086  -0.668  -2.264
+ 5987TIP3   OH224269   1.532  -2.086  -1.011
+ 5987TIP3    H124270   1.439  -2.063  -1.019
+ 5987TIP3    H224271   1.527  -2.171  -0.963
+ 5988TIP3   OH224272   2.785  -1.303  -2.093
+ 5988TIP3    H124273   2.755  -1.365  -2.024
+ 5988TIP3    H224274   2.878  -1.292  -2.069
+ 5989TIP3   OH224275   2.112  -1.052  -2.464
+ 5989TIP3    H124276   2.141  -1.133  -2.511
+ 5989TIP3    H224277   2.071  -1.090  -2.385
+ 5990TIP3   OH224278   1.997  -1.099  -2.193
+ 5990TIP3    H124279   2.046  -1.152  -2.128
+ 5990TIP3    H224280   2.011  -1.008  -2.159
+ 5991TIP3   OH224281   1.667  -1.349  -2.150
+ 5991TIP3    H124282   1.599  -1.311  -2.092
+ 5991TIP3    H224283   1.718  -1.269  -2.173
+ 5992TIP3   OH224284   2.447  -2.110  -1.150
+ 5992TIP3    H124285   2.508  -2.082  -1.080
+ 5992TIP3    H224286   2.398  -2.182  -1.108
+ 5993TIP3   OH224287   2.516  -2.167  -2.024
+ 5993TIP3    H124288   2.527  -2.106  -2.099
+ 5993TIP3    H224289   2.555  -2.116  -1.951
+ 5994TIP3   OH224290   2.289  -0.940  -2.132
+ 5994TIP3    H124291   2.210  -0.889  -2.107
+ 5994TIP3    H224292   2.327  -0.885  -2.202
+ 5995TIP3   OH224293   2.253  -1.966  -1.930
+ 5995TIP3    H124294   2.327  -1.903  -1.914
+ 5995TIP3    H224295   2.223  -1.983  -1.839
+ 5996TIP3   OH224296   2.289  -1.872  -1.015
+ 5996TIP3    H124297   2.288  -1.819  -0.933
+ 5996TIP3    H224298   2.342  -1.948  -0.987
+ 5997TIP3   OH224299   2.307  -2.264  -1.837
+ 5997TIP3    H124300   2.290  -2.198  -1.767
+ 5997TIP3    H224301   2.383  -2.223  -1.883
+ 5998TIP3   OH224302   2.011  -0.828  -2.129
+ 5998TIP3    H124303   2.004  -0.745  -2.180
+ 5998TIP3    H224304   1.997  -0.797  -2.037
+ 5999TIP3   OH224305   1.885  -2.161  -2.183
+ 5999TIP3    H124306   1.885  -2.086  -2.121
+ 5999TIP3    H224307   1.965  -2.209  -2.155
+ 6000TIP3   OH224308   2.919  -2.070  -0.927
+ 6000TIP3    H124309   2.822  -2.058  -0.939
+ 6000TIP3    H224310   2.939  -2.100  -1.017
+ 6001TIP3   OH224311   2.769  -1.690  -1.527
+ 6001TIP3    H124312   2.684  -1.733  -1.548
+ 6001TIP3    H224313   2.816  -1.759  -1.476
+ 6002TIP3   OH224314   1.723  -1.075  -2.278
+ 6002TIP3    H124315   1.795  -1.024  -2.235
+ 6002TIP3    H224316   1.776  -1.127  -2.340
+ 6003TIP3   OH224317   1.531  -1.852  -2.353
+ 6003TIP3    H124318   1.542  -1.758  -2.332
+ 6003TIP3    H224319   1.452  -1.852  -2.408
+ 6004TIP3   OH224320   2.837  -0.785  -1.377
+ 6004TIP3    H124321   2.864  -0.705  -1.424
+ 6004TIP3    H224322   2.919  -0.834  -1.364
+ 6005TIP3   OH224323   1.632  -2.353  -1.485
+ 6005TIP3    H124324   1.612  -2.355  -1.581
+ 6005TIP3    H224325   1.597  -2.438  -1.454
+ 6006TIP3   OH224326   1.500  -1.021  -1.876
+ 6006TIP3    H124327   1.441  -0.957  -1.835
+ 6006TIP3    H224328   1.565  -0.963  -1.918
+ 6007TIP3   OH224329   2.334  -0.879  -2.418
+ 6007TIP3    H124330   2.256  -0.939  -2.420
+ 6007TIP3    H224331   2.402  -0.941  -2.450
+ 6008TIP3   OH224332   2.538  -0.989  -0.690
+ 6008TIP3    H124333   2.542  -1.082  -0.668
+ 6008TIP3    H224334   2.609  -0.949  -0.636
+ 6009TIP3   OH224335   2.814  -0.897  -2.445
+ 6009TIP3    H124336   2.826  -0.961  -2.373
+ 6009TIP3    H224337   2.904  -0.865  -2.460
+ 6010TIP3   OH224338   1.876  -1.309  -2.429
+ 6010TIP3    H124339   1.893  -1.367  -2.353
+ 6010TIP3    H224340   1.963  -1.313  -2.474
+ 6011TIP3   OH224341   2.403  -1.173  -2.467
+ 6011TIP3    H124342   2.396  -1.179  -2.370
+ 6011TIP3    H224343   2.395  -1.268  -2.490
+ 6012TIP3   OH224344   2.657  -1.371  -0.958
+ 6012TIP3    H124345   2.731  -1.316  -0.987
+ 6012TIP3    H224346   2.588  -1.303  -0.952
+ 6013TIP3   OH224347   1.980  -1.498  -2.198
+ 6013TIP3    H124348   1.925  -1.550  -2.138
+ 6013TIP3    H224349   2.013  -1.567  -2.259
+ 6014TIP3   OH224350   1.897  -1.699  -0.969
+ 6014TIP3    H124351   1.870  -1.620  -0.922
+ 6014TIP3    H224352   1.975  -1.669  -1.020
+ 6015TIP3   OH224353   2.081  -1.697  -2.369
+ 6015TIP3    H124354   2.075  -1.690  -2.466
+ 6015TIP3    H224355   2.178  -1.699  -2.356
+ 6016TIP3   OH224356   2.478  -1.435  -0.646
+ 6016TIP3    H124357   2.558  -1.485  -0.668
+ 6016TIP3    H224358   2.418  -1.503  -0.615
+ 6017TIP3   OH224359   3.022  -1.451  -2.431
+ 6017TIP3    H124360   3.022  -1.491  -2.520
+ 6017TIP3    H224361   3.046  -1.360  -2.451
+ 6018TIP3   OH224362   1.956  -1.987  -0.852
+ 6018TIP3    H124363   1.968  -2.052  -0.924
+ 6018TIP3    H224364   1.939  -1.905  -0.901
+ 6019TIP3   OH224365   2.000  -2.148  -1.111
+ 6019TIP3    H124366   2.052  -2.093  -1.172
+ 6019TIP3    H224367   1.909  -2.140  -1.144
+ 6020TIP3   OH224368   2.147  -1.602  -1.080
+ 6020TIP3    H124369   2.236  -1.608  -1.118
+ 6020TIP3    H224370   2.125  -1.509  -1.098
+ 6021TIP3   OH224371   2.611  -1.804  -0.595
+ 6021TIP3    H124372   2.628  -1.898  -0.577
+ 6021TIP3    H224373   2.700  -1.768  -0.602
+ 6022TIP3   OH224374   2.725  -1.532  -0.745
+ 6022TIP3    H124375   2.682  -1.473  -0.810
+ 6022TIP3    H224376   2.814  -1.539  -0.786
+ 6023TIP3   OH224377   1.783  -1.815  -0.657
+ 6023TIP3    H124378   1.712  -1.881  -0.669
+ 6023TIP3    H224379   1.857  -1.849  -0.708
+ 6024TIP3   OH224380   2.072  -2.414  -1.076
+ 6024TIP3    H124381   2.055  -2.318  -1.091
+ 6024TIP3    H224382   2.000  -2.454  -1.129
+ 6025TIP3   OH224383   2.197  -1.963  -0.699
+ 6025TIP3    H124384   2.163  -1.979  -0.609
+ 6025TIP3    H224385   2.114  -1.976  -0.749
+ 6026TIP3   OH224386   2.451  -2.052  -0.812
+ 6026TIP3    H124387   2.363  -2.044  -0.771
+ 6026TIP3    H224388   2.496  -2.115  -0.751
+ 6027TIP3   OH224389   2.644  -2.204  -0.635
+ 6027TIP3    H124390   2.621  -2.298  -0.621
+ 6027TIP3    H224391   2.618  -2.162  -0.550
+ 6028TIP3   OH224392   1.590  -2.040  -0.672
+ 6028TIP3    H124393   1.610  -2.099  -0.746
+ 6028TIP3    H224394   1.604  -2.099  -0.595
+ 6029TIP3   OH224395   2.054  -2.467  -0.795
+ 6029TIP3    H124396   2.117  -2.541  -0.789
+ 6029TIP3    H224397   2.053  -2.450  -0.891
+ 6030TIP3   OH224398   2.151  -2.280  -0.609
+ 6030TIP3    H124399   2.115  -2.336  -0.680
+ 6030TIP3    H224400   2.084  -2.210  -0.600
+ 6031TIP3   OH224401   2.056  -0.574  -2.263
+ 6031TIP3    H124402   2.151  -0.559  -2.245
+ 6031TIP3    H224403   2.046  -0.527  -2.346
+ 6032TIP3   OH224404   1.447  -1.134  -2.308
+ 6032TIP3    H124405   1.542  -1.114  -2.290
+ 6032TIP3    H224406   1.454  -1.212  -2.366
+ 6033TIP3   OH224407   1.400  -0.802  -1.659
+ 6033TIP3    H124408   1.357  -0.883  -1.627
+ 6033TIP3    H224409   1.407  -0.755  -1.574
+ 6034TIP3   OH224410   3.145  -0.669  -1.345
+ 6034TIP3    H124411   3.139  -0.693  -1.251
+ 6034TIP3    H224412   3.240  -0.665  -1.359
+ 6035TIP3   OH224413   3.111  -0.759  -1.055
+ 6035TIP3    H124414   3.053  -0.829  -1.089
+ 6035TIP3    H224415   3.166  -0.807  -0.992
+ 6036TIP3   OH224416   2.941  -1.187  -0.586
+ 6036TIP3    H124417   2.850  -1.191  -0.555
+ 6036TIP3    H224418   2.971  -1.099  -0.559
+ 6037TIP3   OH224419   3.075  -1.308  -2.046
+ 6037TIP3    H124420   3.165  -1.278  -2.025
+ 6037TIP3    H224421   3.060  -1.370  -1.972
+ 6038TIP3   OH224422   3.117  -1.516  -1.850
+ 6038TIP3    H124423   3.049  -1.568  -1.803
+ 6038TIP3    H224424   3.184  -1.500  -1.780
+ 6039TIP3   OH224425   3.147  -1.568  -2.190
+ 6039TIP3    H124426   3.091  -1.538  -2.263
+ 6039TIP3    H224427   3.131  -1.500  -2.123
+ 6040TIP3   OH224428   2.964  -1.810  -2.366
+ 6040TIP3    H124429   2.998  -1.750  -2.434
+ 6040TIP3    H224430   2.947  -1.892  -2.415
+ 6041TIP3   OH224431   2.908  -1.701  -1.766
+ 6041TIP3    H124432   2.901  -1.797  -1.776
+ 6041TIP3    H224433   2.872  -1.688  -1.676
+ 6042TIP3   OH224434   1.384  -1.510  -1.388
+ 6042TIP3    H124435   1.418  -1.476  -1.472
+ 6042TIP3    H224436   1.464  -1.507  -1.332
+ 6043TIP3   OH224437   2.977  -1.502  -0.849
+ 6043TIP3    H124438   3.048  -1.567  -0.836
+ 6043TIP3    H224439   3.026  -1.422  -0.872
+ 6044TIP3   OH224440   3.129  -1.697  -0.730
+ 6044TIP3    H124441   3.047  -1.747  -0.751
+ 6044TIP3    H224442   3.195  -1.769  -0.733
+ 6045TIP3   OH224443   2.919  -2.095  -2.456
+ 6045TIP3    H124444   2.975  -2.126  -2.382
+ 6045TIP3    H224445   2.832  -2.131  -2.435
+ 6046TIP3   OH224446   2.895  -1.951  -1.949
+ 6046TIP3    H124447   2.920  -2.046  -1.939
+ 6046TIP3    H224448   2.978  -1.915  -1.984
+ 6047TIP3   OH224449   2.921  -1.887  -1.404
+ 6047TIP3    H124450   3.018  -1.880  -1.403
+ 6047TIP3    H224451   2.903  -1.888  -1.308
+ 6048TIP3   OH224452   2.938  -1.818  -1.121
+ 6048TIP3    H124453   2.852  -1.782  -1.095
+ 6048TIP3    H224454   2.988  -1.738  -1.143
+ 6049TIP3   OH224455   3.197  -2.402  -0.590
+ 6049TIP3    H124456   3.233  -2.473  -0.648
+ 6049TIP3    H224457   3.195  -2.327  -0.652
+ 6050TIP3   OH224458   2.946  -2.231  -1.949
+ 6050TIP3    H124459   2.959  -2.262  -1.857
+ 6050TIP3    H224460   2.865  -2.279  -1.974
+ 6051TIP3   OH224461   1.461  -2.107  -1.473
+ 6051TIP3    H124462   1.504  -2.193  -1.463
+ 6051TIP3    H224463   1.530  -2.047  -1.439
+ 6052TIP3   OH224464   1.315  -1.825  -1.354
+ 6052TIP3    H124465   1.372  -1.834  -1.431
+ 6052TIP3    H224466   1.343  -1.737  -1.322
+ 6053TIP3   OH224467   3.129  -2.200  -0.768
+ 6053TIP3    H124468   3.041  -2.159  -0.765
+ 6053TIP3    H224469   3.119  -2.255  -0.848
+ 6054TIP3   OH224470   3.140  -2.172  -2.292
+ 6054TIP3    H124471   3.172  -2.260  -2.320
+ 6054TIP3    H224472   3.223  -2.128  -2.266
+ 6055TIP3   OH224473   1.367  -2.211  -1.965
+ 6055TIP3    H124474   1.272  -2.203  -1.985
+ 6055TIP3    H224475   1.408  -2.149  -2.029
+ 6056TIP3   OH224476   2.828  -0.668  -1.757
+ 6056TIP3    H124477   2.877  -0.708  -1.831
+ 6056TIP3    H224478   2.898  -0.650  -1.694
+ 6057TIP3   OH224479   1.369  -2.326  -1.153
+ 6057TIP3    H124480   1.305  -2.345  -1.083
+ 6057TIP3    H224481   1.317  -2.268  -1.212
+ 6058TIP3   OH224482   3.005  -2.376  -0.966
+ 6058TIP3    H124483   2.933  -2.354  -1.028
+ 6058TIP3    H224484   3.033  -2.464  -0.999
+ 6059TIP3   OH224485   1.850  -0.692  -1.225
+ 6059TIP3    H124486   1.829  -0.667  -1.136
+ 6059TIP3    H224487   1.886  -0.611  -1.265
+ 6060TIP3   OH224488   2.298  -0.635  -1.255
+ 6060TIP3    H124489   2.281  -0.572  -1.326
+ 6060TIP3    H224490   2.310  -0.576  -1.177
+ 6061TIP3   OH224491   2.546  -0.766  -1.186
+ 6061TIP3    H124492   2.456  -0.733  -1.202
+ 6061TIP3    H224493   2.588  -0.684  -1.154
+ 6062TIP3   OH224494   2.823  -0.595  -1.151
+ 6062TIP3    H124495   2.788  -0.511  -1.182
+ 6062TIP3    H224496   2.826  -0.647  -1.234
+ 6063TIP3   OH224497   1.552  -0.769  -1.362
+ 6063TIP3    H124498   1.572  -0.794  -1.271
+ 6063TIP3    H224499   1.634  -0.794  -1.409
+ 6064TIP3   OH224500   1.755  -0.857  -1.546
+ 6064TIP3    H124501   1.743  -0.950  -1.520
+ 6064TIP3    H224502   1.844  -0.837  -1.510
+ 6065TIP3   OH224503   2.026  -0.815  -1.454
+ 6065TIP3    H124504   2.050  -0.907  -1.474
+ 6065TIP3    H224505   2.031  -0.817  -1.356
+ 6066TIP3   OH224506   2.358  -2.226  -1.526
+ 6066TIP3    H124507   2.290  -2.294  -1.510
+ 6066TIP3    H224508   2.422  -2.273  -1.582
+ 6067TIP3   OH224509   2.827  -2.385  -1.465
+ 6067TIP3    H124510   2.915  -2.411  -1.497
+ 6067TIP3    H224511   2.771  -2.394  -1.543
+ 6068TIP3   OH224512   3.056  -2.314  -1.700
+ 6068TIP3    H124513   3.134  -2.359  -1.735
+ 6068TIP3    H224514   3.090  -2.226  -1.675
+ 6069TIP3   OH224515   1.595  -2.356  -1.768
+ 6069TIP3    H124516   1.509  -2.370  -1.812
+ 6069TIP3    H224517   1.638  -2.442  -1.782
+ 6070TIP3   OH224518   1.474  -2.405  -2.184
+ 6070TIP3    H124519   1.528  -2.339  -2.232
+ 6070TIP3    H224520   1.436  -2.352  -2.112
+ 6071TIP3   OH224521   2.042  -2.375  -1.780
+ 6071TIP3    H124522   2.132  -2.341  -1.794
+ 6071TIP3    H224523   2.039  -2.381  -1.684
+ 6072TIP3   OH224524   2.590  -2.366  -1.651
+ 6072TIP3    H124525   2.627  -2.390  -1.737
+ 6072TIP3    H224526   2.561  -2.453  -1.617
+ 6073TIP3   OH224527   2.713  -2.370  -2.044
+ 6073TIP3    H124528   2.632  -2.316  -2.050
+ 6073TIP3    H224529   2.676  -2.458  -2.025
+ 6074TIP3   OH224530   1.492  -0.805  -2.084
+ 6074TIP3    H124531   1.414  -0.815  -2.139
+ 6074TIP3    H224532   1.489  -0.711  -2.064
+ 6075TIP3   OH224533   1.649  -2.228  -2.335
+ 6075TIP3    H124534   1.711  -2.277  -2.391
+ 6075TIP3    H224535   1.710  -2.190  -2.269
+ 6076TIP3   OH224536   2.159  -2.207  -2.075
+ 6076TIP3    H124537   2.193  -2.263  -2.004
+ 6076TIP3    H224538   2.175  -2.119  -2.037
+ 6077TIP3   OH224539   2.367  -0.627  -2.254
+ 6077TIP3    H124540   2.464  -0.629  -2.258
+ 6077TIP3    H224541   2.344  -0.693  -2.320
+ 6078TIP3   OH224542   3.016  -0.726  -1.995
+ 6078TIP3    H124543   2.987  -0.808  -2.039
+ 6078TIP3    H224544   3.006  -0.661  -2.067
+ 6079TIP3   OH224545   1.573  -2.331  -0.820
+ 6079TIP3    H124546   1.539  -2.413  -0.780
+ 6079TIP3    H224547   1.665  -2.332  -0.786
+ 6080TIP3   OH224548   1.815  -2.394  -0.642
+ 6080TIP3    H124549   1.897  -2.429  -0.682
+ 6080TIP3    H224550   1.780  -2.473  -0.600
+ 6081TIP3   OH224551   1.638  -0.714  -2.382
+ 6081TIP3    H124552   1.616  -0.694  -2.290
+ 6081TIP3    H224553   1.715  -0.772  -2.371
+ 6082TIP3   OH224554   2.625  -2.484  -0.625
+ 6082TIP3    H124555   2.630  -2.523  -0.535
+ 6082TIP3    H224556   2.719  -2.485  -0.651
+ 6083TIP3   OH224557   2.954  -0.849  -0.749
+ 6083TIP3    H124558   2.884  -0.865  -0.816
+ 6083TIP3    H224559   2.940  -0.753  -0.737
+ 6084TIP3   OH224560   4.216  -1.576  -1.427
+ 6084TIP3    H124561   4.293  -1.542  -1.377
+ 6084TIP3    H224562   4.247  -1.571  -1.518
+ 6085TIP3   OH224563   3.513  -1.578  -1.271
+ 6085TIP3    H124564   3.509  -1.651  -1.208
+ 6085TIP3    H224565   3.583  -1.523  -1.233
+ 6086TIP3   OH224566   3.587  -1.115  -1.413
+ 6086TIP3    H124567   3.559  -1.204  -1.441
+ 6086TIP3    H224568   3.681  -1.131  -1.398
+ 6087TIP3   OH224569   3.283  -1.774  -1.885
+ 6087TIP3    H124570   3.243  -1.687  -1.865
+ 6087TIP3    H224571   3.205  -1.824  -1.913
+ 6088TIP3   OH224572   3.358  -1.529  -1.696
+ 6088TIP3    H124573   3.372  -1.606  -1.637
+ 6088TIP3    H224574   3.445  -1.519  -1.736
+ 6089TIP3   OH224575   4.120  -1.287  -1.365
+ 6089TIP3    H124576   4.145  -1.358  -1.426
+ 6089TIP3    H224577   4.205  -1.263  -1.326
+ 6090TIP3   OH224578   3.747  -2.051  -1.619
+ 6090TIP3    H124579   3.758  -1.964  -1.664
+ 6090TIP3    H224580   3.708  -2.103  -1.692
+ 6091TIP3   OH224581   3.413  -1.779  -1.569
+ 6091TIP3    H124582   3.473  -1.827  -1.510
+ 6091TIP3    H224583   3.423  -1.829  -1.652
+ 6092TIP3   OH224584   3.952  -1.643  -1.621
+ 6092TIP3    H124585   4.026  -1.695  -1.585
+ 6092TIP3    H224586   3.901  -1.712  -1.667
+ 6093TIP3   OH224587   3.626  -2.171  -1.203
+ 6093TIP3    H124588   3.585  -2.122  -1.276
+ 6093TIP3    H224589   3.558  -2.162  -1.133
+ 6094TIP3   OH224590   3.917  -1.390  -1.187
+ 6094TIP3    H124591   3.843  -1.330  -1.163
+ 6094TIP3    H224592   3.980  -1.330  -1.229
+ 6095TIP3   OH224593   3.585  -1.969  -1.409
+ 6095TIP3    H124594   3.648  -1.910  -1.364
+ 6095TIP3    H224595   3.642  -2.006  -1.479
+ 6096TIP3   OH224596   3.716  -1.197  -1.114
+ 6096TIP3    H124597   3.712  -1.107  -1.151
+ 6096TIP3    H224598   3.627  -1.202  -1.074
+ 6097TIP3   OH224599   3.348  -1.227  -2.029
+ 6097TIP3    H124600   3.328  -1.175  -2.108
+ 6097TIP3    H224601   3.366  -1.158  -1.961
+ 6098TIP3   OH224602   4.043  -2.426  -1.487
+ 6098TIP3    H124603   4.014  -2.519  -1.490
+ 6098TIP3    H224604   3.963  -2.382  -1.453
+ 6099TIP3   OH224605   4.266  -1.548  -2.029
+ 6099TIP3    H124606   4.200  -1.477  -2.037
+ 6099TIP3    H224607   4.336  -1.513  -2.084
+ 6100TIP3   OH224608   4.287  -1.700  -2.304
+ 6100TIP3    H124609   4.372  -1.692  -2.257
+ 6100TIP3    H224610   4.302  -1.772  -2.366
+ 6101TIP3   OH224611   3.759  -1.454  -1.730
+ 6101TIP3    H124612   3.729  -1.498  -1.812
+ 6101TIP3    H224613   3.824  -1.518  -1.696
+ 6102TIP3   OH224614   3.897  -1.115  -1.454
+ 6102TIP3    H124615   3.888  -1.153  -1.542
+ 6102TIP3    H224616   3.977  -1.160  -1.421
+ 6103TIP3   OH224617   3.816  -1.574  -1.380
+ 6103TIP3    H124618   3.875  -1.572  -1.459
+ 6103TIP3    H224619   3.855  -1.505  -1.323
+ 6104TIP3   OH224620   3.902  -1.137  -0.897
+ 6104TIP3    H124621   3.849  -1.068  -0.854
+ 6104TIP3    H224622   3.841  -1.165  -0.968
+ 6105TIP3   OH224623   3.596  -1.504  -0.984
+ 6105TIP3    H124624   3.599  -1.444  -0.908
+ 6105TIP3    H224625   3.499  -1.512  -0.997
+ 6106TIP3   OH224626   4.243  -0.928  -1.808
+ 6106TIP3    H124627   4.299  -0.881  -1.745
+ 6106TIP3    H224628   4.195  -0.857  -1.851
+ 6107TIP3   OH224629   3.713  -0.923  -0.816
+ 6107TIP3    H124630   3.702  -0.915  -0.912
+ 6107TIP3    H224631   3.623  -0.946  -0.786
+ 6108TIP3   OH224632   3.652  -1.579  -1.977
+ 6108TIP3    H124633   3.630  -1.502  -2.033
+ 6108TIP3    H224634   3.582  -1.641  -2.000
+ 6109TIP3   OH224635   3.259  -1.307  -1.109
+ 6109TIP3    H124636   3.210  -1.296  -1.193
+ 6109TIP3    H224637   3.261  -1.403  -1.100
+ 6110TIP3   OH224638   3.300  -0.999  -1.437
+ 6110TIP3    H124639   3.373  -1.053  -1.402
+ 6110TIP3    H224640   3.232  -1.009  -1.368
+ 6111TIP3   OH224641   4.175  -1.039  -0.941
+ 6111TIP3    H124642   4.179  -0.946  -0.913
+ 6111TIP3    H224643   4.081  -1.062  -0.928
+ 6112TIP3   OH224644   4.169  -0.641  -1.967
+ 6112TIP3    H124645   4.223  -0.654  -2.045
+ 6112TIP3    H224646   4.216  -0.570  -1.921
+ 6113TIP3   OH224647   3.572  -0.738  -1.793
+ 6113TIP3    H124648   3.590  -0.783  -1.708
+ 6113TIP3    H224649   3.488  -0.779  -1.819
+ 6114TIP3   OH224650   3.472  -1.156  -0.979
+ 6114TIP3    H124651   3.500  -1.207  -0.901
+ 6114TIP3    H224652   3.398  -1.208  -1.015
+ 6115TIP3   OH224653   3.798  -2.308  -1.407
+ 6115TIP3    H124654   3.714  -2.318  -1.455
+ 6115TIP3    H224655   3.773  -2.237  -1.346
+ 6116TIP3   OH224656   4.233  -2.373  -0.977
+ 6116TIP3    H124657   4.244  -2.446  -0.914
+ 6116TIP3    H224658   4.141  -2.389  -1.008
+ 6117TIP3   OH224659   4.235  -2.095  -2.300
+ 6117TIP3    H124660   4.167  -2.110  -2.233
+ 6117TIP3    H224661   4.205  -2.156  -2.369
+ 6118TIP3   OH224662   3.782  -1.828  -1.260
+ 6118TIP3    H124663   3.715  -1.819  -1.190
+ 6118TIP3    H224664   3.786  -1.737  -1.298
+ 6119TIP3   OH224665   3.775  -1.822  -1.774
+ 6119TIP3    H124666   3.678  -1.830  -1.788
+ 6119TIP3    H224667   3.807  -1.840  -1.865
+ 6120TIP3   OH224668   4.298  -1.804  -1.894
+ 6120TIP3    H124669   4.268  -1.711  -1.895
+ 6120TIP3    H224670   4.314  -1.819  -1.987
+ 6121TIP3   OH224671   4.254  -1.738  -0.739
+ 6121TIP3    H124672   4.194  -1.816  -0.729
+ 6121TIP3    H224673   4.339  -1.787  -0.742
+ 6122TIP3   OH224674   3.523  -1.814  -1.081
+ 6122TIP3    H124675   3.537  -1.781  -0.991
+ 6122TIP3    H224676   3.480  -1.900  -1.063
+ 6123TIP3   OH224677   3.864  -2.051  -2.422
+ 6123TIP3    H124678   3.824  -2.085  -2.340
+ 6123TIP3    H224679   3.787  -2.037  -2.478
+ 6124TIP3   OH224680   3.203  -2.062  -1.719
+ 6124TIP3    H124681   3.258  -2.068  -1.638
+ 6124TIP3    H224682   3.254  -2.112  -1.784
+ 6125TIP3   OH224683   3.355  -2.026  -2.148
+ 6125TIP3    H124684   3.414  -1.975  -2.208
+ 6125TIP3    H224685   3.290  -1.957  -2.123
+ 6126TIP3   OH224686   4.353  -1.689  -1.134
+ 6126TIP3    H124687   4.379  -1.753  -1.204
+ 6126TIP3    H224688   4.271  -1.729  -1.104
+ 6127TIP3   OH224689   4.045  -2.088  -1.668
+ 6127TIP3    H124690   3.952  -2.075  -1.645
+ 6127TIP3    H224691   4.087  -2.059  -1.585
+ 6128TIP3   OH224692   3.510  -1.939  -1.805
+ 6128TIP3    H124693   3.427  -1.913  -1.848
+ 6128TIP3    H224694   3.536  -2.020  -1.853
+ 6129TIP3   OH224695   3.866  -1.910  -2.041
+ 6129TIP3    H124696   3.962  -1.901  -2.030
+ 6129TIP3    H224697   3.843  -1.844  -2.108
+ 6130TIP3   OH224698   3.719  -1.782  -2.261
+ 6130TIP3    H124699   3.661  -1.810  -2.333
+ 6130TIP3    H224700   3.802  -1.765  -2.309
+ 6131TIP3   OH224701   3.586  -1.310  -0.758
+ 6131TIP3    H124702   3.648  -1.294  -0.685
+ 6131TIP3    H224703   3.502  -1.312  -0.708
+ 6132TIP3   OH224704   4.141  -1.852  -1.533
+ 6132TIP3    H124705   4.223  -1.885  -1.572
+ 6132TIP3    H224706   4.161  -1.857  -1.438
+ 6133TIP3   OH224707   3.682  -2.168  -1.876
+ 6133TIP3    H124708   3.625  -2.244  -1.856
+ 6133TIP3    H224709   3.764  -2.210  -1.906
+ 6134TIP3   OH224710   4.050  -1.973  -1.261
+ 6134TIP3    H124711   3.978  -1.909  -1.275
+ 6134TIP3    H224712   4.099  -1.933  -1.187
+ 6135TIP3   OH224713   4.072  -1.342  -2.069
+ 6135TIP3    H124714   3.993  -1.385  -2.106
+ 6135TIP3    H224715   4.048  -1.329  -1.974
+ 6136TIP3   OH224716   4.213  -1.337  -0.944
+ 6136TIP3    H124717   4.180  -1.347  -0.854
+ 6136TIP3    H224718   4.214  -1.241  -0.958
+ 6137TIP3   OH224719   3.581  -1.384  -1.492
+ 6137TIP3    H124720   3.636  -1.397  -1.571
+ 6137TIP3    H224721   3.583  -1.471  -1.451
+ 6138TIP3   OH224722   4.286  -1.201  -2.170
+ 6138TIP3    H124723   4.261  -1.109  -2.146
+ 6138TIP3    H224724   4.208  -1.250  -2.138
+ 6139TIP3   OH224725   3.307  -1.558  -0.966
+ 6139TIP3    H124726   3.316  -1.604  -0.880
+ 6139TIP3    H224727   3.244  -1.613  -1.015
+ 6140TIP3   OH224728   4.002  -1.606  -0.761
+ 6140TIP3    H124729   3.961  -1.639  -0.843
+ 6140TIP3    H224730   4.095  -1.633  -0.774
+ 6141TIP3   OH224731   3.815  -1.057  -1.768
+ 6141TIP3    H124732   3.858  -0.971  -1.780
+ 6141TIP3    H224733   3.723  -1.036  -1.788
+ 6142TIP3   OH224734   3.410  -1.564  -2.316
+ 6142TIP3    H124735   3.470  -1.503  -2.270
+ 6142TIP3    H224736   3.326  -1.547  -2.269
+ 6143TIP3   OH224737   3.995  -1.289  -1.806
+ 6143TIP3    H124738   3.971  -1.197  -1.791
+ 6143TIP3    H224739   3.921  -1.336  -1.763
+ 6144TIP3   OH224740   4.020  -0.857  -1.165
+ 6144TIP3    H124741   4.076  -0.786  -1.201
+ 6144TIP3    H224742   4.086  -0.910  -1.118
+ 6145TIP3   OH224743   3.859  -0.767  -1.845
+ 6145TIP3    H124744   3.764  -0.750  -1.836
+ 6145TIP3    H224745   3.897  -0.680  -1.823
+ 6146TIP3   OH224746   3.435  -2.091  -1.001
+ 6146TIP3    H124747   3.345  -2.066  -1.031
+ 6146TIP3    H224748   3.418  -2.181  -0.968
+ 6147TIP3   OH224749   3.417  -0.913  -1.162
+ 6147TIP3    H124750   3.436  -1.007  -1.149
+ 6147TIP3    H224751   3.438  -0.877  -1.075
+ 6148TIP3   OH224752   3.987  -1.047  -2.465
+ 6148TIP3    H124753   4.033  -1.120  -2.511
+ 6148TIP3    H224754   3.959  -1.092  -2.384
+ 6149TIP3   OH224755   3.880  -1.106  -2.183
+ 6149TIP3    H124756   3.936  -1.155  -2.121
+ 6149TIP3    H224757   3.898  -1.013  -2.158
+ 6150TIP3   OH224758   3.562  -1.357  -2.155
+ 6150TIP3    H124759   3.493  -1.316  -2.099
+ 6150TIP3    H224760   3.616  -1.279  -2.179
+ 6151TIP3   OH224761   4.339  -2.064  -1.095
+ 6151TIP3    H124762   4.380  -2.145  -1.063
+ 6151TIP3    H224763   4.276  -2.098  -1.161
+ 6152TIP3   OH224764   4.163  -0.942  -2.137
+ 6152TIP3    H124765   4.090  -0.882  -2.116
+ 6152TIP3    H224766   4.224  -0.885  -2.185
+ 6153TIP3   OH224767   4.115  -1.995  -1.928
+ 6153TIP3    H124768   4.188  -1.932  -1.905
+ 6153TIP3    H224769   4.081  -2.012  -1.838
+ 6154TIP3   OH224770   4.160  -1.883  -1.008
+ 6154TIP3    H124771   4.185  -1.824  -0.936
+ 6154TIP3    H224772   4.236  -1.944  -1.014
+ 6155TIP3   OH224773   4.195  -2.271  -1.810
+ 6155TIP3    H124774   4.165  -2.192  -1.759
+ 6155TIP3    H224775   4.272  -2.234  -1.857
+ 6156TIP3   OH224776   3.889  -0.830  -2.130
+ 6156TIP3    H124777   3.891  -0.747  -2.182
+ 6156TIP3    H224778   3.882  -0.797  -2.039
+ 6157TIP3   OH224779   3.769  -2.161  -2.187
+ 6157TIP3    H124780   3.768  -2.087  -2.123
+ 6157TIP3    H224781   3.849  -2.210  -2.159
+ 6158TIP3   OH224782   3.609  -1.073  -2.280
+ 6158TIP3    H124783   3.680  -1.024  -2.236
+ 6158TIP3    H224784   3.662  -1.126  -2.341
+ 6159TIP3   OH224785   3.424  -1.855  -2.364
+ 6159TIP3    H124786   3.440  -1.761  -2.345
+ 6159TIP3    H224787   3.335  -1.854  -2.398
+ 6160TIP3   OH224788   3.521  -2.356  -1.484
+ 6160TIP3    H124789   3.493  -2.359  -1.577
+ 6160TIP3    H224790   3.481  -2.439  -1.447
+ 6161TIP3   OH224791   3.402  -1.009  -1.863
+ 6161TIP3    H124792   3.332  -0.956  -1.824
+ 6161TIP3    H224793   3.441  -0.948  -1.928
+ 6162TIP3   OH224794   3.342  -0.707  -0.737
+ 6162TIP3    H124795   3.389  -0.736  -0.657
+ 6162TIP3    H224796   3.293  -0.786  -0.764
+ 6163TIP3   OH224797   3.811  -0.813  -0.560
+ 6163TIP3    H124798   3.885  -0.874  -0.548
+ 6163TIP3    H224799   3.787  -0.830  -0.653
+ 6164TIP3   OH224800   4.231  -0.881  -2.443
+ 6164TIP3    H124801   4.153  -0.938  -2.432
+ 6164TIP3    H224802   4.300  -0.950  -2.443
+ 6165TIP3   OH224803   3.342  -1.349  -0.630
+ 6165TIP3    H124804   3.350  -1.439  -0.667
+ 6165TIP3    H224805   3.265  -1.317  -0.681
+ 6166TIP3   OH224806   3.760  -1.308  -2.430
+ 6166TIP3    H124807   3.782  -1.366  -2.355
+ 6166TIP3    H224808   3.847  -1.307  -2.476
+ 6167TIP3   OH224809   4.007  -1.330  -0.698
+ 6167TIP3    H124810   3.978  -1.296  -0.785
+ 6167TIP3    H224811   4.015  -1.426  -0.715
+ 6168TIP3   OH224812   4.248  -1.170  -2.469
+ 6168TIP3    H124813   4.288  -1.158  -2.381
+ 6168TIP3    H224814   4.253  -1.266  -2.478
+ 6169TIP3   OH224815   3.428  -1.632  -0.712
+ 6169TIP3    H124816   3.496  -1.701  -0.711
+ 6169TIP3    H224817   3.415  -1.617  -0.617
+ 6170TIP3   OH224818   3.868  -1.500  -2.198
+ 6170TIP3    H124819   3.809  -1.552  -2.142
+ 6170TIP3    H224820   3.902  -1.568  -2.259
+ 6171TIP3   OH224821   3.800  -1.714  -0.961
+ 6171TIP3    H124822   3.736  -1.640  -0.954
+ 6171TIP3    H224823   3.849  -1.690  -1.041
+ 6172TIP3   OH224824   3.979  -1.702  -2.368
+ 6172TIP3    H124825   3.971  -1.690  -2.464
+ 6172TIP3    H224826   4.074  -1.686  -2.355
+ 6173TIP3   OH224827   4.285  -1.469  -0.598
+ 6173TIP3    H124828   4.352  -1.499  -0.660
+ 6173TIP3    H224829   4.267  -1.553  -0.552
+ 6174TIP3   OH224830   3.858  -1.991  -0.854
+ 6174TIP3    H124831   3.861  -2.058  -0.924
+ 6174TIP3    H224832   3.840  -1.910  -0.905
+ 6175TIP3   OH224833   3.887  -2.148  -1.112
+ 6175TIP3    H124834   3.935  -2.090  -1.175
+ 6175TIP3    H224835   3.795  -2.145  -1.146
+ 6176TIP3   OH224836   4.072  -1.607  -1.079
+ 6176TIP3    H124837   4.135  -1.607  -1.152
+ 6176TIP3    H224838   4.028  -1.522  -1.092
+ 6177TIP3   OH224839   3.682  -1.813  -0.667
+ 6177TIP3    H124840   3.622  -1.890  -0.676
+ 6177TIP3    H224841   3.755  -1.839  -0.726
+ 6178TIP3   OH224842   3.971  -2.410  -1.076
+ 6178TIP3    H124843   3.947  -2.316  -1.093
+ 6178TIP3    H224844   3.904  -2.456  -1.130
+ 6179TIP3   OH224845   4.103  -1.963  -0.699
+ 6179TIP3    H124846   4.061  -1.993  -0.617
+ 6179TIP3    H224847   4.032  -1.984  -0.763
+ 6180TIP3   OH224848   3.543  -2.063  -0.694
+ 6180TIP3    H124849   3.530  -2.133  -0.761
+ 6180TIP3    H224850   3.516  -2.111  -0.613
+ 6181TIP3   OH224851   3.946  -2.463  -0.793
+ 6181TIP3    H124852   4.005  -2.539  -0.791
+ 6181TIP3    H224853   3.939  -2.447  -0.889
+ 6182TIP3   OH224854   4.036  -2.282  -0.600
+ 6182TIP3    H124855   4.009  -2.338  -0.675
+ 6182TIP3    H224856   3.969  -2.211  -0.604
+ 6183TIP3   OH224857   3.955  -0.576  -2.258
+ 6183TIP3    H124858   4.052  -0.570  -2.249
+ 6183TIP3    H224859   3.941  -0.534  -2.343
+ 6184TIP3   OH224860   3.329  -1.137  -2.311
+ 6184TIP3    H124861   3.425  -1.120  -2.295
+ 6184TIP3    H224862   3.333  -1.213  -2.373
+ 6185TIP3   OH224863   3.234  -0.615  -1.833
+ 6185TIP3    H124864   3.161  -0.653  -1.885
+ 6185TIP3    H224865   3.244  -0.683  -1.763
+ 6186TIP3   OH224866   3.273  -0.812  -1.640
+ 6186TIP3    H124867   3.251  -0.901  -1.605
+ 6186TIP3    H224868   3.302  -0.775  -1.555
+ 6187TIP3   OH224869   3.268  -1.478  -1.390
+ 6187TIP3    H124870   3.282  -1.450  -1.481
+ 6187TIP3    H224871   3.360  -1.482  -1.356
+ 6188TIP3   OH224872   3.275  -1.942  -0.746
+ 6188TIP3    H124873   3.366  -1.974  -0.755
+ 6188TIP3    H224874   3.225  -2.026  -0.749
+ 6189TIP3   OH224875   3.349  -2.111  -1.479
+ 6189TIP3    H124876   3.391  -2.197  -1.463
+ 6189TIP3    H224877   3.414  -2.051  -1.439
+ 6190TIP3   OH224878   3.208  -1.846  -1.368
+ 6190TIP3    H124879   3.262  -1.841  -1.449
+ 6190TIP3    H224880   3.235  -1.766  -1.322
+ 6191TIP3   OH224881   3.254  -2.217  -1.972
+ 6191TIP3    H124882   3.158  -2.204  -1.980
+ 6191TIP3    H224883   3.291  -2.147  -2.030
+ 6192TIP3   OH224884   3.257  -2.307  -1.140
+ 6192TIP3    H124885   3.191  -2.363  -1.098
+ 6192TIP3    H224886   3.206  -2.273  -1.216
+ 6193TIP3   OH224887   3.455  -1.013  -0.677
+ 6193TIP3    H124888   3.386  -1.010  -0.746
+ 6193TIP3    H224889   3.403  -1.011  -0.596
+ 6194TIP3   OH224890   3.742  -0.911  -1.110
+ 6194TIP3    H124891   3.707  -0.828  -1.149
+ 6194TIP3    H224892   3.837  -0.900  -1.131
+ 6195TIP3   OH224893   4.219  -0.749  -0.825
+ 6195TIP3    H124894   4.205  -0.785  -0.736
+ 6195TIP3    H224895   4.314  -0.726  -0.819
+ 6196TIP3   OH224896   3.480  -0.614  -1.079
+ 6196TIP3    H124897   3.417  -0.559  -1.128
+ 6196TIP3    H224898   3.444  -0.606  -0.990
+ 6197TIP3   OH224899   3.731  -0.637  -1.221
+ 6197TIP3    H124900   3.643  -0.623  -1.180
+ 6197TIP3    H224901   3.731  -0.571  -1.292
+ 6198TIP3   OH224902   4.196  -0.662  -1.267
+ 6198TIP3    H124903   4.178  -0.616  -1.351
+ 6198TIP3    H224904   4.257  -0.603  -1.223
+ 6199TIP3   OH224905   3.440  -0.729  -1.382
+ 6199TIP3    H124906   3.426  -0.787  -1.304
+ 6199TIP3    H224907   3.505  -0.784  -1.431
+ 6200TIP3   OH224908   3.636  -0.863  -1.546
+ 6200TIP3    H124909   3.617  -0.954  -1.515
+ 6200TIP3    H224910   3.726  -0.848  -1.510
+ 6201TIP3   OH224911   3.914  -0.812  -1.454
+ 6201TIP3    H124912   3.934  -0.904  -1.477
+ 6201TIP3    H224913   3.919  -0.817  -1.357
+ 6202TIP3   OH224914   4.270  -2.266  -1.517
+ 6202TIP3    H124915   4.182  -2.307  -1.507
+ 6202TIP3    H224916   4.293  -2.294  -1.606
+ 6203TIP3   OH224917   3.483  -2.354  -1.773
+ 6203TIP3    H124918   3.394  -2.370  -1.812
+ 6203TIP3    H224919   3.523  -2.443  -1.779
+ 6204TIP3   OH224920   3.351  -2.401  -2.187
+ 6204TIP3    H124921   3.412  -2.338  -2.229
+ 6204TIP3    H224922   3.322  -2.352  -2.108
+ 6205TIP3   OH224923   3.933  -2.374  -1.780
+ 6205TIP3    H124924   4.025  -2.343  -1.786
+ 6205TIP3    H224925   3.923  -2.381  -1.684
+ 6206TIP3   OH224926   3.382  -0.810  -2.066
+ 6206TIP3    H124927   3.315  -0.820  -2.136
+ 6206TIP3    H224928   3.379  -0.715  -2.051
+ 6207TIP3   OH224929   3.533  -2.225  -2.339
+ 6207TIP3    H124930   3.596  -2.281  -2.387
+ 6207TIP3    H224931   3.592  -2.190  -2.268
+ 6208TIP3   OH224932   4.063  -2.211  -2.082
+ 6208TIP3    H124933   4.062  -2.272  -2.007
+ 6208TIP3    H224934   4.061  -2.125  -2.035
+ 6209TIP3   OH224935   4.271  -0.621  -2.279
+ 6209TIP3    H124936   4.364  -0.621  -2.249
+ 6209TIP3    H224937   4.264  -0.706  -2.325
+ 6210TIP3   OH224938   3.459  -2.328  -0.806
+ 6210TIP3    H124939   3.419  -2.414  -0.781
+ 6210TIP3    H224940   3.553  -2.346  -0.792
+ 6211TIP3   OH224941   3.704  -2.392  -0.635
+ 6211TIP3    H124942   3.783  -2.430  -0.679
+ 6211TIP3    H224943   3.661  -2.472  -0.601
+ 6212TIP3   OH224944   3.522  -0.718  -2.386
+ 6212TIP3    H124945   3.500  -0.691  -2.295
+ 6212TIP3    H224946   3.600  -0.774  -2.372
+ 6213TIP3   OH224947  -3.161   0.403  -1.739
+ 6213TIP3    H124948  -3.158   0.499  -1.729
+ 6213TIP3    H224949  -3.235   0.390  -1.799
+ 6214TIP3   OH224950  -3.281   0.349  -1.433
+ 6214TIP3    H124951  -3.278   0.291  -1.356
+ 6214TIP3    H224952  -3.303   0.287  -1.504
+ 6215TIP3   OH224953  -4.028   0.308  -1.270
+ 6215TIP3    H124954  -4.033   0.234  -1.207
+ 6215TIP3    H224955  -3.959   0.362  -1.230
+ 6216TIP3   OH224956  -2.910   0.614  -1.612
+ 6216TIP3    H124957  -2.945   0.542  -1.559
+ 6216TIP3    H224958  -2.883   0.677  -1.543
+ 6217TIP3   OH224959  -3.960   0.770  -1.421
+ 6217TIP3    H124960  -3.988   0.679  -1.446
+ 6217TIP3    H224961  -3.867   0.754  -1.398
+ 6218TIP3   OH224962  -4.221   0.146  -2.014
+ 6218TIP3    H124963  -4.253   0.219  -1.960
+ 6218TIP3    H224964  -4.288   0.078  -1.994
+ 6219TIP3   OH224965  -4.206   0.344  -1.715
+ 6219TIP3    H124966  -4.187   0.282  -1.642
+ 6219TIP3    H224967  -4.120   0.386  -1.729
+ 6220TIP3   OH224968  -3.198   1.161  -1.545
+ 6220TIP3    H124969  -3.143   1.088  -1.578
+ 6220TIP3    H224970  -3.229   1.125  -1.461
+ 6221TIP3   OH224971  -3.425   0.601  -1.378
+ 6221TIP3    H124972  -3.394   0.526  -1.433
+ 6221TIP3    H224973  -3.344   0.616  -1.327
+ 6222TIP3   OH224974  -3.095   0.034  -1.328
+ 6222TIP3    H124975  -3.084  -0.062  -1.319
+ 6222TIP3    H224976  -3.105   0.044  -1.424
+ 6223TIP3   OH224977  -3.800  -0.167  -1.619
+ 6223TIP3    H124978  -3.786  -0.082  -1.666
+ 6223TIP3    H224979  -3.833  -0.222  -1.693
+ 6224TIP3   OH224980  -3.015  -0.149  -1.788
+ 6224TIP3    H124981  -2.955  -0.190  -1.722
+ 6224TIP3    H224982  -2.952  -0.099  -1.842
+ 6225TIP3   OH224983  -4.138   0.108  -1.567
+ 6225TIP3    H124984  -4.080   0.067  -1.501
+ 6225TIP3    H224985  -4.118   0.052  -1.645
+ 6226TIP3   OH224986  -3.593   0.246  -1.622
+ 6226TIP3    H124987  -3.522   0.191  -1.584
+ 6226TIP3    H224988  -3.643   0.178  -1.672
+ 6227TIP3   OH224989  -3.918  -0.283  -1.201
+ 6227TIP3    H124990  -3.965  -0.244  -1.276
+ 6227TIP3    H224991  -3.981  -0.266  -1.129
+ 6228TIP3   OH224992  -3.166   0.694  -1.866
+ 6228TIP3    H124993  -3.206   0.662  -1.947
+ 6228TIP3    H224994  -3.217   0.775  -1.847
+ 6229TIP3   OH224995  -3.625   0.501  -1.191
+ 6229TIP3    H124996  -3.699   0.561  -1.165
+ 6229TIP3    H224997  -3.563   0.563  -1.234
+ 6230TIP3   OH224998  -2.825  -0.215  -1.572
+ 6230TIP3    H124999  -2.874  -0.270  -1.509
+ 6230TIP3    H225000  -2.775  -0.155  -1.514
+ 6231TIP3   OH225001  -3.958  -0.077  -1.413
+ 6231TIP3    H125002  -3.892  -0.023  -1.365
+ 6231TIP3    H225003  -3.901  -0.117  -1.482
+ 6232TIP3   OH225004  -3.828   0.687  -1.120
+ 6232TIP3    H125005  -3.830   0.781  -1.148
+ 6232TIP3    H225006  -3.915   0.680  -1.077
+ 6233TIP3   OH225007  -4.182   0.654  -2.029
+ 6233TIP3    H125008  -4.265   0.670  -2.079
+ 6233TIP3    H225009  -4.192   0.712  -1.951
+ 6234TIP3   OH225010  -2.857   0.799  -1.392
+ 6234TIP3    H125011  -2.952   0.816  -1.378
+ 6234TIP3    H225012  -2.825   0.890  -1.408
+ 6235TIP3   OH225013  -2.790  -0.293  -1.215
+ 6235TIP3    H125014  -2.877  -0.270  -1.250
+ 6235TIP3    H225015  -2.731  -0.276  -1.290
+ 6236TIP3   OH225016  -3.503  -0.539  -1.492
+ 6236TIP3    H125017  -3.528  -0.633  -1.500
+ 6236TIP3    H225018  -3.587  -0.500  -1.457
+ 6237TIP3   OH225019  -3.022   0.998  -1.695
+ 6237TIP3    H125020  -2.976   0.916  -1.724
+ 6237TIP3    H225021  -2.954   1.065  -1.708
+ 6238TIP3   OH225022  -2.876   0.787  -1.834
+ 6238TIP3    H125023  -2.924   0.738  -1.903
+ 6238TIP3    H225024  -2.880   0.721  -1.762
+ 6239TIP3   OH225025  -2.773   0.678  -0.977
+ 6239TIP3    H125026  -2.738   0.606  -1.032
+ 6239TIP3    H225027  -2.716   0.752  -1.001
+ 6240TIP3   OH225028  -3.295   0.359  -2.015
+ 6240TIP3    H125029  -3.361   0.416  -2.059
+ 6240TIP3    H225030  -3.223   0.358  -2.080
+ 6241TIP3   OH225031  -3.260   0.173  -2.318
+ 6241TIP3    H125032  -3.188   0.202  -2.260
+ 6241TIP3    H225033  -3.217   0.105  -2.371
+ 6242TIP3   OH225034  -2.592   0.287  -1.251
+ 6242TIP3    H125035  -2.653   0.362  -1.237
+ 6242TIP3    H225036  -2.514   0.332  -1.288
+ 6243TIP3   OH225037  -2.947   0.356  -1.910
+ 6243TIP3    H125038  -3.011   0.374  -1.838
+ 6243TIP3    H225039  -2.878   0.305  -1.861
+ 6244TIP3   OH225040  -2.954   0.204  -1.026
+ 6244TIP3    H125041  -2.957   0.280  -0.966
+ 6244TIP3    H225042  -3.014   0.236  -1.095
+ 6245TIP3   OH225043  -3.781   0.435  -1.732
+ 6245TIP3    H125044  -3.815   0.389  -1.812
+ 6245TIP3    H225045  -3.719   0.370  -1.696
+ 6246TIP3   OH225046  -3.645   0.776  -1.457
+ 6246TIP3    H125047  -3.658   0.734  -1.543
+ 6246TIP3    H225048  -3.567   0.728  -1.424
+ 6247TIP3   OH225049  -3.729   0.319  -1.384
+ 6247TIP3    H125050  -3.669   0.318  -1.461
+ 6247TIP3    H225051  -3.686   0.382  -1.323
+ 6248TIP3   OH225052  -3.138   0.871  -1.322
+ 6248TIP3    H125053  -3.127   0.932  -1.248
+ 6248TIP3    H225054  -3.155   0.785  -1.278
+ 6249TIP3   OH225055  -3.640   0.749  -0.900
+ 6249TIP3    H125056  -3.693   0.810  -0.846
+ 6249TIP3    H225057  -3.706   0.720  -0.966
+ 6250TIP3   OH225058  -3.050   0.303  -2.163
+ 6250TIP3    H125059  -3.001   0.325  -2.080
+ 6250TIP3    H225060  -2.997   0.354  -2.230
+ 6251TIP3   OH225061  -3.956   0.384  -0.983
+ 6251TIP3    H125062  -3.948   0.443  -0.906
+ 6251TIP3    H225063  -4.053   0.377  -0.991
+ 6252TIP3   OH225064  -3.302   0.963  -1.808
+ 6252TIP3    H125065  -3.256   0.988  -1.727
+ 6252TIP3    H225066  -3.354   1.042  -1.830
+ 6253TIP3   OH225067  -3.836   0.969  -0.814
+ 6253TIP3    H125068  -3.842   0.966  -0.911
+ 6253TIP3    H225069  -3.926   0.945  -0.785
+ 6254TIP3   OH225070  -2.701  -0.530  -2.210
+ 6254TIP3    H125071  -2.790  -0.518  -2.174
+ 6254TIP3    H225072  -2.673  -0.437  -2.223
+ 6255TIP3   OH225073  -3.892   0.308  -1.977
+ 6255TIP3    H125074  -3.917   0.383  -2.033
+ 6255TIP3    H225075  -3.959   0.242  -2.002
+ 6256TIP3   OH225076  -2.567   0.889  -2.360
+ 6256TIP3    H125077  -2.551   0.982  -2.334
+ 6256TIP3    H225078  -2.480   0.848  -2.342
+ 6257TIP3   OH225079  -4.272   0.591  -1.125
+ 6257TIP3    H125080  -4.287   0.555  -1.214
+ 6257TIP3    H225081  -4.303   0.517  -1.070
+ 6258TIP3   OH225082  -4.280   0.874  -1.429
+ 6258TIP3    H125083  -4.199   0.826  -1.410
+ 6258TIP3    H225084  -4.299   0.917  -1.345
+ 6259TIP3   OH225085  -3.378   0.852  -0.956
+ 6259TIP3    H125086  -3.371   0.933  -0.902
+ 6259TIP3    H225087  -3.468   0.821  -0.931
+ 6260TIP3   OH225088  -3.353   1.235  -1.956
+ 6260TIP3    H125089  -3.349   1.242  -2.053
+ 6260TIP3    H225090  -3.342   1.327  -1.927
+ 6261TIP3   OH225091  -3.978   1.147  -1.792
+ 6261TIP3    H125092  -3.953   1.105  -1.707
+ 6261TIP3    H225093  -4.056   1.092  -1.814
+ 6262TIP3   OH225094  -3.020   1.175  -2.241
+ 6262TIP3    H125095  -2.961   1.110  -2.284
+ 6262TIP3    H225096  -3.025   1.139  -2.150
+ 6263TIP3   OH225097  -3.080   1.119  -1.958
+ 6263TIP3    H125098  -3.176   1.128  -1.943
+ 6263TIP3    H225099  -3.061   1.046  -1.898
+ 6264TIP3   OH225100  -2.765   0.071  -0.772
+ 6264TIP3    H125101  -2.791   0.105  -0.858
+ 6264TIP3    H225102  -2.723  -0.013  -0.797
+ 6265TIP3   OH225103  -4.071   0.730  -0.977
+ 6265TIP3    H125104  -4.042   0.674  -0.902
+ 6265TIP3    H225105  -4.146   0.679  -1.015
+ 6266TIP3   OH225106  -3.747  -0.423  -1.403
+ 6266TIP3    H125107  -3.829  -0.432  -1.455
+ 6266TIP3    H225108  -3.772  -0.350  -1.345
+ 6267TIP3   OH225109  -3.311  -0.464  -1.040
+ 6267TIP3    H125110  -3.259  -0.516  -0.975
+ 6267TIP3    H225111  -3.401  -0.498  -1.027
+ 6268TIP3   OH225112  -2.978  -0.091  -0.986
+ 6268TIP3    H125113  -3.035  -0.109  -0.909
+ 6268TIP3    H225114  -2.988   0.005  -0.999
+ 6269TIP3   OH225115  -2.891   0.419  -2.355
+ 6269TIP3    H125116  -2.914   0.395  -2.448
+ 6269TIP3    H225117  -2.795   0.429  -2.364
+ 6270TIP3   OH225118  -3.342  -0.208  -2.312
+ 6270TIP3    H125119  -3.381  -0.234  -2.226
+ 6270TIP3    H225120  -3.372  -0.282  -2.368
+ 6271TIP3   OH225121  -3.761   0.056  -1.264
+ 6271TIP3    H125122  -3.818   0.067  -1.186
+ 6271TIP3    H225123  -3.756   0.148  -1.298
+ 6272TIP3   OH225124  -3.770   0.063  -1.775
+ 6272TIP3    H125125  -3.866   0.054  -1.793
+ 6272TIP3    H225126  -3.734   0.044  -1.864
+ 6273TIP3   OH225127  -3.208   0.120  -1.895
+ 6273TIP3    H125128  -3.248   0.202  -1.931
+ 6273TIP3    H225129  -3.136   0.105  -1.959
+ 6274TIP3   OH225130  -3.287   0.140  -0.760
+ 6274TIP3    H125131  -3.338   0.064  -0.726
+ 6274TIP3    H225132  -3.199   0.124  -0.721
+ 6275TIP3   OH225133  -3.119   0.060  -1.617
+ 6275TIP3    H125134  -3.148   0.119  -1.690
+ 6275TIP3    H225135  -3.099  -0.021  -1.670
+ 6276TIP3   OH225136  -4.028   0.074  -1.078
+ 6276TIP3    H125137  -3.995   0.108  -0.994
+ 6276TIP3    H225138  -4.052  -0.016  -1.054
+ 6277TIP3   OH225139  -3.692  -0.155  -2.415
+ 6277TIP3    H125140  -3.724  -0.202  -2.335
+ 6277TIP3    H225141  -3.766  -0.166  -2.476
+ 6278TIP3   OH225142  -4.313  -0.163  -1.717
+ 6278TIP3    H125143  -4.307  -0.200  -1.627
+ 6278TIP3    H225144  -4.288  -0.237  -1.773
+ 6279TIP3   OH225145  -4.205  -0.122  -2.132
+ 6279TIP3    H125146  -4.146  -0.102  -2.206
+ 6279TIP3    H225147  -4.290  -0.086  -2.158
+ 6280TIP3   OH225148  -3.209   0.228  -1.171
+ 6280TIP3    H125149  -3.165   0.155  -1.221
+ 6280TIP3    H225150  -3.242   0.180  -1.094
+ 6281TIP3   OH225151  -3.490  -0.177  -1.671
+ 6281TIP3    H125152  -3.584  -0.184  -1.650
+ 6281TIP3    H225153  -3.449  -0.197  -1.585
+ 6282TIP3   OH225154  -4.038  -0.049  -1.813
+ 6282TIP3    H125155  -4.120  -0.048  -1.864
+ 6282TIP3    H225156  -4.001  -0.135  -1.841
+ 6283TIP3   OH225157  -3.671  -0.018  -2.033
+ 6283TIP3    H125158  -3.574  -0.017  -2.028
+ 6283TIP3    H225159  -3.691   0.042  -2.107
+ 6284TIP3   OH225160  -3.044  -0.269  -1.365
+ 6284TIP3    H125161  -3.106  -0.265  -1.290
+ 6284TIP3    H225162  -3.103  -0.302  -1.434
+ 6285TIP3   OH225163  -3.829   0.112  -2.262
+ 6285TIP3    H125164  -3.880   0.066  -2.331
+ 6285TIP3    H225165  -3.743   0.124  -2.306
+ 6286TIP3   OH225166  -2.738   1.308  -0.716
+ 6286TIP3    H125167  -2.709   1.343  -0.802
+ 6286TIP3    H225168  -2.674   1.346  -0.655
+ 6287TIP3   OH225169  -3.956   0.578  -0.764
+ 6287TIP3    H125170  -3.890   0.579  -0.691
+ 6287TIP3    H225171  -4.037   0.589  -0.710
+ 6288TIP3   OH225172  -3.389   0.076  -1.489
+ 6288TIP3    H125173  -3.316   0.033  -1.536
+ 6288TIP3    H225174  -3.405   0.015  -1.415
+ 6289TIP3   OH225175  -3.873  -0.290  -1.862
+ 6289TIP3    H125176  -3.924  -0.372  -1.870
+ 6289TIP3    H225177  -3.793  -0.312  -1.912
+ 6290TIP3   OH225178  -3.490  -0.078  -1.265
+ 6290TIP3    H125179  -3.568  -0.020  -1.264
+ 6290TIP3    H225180  -3.442  -0.052  -1.183
+ 6291TIP3   OH225181  -3.482   0.566  -2.077
+ 6291TIP3    H125182  -3.556   0.511  -2.110
+ 6291TIP3    H225183  -3.497   0.567  -1.979
+ 6292TIP3   OH225184  -2.780   0.497  -1.206
+ 6292TIP3    H125185  -2.722   0.551  -1.263
+ 6292TIP3    H225186  -2.856   0.480  -1.264
+ 6293TIP3   OH225187  -3.072  -0.147  -2.293
+ 6293TIP3    H125188  -3.169  -0.143  -2.302
+ 6293TIP3    H225189  -3.049  -0.070  -2.238
+ 6294TIP3   OH225190  -3.313   0.564  -0.944
+ 6294TIP3    H125191  -3.344   0.530  -0.859
+ 6294TIP3    H225192  -3.346   0.655  -0.942
+ 6295TIP3   OH225193  -2.990   0.030  -2.084
+ 6295TIP3    H125194  -2.900   0.011  -2.051
+ 6295TIP3    H225195  -2.977   0.112  -2.133
+ 6296TIP3   OH225196  -3.977   0.492  -1.505
+ 6296TIP3    H125197  -3.908   0.484  -1.574
+ 6296TIP3    H225198  -3.962   0.412  -1.452
+ 6297TIP3   OH225199  -3.239   0.700  -2.186
+ 6297TIP3    H125200  -3.263   0.783  -2.141
+ 6297TIP3    H225201  -3.310   0.641  -2.156
+ 6298TIP3   OH225202  -4.240   0.346  -0.939
+ 6298TIP3    H125203  -4.231   0.282  -0.867
+ 6298TIP3    H225204  -4.288   0.293  -1.007
+ 6299TIP3   OH225205  -3.540   0.279  -0.768
+ 6299TIP3    H125206  -3.575   0.253  -0.855
+ 6299TIP3    H225207  -3.447   0.251  -0.776
+ 6300TIP3   OH225208  -3.079   0.843  -0.999
+ 6300TIP3    H125209  -3.175   0.836  -1.006
+ 6300TIP3    H225210  -3.066   0.846  -0.903
+ 6301TIP3   OH225211  -2.708   0.891  -2.103
+ 6301TIP3    H125212  -2.747   0.814  -2.057
+ 6301TIP3    H225213  -2.663   0.849  -2.178
+ 6302TIP3   OH225214  -2.988   0.414  -1.385
+ 6302TIP3    H125215  -3.082   0.396  -1.403
+ 6302TIP3    H225216  -2.945   0.337  -1.426
+ 6303TIP3   OH225217  -3.727   0.829  -1.768
+ 6303TIP3    H125218  -3.685   0.916  -1.778
+ 6303TIP3    H225219  -3.819   0.848  -1.789
+ 6304TIP3   OH225220  -4.151   0.330  -2.302
+ 6304TIP3    H125221  -4.079   0.382  -2.261
+ 6304TIP3    H225222  -4.227   0.382  -2.275
+ 6305TIP3   OH225223  -3.542   0.600  -1.805
+ 6305TIP3    H125224  -3.576   0.690  -1.790
+ 6305TIP3    H225225  -3.611   0.546  -1.763
+ 6306TIP3   OH225226  -3.526   1.026  -1.169
+ 6306TIP3    H125227  -3.468   1.098  -1.197
+ 6306TIP3    H225228  -3.467   0.973  -1.114
+ 6307TIP3   OH225229  -3.681   1.120  -1.848
+ 6307TIP3    H125230  -3.777   1.132  -1.837
+ 6307TIP3    H225231  -3.647   1.207  -1.822
+ 6308TIP3   OH225232  -3.179   0.599  -1.211
+ 6308TIP3    H125233  -3.213   0.568  -1.125
+ 6308TIP3    H225234  -3.107   0.536  -1.228
+ 6309TIP3   OH225235  -2.968   0.737  -2.316
+ 6309TIP3    H125236  -2.924   0.682  -2.248
+ 6309TIP3    H225237  -3.060   0.716  -2.293
+ 6310TIP3   OH225238  -2.900   1.073  -0.931
+ 6310TIP3    H125239  -2.956   1.010  -0.979
+ 6310TIP3    H225240  -2.860   1.126  -1.001
+ 6311TIP3   OH225241  -2.493   1.156  -2.267
+ 6311TIP3    H125242  -2.425   1.222  -2.289
+ 6311TIP3    H225243  -2.571   1.213  -2.266
+ 6312TIP3   OH225244  -4.101  -0.198  -1.002
+ 6312TIP3    H125245  -4.187  -0.161  -1.027
+ 6312TIP3    H225246  -4.123  -0.284  -0.962
+ 6313TIP3   OH225247  -2.852   0.596  -2.076
+ 6313TIP3    H125248  -2.895   0.522  -2.032
+ 6313TIP3    H225249  -2.758   0.577  -2.055
+ 6314TIP3   OH225250  -4.128   0.972  -1.160
+ 6314TIP3    H125251  -4.109   0.877  -1.150
+ 6314TIP3    H225252  -4.096   1.004  -1.074
+ 6315TIP3   OH225253  -3.546   0.834  -2.465
+ 6315TIP3    H125254  -3.516   0.754  -2.512
+ 6315TIP3    H225255  -3.588   0.794  -2.386
+ 6316TIP3   OH225256  -3.664   0.786  -2.191
+ 6316TIP3    H125257  -3.612   0.730  -2.131
+ 6316TIP3    H225258  -3.647   0.876  -2.156
+ 6317TIP3   OH225259  -3.988   0.528  -2.159
+ 6317TIP3    H125260  -4.057   0.568  -2.102
+ 6317TIP3    H225261  -3.934   0.606  -2.177
+ 6318TIP3   OH225262  -3.203  -0.219  -1.146
+ 6318TIP3    H125263  -3.142  -0.198  -1.073
+ 6318TIP3    H225264  -3.257  -0.291  -1.108
+ 6319TIP3   OH225265  -3.145  -0.275  -2.032
+ 6319TIP3    H125266  -3.123  -0.223  -2.111
+ 6319TIP3    H225267  -3.099  -0.226  -1.962
+ 6320TIP3   OH225268  -3.364   0.953  -2.128
+ 6320TIP3    H125269  -3.448   0.999  -2.112
+ 6320TIP3    H225270  -3.331   0.996  -2.208
+ 6321TIP3   OH225271  -3.407  -0.079  -1.929
+ 6321TIP3    H125272  -3.330  -0.020  -1.916
+ 6321TIP3    H225273  -3.434  -0.096  -1.837
+ 6322TIP3   OH225274  -3.369   0.011  -1.014
+ 6322TIP3    H125275  -3.363   0.062  -0.932
+ 6322TIP3    H225276  -3.313  -0.066  -0.993
+ 6323TIP3   OH225277  -3.342  -0.377  -1.834
+ 6323TIP3    H125278  -3.365  -0.307  -1.770
+ 6323TIP3    H225279  -3.272  -0.334  -1.887
+ 6324TIP3   OH225280  -3.644   1.057  -2.129
+ 6324TIP3    H125281  -3.652   1.140  -2.181
+ 6324TIP3    H225282  -3.658   1.089  -2.038
+ 6325TIP3   OH225283  -3.771  -0.275  -2.177
+ 6325TIP3    H125284  -3.763  -0.198  -2.119
+ 6325TIP3    H225285  -3.693  -0.327  -2.152
+ 6326TIP3   OH225286  -2.705  -0.225  -0.917
+ 6326TIP3    H125287  -2.799  -0.202  -0.925
+ 6326TIP3    H225288  -2.676  -0.214  -1.008
+ 6327TIP3   OH225289  -2.877   0.183  -1.519
+ 6327TIP3    H125290  -2.957   0.140  -1.552
+ 6327TIP3    H225291  -2.828   0.109  -1.479
+ 6328TIP3   OH225292  -3.929   0.821  -2.281
+ 6328TIP3    H125293  -3.851   0.856  -2.234
+ 6328TIP3    H225294  -3.886   0.757  -2.339
+ 6329TIP3   OH225295  -4.110   0.038  -2.392
+ 6329TIP3    H125296  -4.103   0.116  -2.336
+ 6329TIP3    H225297  -4.200   0.006  -2.381
+ 6330TIP3   OH225298  -2.782   1.085  -1.401
+ 6330TIP3    H125299  -2.790   1.177  -1.434
+ 6330TIP3    H225300  -2.701   1.087  -1.349
+ 6331TIP3   OH225301  -4.026  -0.476  -1.484
+ 6331TIP3    H125302  -4.056  -0.478  -1.576
+ 6331TIP3    H225303  -4.069  -0.556  -1.447
+ 6332TIP3   OH225304  -4.135   0.894  -1.858
+ 6332TIP3    H125305  -4.227   0.923  -1.852
+ 6332TIP3    H225306  -4.106   0.931  -1.942
+ 6333TIP3   OH225307  -4.214   1.168  -0.739
+ 6333TIP3    H125308  -4.152   1.169  -0.664
+ 6333TIP3    H225309  -4.214   1.071  -0.753
+ 6334TIP3   OH225310  -3.715   1.089  -0.568
+ 6334TIP3    H125311  -3.661   1.014  -0.537
+ 6334TIP3    H225312  -3.747   1.054  -0.653
+ 6335TIP3   OH225313  -3.324   1.005  -2.414
+ 6335TIP3    H125314  -3.399   0.942  -2.422
+ 6335TIP3    H225315  -3.252   0.949  -2.447
+ 6336TIP3   OH225316  -3.094   0.913  -0.700
+ 6336TIP3    H125317  -3.123   0.826  -0.667
+ 6336TIP3    H225318  -3.008   0.925  -0.656
+ 6337TIP3   OH225319  -2.858   0.997  -2.402
+ 6337TIP3    H125320  -2.851   0.913  -2.353
+ 6337TIP3    H225321  -2.777   0.995  -2.457
+ 6338TIP3   OH225322  -4.201   0.577  -0.674
+ 6338TIP3    H125323  -4.185   0.484  -0.696
+ 6338TIP3    H225324  -4.290   0.592  -0.708
+ 6339TIP3   OH225325  -3.781   0.576  -2.430
+ 6339TIP3    H125326  -3.764   0.517  -2.355
+ 6339TIP3    H225327  -3.694   0.572  -2.476
+ 6340TIP3   OH225328  -3.528   0.556  -0.700
+ 6340TIP3    H125329  -3.570   0.587  -0.782
+ 6340TIP3    H225330  -3.530   0.459  -0.711
+ 6341TIP3   OH225331  -3.258   0.712  -2.468
+ 6341TIP3    H125332  -3.260   0.706  -2.370
+ 6341TIP3    H225333  -3.259   0.616  -2.490
+ 6342TIP3   OH225334  -3.002   0.519  -0.953
+ 6342TIP3    H125335  -2.928   0.578  -0.979
+ 6342TIP3    H225336  -3.076   0.582  -0.953
+ 6343TIP3   OH225337  -4.136   0.243  -0.695
+ 6343TIP3    H125338  -4.056   0.189  -0.709
+ 6343TIP3    H225339  -4.120   0.276  -0.605
+ 6344TIP3   OH225340  -3.674   0.389  -2.197
+ 6344TIP3    H125341  -3.733   0.336  -2.141
+ 6344TIP3    H225342  -3.641   0.321  -2.259
+ 6345TIP3   OH225343  -3.751   0.162  -0.972
+ 6345TIP3    H125344  -3.803   0.242  -0.950
+ 6345TIP3    H225345  -3.684   0.199  -1.033
+ 6346TIP3   OH225346  -3.570   0.192  -2.367
+ 6346TIP3    H125347  -3.575   0.191  -2.464
+ 6346TIP3    H225348  -3.474   0.182  -2.353
+ 6347TIP3   OH225349  -3.214   0.434  -0.615
+ 6347TIP3    H125350  -3.125   0.415  -0.644
+ 6347TIP3    H225351  -3.242   0.349  -0.579
+ 6348TIP3   OH225352  -2.618   0.442  -2.438
+ 6348TIP3    H125353  -2.636   0.385  -2.514
+ 6348TIP3    H225354  -2.638   0.531  -2.472
+ 6349TIP3   OH225355  -3.692  -0.109  -0.856
+ 6349TIP3    H125356  -3.683  -0.174  -0.928
+ 6349TIP3    H225357  -3.711  -0.027  -0.906
+ 6350TIP3   OH225358  -3.657  -0.261  -1.110
+ 6350TIP3    H125359  -3.605  -0.209  -1.175
+ 6350TIP3    H225360  -3.747  -0.258  -1.147
+ 6351TIP3   OH225361  -3.501   0.283  -1.072
+ 6351TIP3    H125362  -3.417   0.275  -1.119
+ 6351TIP3    H225363  -3.532   0.371  -1.102
+ 6352TIP3   OH225364  -3.039   0.079  -0.596
+ 6352TIP3    H125365  -3.020  -0.015  -0.581
+ 6352TIP3    H225366  -2.948   0.112  -0.610
+ 6353TIP3   OH225367  -2.915   0.362  -0.749
+ 6353TIP3    H125368  -2.954   0.422  -0.817
+ 6353TIP3    H225369  -2.830   0.341  -0.788
+ 6354TIP3   OH225370  -3.882   0.083  -0.683
+ 6354TIP3    H125371  -3.931  -0.001  -0.679
+ 6354TIP3    H225372  -3.797   0.054  -0.720
+ 6355TIP3   OH225373  -3.586  -0.529  -1.076
+ 6355TIP3    H125374  -3.602  -0.433  -1.093
+ 6355TIP3    H225375  -3.656  -0.570  -1.130
+ 6356TIP3   OH225376  -3.457  -0.072  -0.697
+ 6356TIP3    H125377  -3.492  -0.092  -0.609
+ 6356TIP3    H225378  -3.537  -0.091  -0.751
+ 6357TIP3   OH225379  -3.203  -0.168  -0.812
+ 6357TIP3    H125380  -3.290  -0.163  -0.770
+ 6357TIP3    H225381  -3.155  -0.228  -0.751
+ 6358TIP3   OH225382  -3.016  -0.313  -0.638
+ 6358TIP3    H125383  -3.028  -0.408  -0.622
+ 6358TIP3    H225384  -3.031  -0.273  -0.550
+ 6359TIP3   OH225385  -4.016  -0.174  -0.694
+ 6359TIP3    H125386  -4.015  -0.247  -0.758
+ 6359TIP3    H225387  -4.032  -0.220  -0.610
+ 6360TIP3   OH225388  -3.603  -0.579  -0.795
+ 6360TIP3    H125389  -3.541  -0.654  -0.790
+ 6360TIP3    H225390  -3.605  -0.563  -0.891
+ 6361TIP3   OH225391  -3.508  -0.395  -0.606
+ 6361TIP3    H125392  -3.539  -0.452  -0.679
+ 6361TIP3    H225393  -3.574  -0.325  -0.604
+ 6362TIP3   OH225394  -3.600   1.315  -2.259
+ 6362TIP3    H125395  -3.504   1.322  -2.248
+ 6362TIP3    H225396  -3.611   1.355  -2.346
+ 6363TIP3   OH225397  -4.197   0.804  -2.358
+ 6363TIP3    H125398  -4.125   0.798  -2.292
+ 6363TIP3    H225399  -4.220   0.711  -2.371
+ 6364TIP3   OH225400  -4.273   1.080  -1.639
+ 6364TIP3    H125401  -4.275   0.991  -1.600
+ 6364TIP3    H225402  -4.243   1.130  -1.562
+ 6365TIP3   OH225403  -2.450   1.197  -1.371
+ 6365TIP3    H125404  -2.496   1.194  -1.287
+ 6365TIP3    H225405  -2.406   1.283  -1.364
+ 6366TIP3   OH225406  -2.731   0.724  -0.603
+ 6366TIP3    H125407  -2.805   0.702  -0.543
+ 6366TIP3    H225408  -2.658   0.751  -0.547
+ 6367TIP3   OH225409  -2.581   0.539  -2.004
+ 6367TIP3    H125410  -2.491   0.573  -1.989
+ 6367TIP3    H225411  -2.587   0.464  -1.943
+ 6368TIP3   OH225412  -2.562   0.615  -1.341
+ 6368TIP3    H125413  -2.486   0.566  -1.377
+ 6368TIP3    H225414  -2.551   0.703  -1.378
+ 6369TIP3   OH225415  -2.750   0.909  -1.148
+ 6369TIP3    H125416  -2.812   0.913  -1.074
+ 6369TIP3    H225417  -2.794   0.848  -1.209
+ 6370TIP3   OH225418  -2.535   0.307  -2.179
+ 6370TIP3    H125419  -2.571   0.333  -2.265
+ 6370TIP3    H225420  -2.526   0.391  -2.133
+ 6371TIP3   OH225421  -2.609   0.039  -2.335
+ 6371TIP3    H125422  -2.647   0.114  -2.382
+ 6371TIP3    H225423  -2.670  -0.031  -2.363
+ 6372TIP3   OH225424  -2.741   0.218  -1.782
+ 6372TIP3    H125425  -2.714   0.126  -1.795
+ 6372TIP3    H225426  -2.754   0.223  -1.686
+ 6373TIP3   OH225427  -4.254   0.438  -1.365
+ 6373TIP3    H125428  -4.224   0.456  -1.455
+ 6373TIP3    H225429  -4.175   0.395  -1.327
+ 6374TIP3   OH225430  -2.747  -0.053  -1.943
+ 6374TIP3    H125431  -2.725  -0.149  -1.952
+ 6374TIP3    H225432  -2.675  -0.013  -1.992
+ 6375TIP3   OH225433  -2.697  -0.018  -1.402
+ 6375TIP3    H125434  -2.610   0.024  -1.411
+ 6375TIP3    H225435  -2.711  -0.011  -1.306
+ 6376TIP3   OH225436  -2.685   0.060  -1.098
+ 6376TIP3    H125437  -2.780   0.075  -1.086
+ 6376TIP3    H225438  -2.656   0.141  -1.145
+ 6377TIP3   OH225439  -4.285  -0.069  -0.760
+ 6377TIP3    H125440  -4.195  -0.107  -0.759
+ 6377TIP3    H225441  -4.342  -0.146  -0.742
+ 6378TIP3   OH225442  -2.701  -0.322  -1.973
+ 6378TIP3    H125443  -2.679  -0.366  -1.889
+ 6378TIP3    H225444  -2.776  -0.376  -2.003
+ 6379TIP3   OH225445  -4.196  -0.215  -1.437
+ 6379TIP3    H125446  -4.162  -0.305  -1.448
+ 6379TIP3    H225447  -4.114  -0.163  -1.427
+ 6380TIP3   OH225448  -4.331   0.048  -1.357
+ 6380TIP3    H125449  -4.296  -0.009  -1.427
+ 6380TIP3    H225450  -4.307   0.135  -1.389
+ 6381TIP3   OH225451  -2.534  -0.288  -2.293
+ 6381TIP3    H125452  -2.496  -0.366  -2.335
+ 6381TIP3    H225453  -2.457  -0.239  -2.263
+ 6382TIP3   OH225454  -4.323  -0.326  -1.985
+ 6382TIP3    H125455  -4.396  -0.309  -2.045
+ 6382TIP3    H225456  -4.247  -0.305  -2.042
+ 6383TIP3   OH225457  -2.829   1.213  -1.757
+ 6383TIP3    H125458  -2.781   1.178  -1.834
+ 6383TIP3    H225459  -2.756   1.237  -1.698
+ 6384TIP3   OH225460  -4.291  -0.443  -1.170
+ 6384TIP3    H125461  -4.360  -0.452  -1.100
+ 6384TIP3    H225462  -4.335  -0.397  -1.243
+ 6385TIP3   OH225463  -4.121   0.913  -0.706
+ 6385TIP3    H125464  -4.165   0.843  -0.757
+ 6385TIP3    H225465  -4.128   0.876  -0.615
+ 6386TIP3   OH225466  -3.802   0.973  -1.113
+ 6386TIP3    H125467  -3.833   1.058  -1.151
+ 6386TIP3    H225468  -3.706   0.982  -1.130
+ 6387TIP3   OH225469  -3.354   1.110  -0.812
+ 6387TIP3    H125470  -3.338   1.083  -0.721
+ 6387TIP3    H225471  -3.267   1.147  -0.838
+ 6388TIP3   OH225472  -3.118   1.248  -0.884
+ 6388TIP3    H125473  -3.047   1.184  -0.906
+ 6388TIP3    H225474  -3.085   1.282  -0.799
+ 6389TIP3   OH225475  -4.068   1.283  -1.089
+ 6389TIP3    H125476  -4.140   1.328  -1.137
+ 6389TIP3    H225477  -4.102   1.283  -0.999
+ 6390TIP3   OH225478  -3.817   1.248  -1.223
+ 6390TIP3    H125479  -3.905   1.264  -1.182
+ 6390TIP3    H225480  -3.816   1.314  -1.295
+ 6391TIP3   OH225481  -3.339   1.245  -1.269
+ 6391TIP3    H125482  -3.378   1.289  -1.346
+ 6391TIP3    H225483  -3.332   1.318  -1.205
+ 6392TIP3   OH225484  -3.100   1.118  -1.179
+ 6392TIP3    H125485  -3.187   1.150  -1.209
+ 6392TIP3    H225486  -3.052   1.201  -1.168
+ 6393TIP3   OH225487  -2.835   1.292  -1.146
+ 6393TIP3    H125488  -2.852   1.384  -1.173
+ 6393TIP3    H225489  -2.833   1.247  -1.231
+ 6394TIP3   OH225490  -4.123   1.156  -1.390
+ 6394TIP3    H125491  -4.134   1.109  -1.305
+ 6394TIP3    H225492  -4.050   1.106  -1.429
+ 6395TIP3   OH225493  -3.909   1.028  -1.541
+ 6395TIP3    H125494  -3.927   0.935  -1.514
+ 6395TIP3    H225495  -3.819   1.041  -1.506
+ 6396TIP3   OH225496  -3.629   1.070  -1.454
+ 6396TIP3    H125497  -3.612   0.977  -1.476
+ 6396TIP3    H225498  -3.623   1.066  -1.357
+ 6397TIP3   OH225499  -3.296  -0.341  -1.521
+ 6397TIP3    H125500  -3.365  -0.408  -1.507
+ 6397TIP3    H225501  -3.236  -0.385  -1.583
+ 6398TIP3   OH225502  -2.800  -0.541  -1.470
+ 6398TIP3    H125503  -2.734  -0.495  -1.523
+ 6398TIP3    H225504  -2.882  -0.517  -1.516
+ 6399TIP3   OH225505  -2.630  -0.440  -1.699
+ 6399TIP3    H125506  -2.552  -0.486  -1.733
+ 6399TIP3    H225507  -2.594  -0.356  -1.667
+ 6400TIP3   OH225508  -4.111  -0.485  -1.762
+ 6400TIP3    H125509  -4.168  -0.498  -1.840
+ 6400TIP3    H225510  -4.043  -0.551  -1.780
+ 6401TIP3   OH225511  -3.613  -0.483  -1.780
+ 6401TIP3    H125512  -3.520  -0.458  -1.791
+ 6401TIP3    H225513  -3.618  -0.498  -1.685
+ 6402TIP3   OH225514  -3.052  -0.484  -1.637
+ 6402TIP3    H125515  -3.030  -0.495  -1.730
+ 6402TIP3    H225516  -3.095  -0.569  -1.616
+ 6403TIP3   OH225517  -2.941  -0.481  -2.039
+ 6403TIP3    H125518  -3.023  -0.430  -2.056
+ 6403TIP3    H225519  -2.977  -0.571  -2.027
+ 6404TIP3   OH225520  -4.186   1.079  -2.086
+ 6404TIP3    H125521  -4.252   1.061  -2.154
+ 6404TIP3    H225522  -4.183   1.175  -2.085
+ 6405TIP3   OH225523  -4.002  -0.321  -2.347
+ 6405TIP3    H125524  -3.965  -0.406  -2.375
+ 6405TIP3    H225525  -3.965  -0.317  -2.257
+ 6406TIP3   OH225526  -3.496  -0.319  -2.075
+ 6406TIP3    H125527  -3.466  -0.378  -2.004
+ 6406TIP3    H225528  -3.476  -0.233  -2.034
+ 6407TIP3   OH225529  -3.294   1.260  -2.255
+ 6407TIP3    H125530  -3.197   1.258  -2.256
+ 6407TIP3    H225531  -3.314   1.191  -2.320
+ 6408TIP3   OH225532  -2.640   1.161  -1.992
+ 6408TIP3    H125533  -2.664   1.075  -2.033
+ 6408TIP3    H225534  -2.648   1.221  -2.067
+ 6409TIP3   OH225535  -4.079  -0.444  -0.817
+ 6409TIP3    H125536  -4.124  -0.520  -0.776
+ 6409TIP3    H225537  -3.988  -0.459  -0.788
+ 6410TIP3   OH225538  -3.846  -0.507  -0.643
+ 6410TIP3    H125539  -3.762  -0.539  -0.681
+ 6410TIP3    H225540  -3.876  -0.586  -0.597
+ 6411TIP3   OH225541  -4.011   1.179  -2.386
+ 6411TIP3    H125542  -4.043   1.194  -2.296
+ 6411TIP3    H225543  -3.943   1.111  -2.372
+ 6412TIP3   OH225544  -3.019  -0.594  -0.626
+ 6412TIP3    H125545  -3.016  -0.634  -0.537
+ 6412TIP3    H225546  -2.925  -0.597  -0.652
+ 6413TIP3   OH225547  -1.333   1.161  -1.562
+ 6413TIP3    H125548  -1.263   1.097  -1.586
+ 6413TIP3    H225549  -1.356   1.138  -1.470
+ 6414TIP3   OH225550  -1.114  -0.143  -1.792
+ 6414TIP3    H125551  -1.070  -0.172  -1.710
+ 6414TIP3    H225552  -1.056  -0.073  -1.824
+ 6415TIP3   OH225553  -2.319   0.653  -2.030
+ 6415TIP3    H125554  -2.338   0.701  -2.113
+ 6415TIP3    H225555  -2.299   0.725  -1.967
+ 6416TIP3   OH225556  -1.134   0.997  -1.675
+ 6416TIP3    H125557  -1.089   0.915  -1.706
+ 6416TIP3    H225558  -1.068   1.064  -1.703
+ 6417TIP3   OH225559  -1.011   0.775  -1.828
+ 6417TIP3    H125560  -1.051   0.707  -1.883
+ 6417TIP3    H225561  -0.975   0.724  -1.753
+ 6418TIP3   OH225562  -1.379   0.186  -2.311
+ 6418TIP3    H125563  -1.321   0.216  -2.239
+ 6418TIP3    H225564  -1.321   0.126  -2.361
+ 6419TIP3   OH225565  -1.170   0.305  -2.143
+ 6419TIP3    H125566  -1.109   0.302  -2.069
+ 6419TIP3    H225567  -1.120   0.356  -2.211
+ 6420TIP3   OH225568  -1.391   0.987  -1.826
+ 6420TIP3    H125569  -1.361   0.984  -1.735
+ 6420TIP3    H225570  -1.471   1.041  -1.824
+ 6421TIP3   OH225571  -0.820  -0.526  -2.209
+ 6421TIP3    H125572  -0.905  -0.513  -2.163
+ 6421TIP3    H225573  -0.782  -0.437  -2.205
+ 6422TIP3   OH225574  -0.681   0.890  -2.357
+ 6422TIP3    H125575  -0.662   0.983  -2.333
+ 6422TIP3    H225576  -0.594   0.848  -2.342
+ 6423TIP3   OH225577  -2.372   0.887  -1.411
+ 6423TIP3    H125578  -2.315   0.819  -1.374
+ 6423TIP3    H225579  -2.411   0.928  -1.333
+ 6424TIP3   OH225580  -1.487   1.240  -1.963
+ 6424TIP3    H125581  -1.457   1.248  -2.053
+ 6424TIP3    H225582  -1.461   1.324  -1.922
+ 6425TIP3   OH225583  -2.078   1.140  -1.773
+ 6425TIP3    H125584  -2.074   1.091  -1.690
+ 6425TIP3    H225585  -2.161   1.106  -1.810
+ 6426TIP3   OH225586  -1.143   1.169  -2.244
+ 6426TIP3    H125587  -1.077   1.108  -2.284
+ 6426TIP3    H225588  -1.137   1.143  -2.150
+ 6427TIP3   OH225589  -1.191   1.127  -1.963
+ 6427TIP3    H125590  -1.284   1.121  -1.934
+ 6427TIP3    H225591  -1.159   1.049  -1.914
+ 6428TIP3   OH225592  -1.017   0.401  -2.351
+ 6428TIP3    H125593  -1.033   0.381  -2.445
+ 6428TIP3    H225594  -0.921   0.417  -2.352
+ 6429TIP3   OH225595  -1.441  -0.214  -2.309
+ 6429TIP3    H125596  -1.493  -0.227  -2.228
+ 6429TIP3    H225597  -1.480  -0.281  -2.367
+ 6430TIP3   OH225598  -1.802  -0.181  -2.417
+ 6430TIP3    H125599  -1.840  -0.214  -2.333
+ 6430TIP3    H225600  -1.881  -0.156  -2.467
+ 6431TIP3   OH225601  -2.332  -0.140  -2.134
+ 6431TIP3    H125602  -2.269  -0.095  -2.192
+ 6431TIP3    H225603  -2.406  -0.079  -2.132
+ 6432TIP3   OH225604  -1.932   0.086  -2.231
+ 6432TIP3    H125605  -1.990   0.068  -2.306
+ 6432TIP3    H225606  -1.850   0.111  -2.276
+ 6433TIP3   OH225607  -1.175  -0.151  -2.274
+ 6433TIP3    H125608  -1.273  -0.159  -2.284
+ 6433TIP3    H225609  -1.164  -0.074  -2.217
+ 6434TIP3   OH225610  -1.086   0.041  -2.043
+ 6434TIP3    H125611  -0.994   0.013  -2.051
+ 6434TIP3    H225612  -1.098   0.106  -2.113
+ 6435TIP3   OH225613  -1.370   0.686  -2.183
+ 6435TIP3    H125614  -1.389   0.761  -2.124
+ 6435TIP3    H225615  -1.415   0.613  -2.138
+ 6436TIP3   OH225616  -0.839   0.886  -2.106
+ 6436TIP3    H125617  -0.864   0.810  -2.052
+ 6436TIP3    H225618  -0.775   0.849  -2.168
+ 6437TIP3   OH225619  -2.244   0.327  -2.316
+ 6437TIP3    H125620  -2.181   0.362  -2.252
+ 6437TIP3    H225621  -2.327   0.329  -2.265
+ 6438TIP3   OH225622  -1.791   1.098  -1.849
+ 6438TIP3    H125623  -1.884   1.106  -1.826
+ 6438TIP3    H225624  -1.754   1.182  -1.818
+ 6439TIP3   OH225625  -1.084   0.725  -2.301
+ 6439TIP3    H125626  -1.038   0.675  -2.231
+ 6439TIP3    H225627  -1.176   0.700  -2.282
+ 6440TIP3   OH225628  -0.606   1.152  -2.263
+ 6440TIP3    H125629  -0.533   1.213  -2.283
+ 6440TIP3    H225630  -0.680   1.214  -2.269
+ 6441TIP3   OH225631  -0.950   0.572  -2.060
+ 6441TIP3    H125632  -0.996   0.504  -2.009
+ 6441TIP3    H225633  -0.862   0.570  -2.020
+ 6442TIP3   OH225634  -1.662   0.835  -2.465
+ 6442TIP3    H125635  -1.634   0.756  -2.515
+ 6442TIP3    H225636  -1.691   0.792  -2.382
+ 6443TIP3   OH225637  -1.751   0.777  -2.194
+ 6443TIP3    H125638  -1.703   0.731  -2.125
+ 6443TIP3    H225639  -1.740   0.871  -2.167
+ 6444TIP3   OH225640  -2.053   0.539  -2.106
+ 6444TIP3    H125641  -2.145   0.545  -2.078
+ 6444TIP3    H225642  -2.052   0.587  -2.189
+ 6445TIP3   OH225643  -1.266  -0.283  -1.998
+ 6445TIP3    H125644  -1.245  -0.226  -2.073
+ 6445TIP3    H225645  -1.228  -0.233  -1.923
+ 6446TIP3   OH225646  -1.490   0.945  -2.137
+ 6446TIP3    H125647  -1.566   1.003  -2.118
+ 6446TIP3    H225648  -1.433   0.999  -2.191
+ 6447TIP3   OH225649  -1.759   1.054  -2.130
+ 6447TIP3    H125650  -1.772   1.137  -2.180
+ 6447TIP3    H225651  -1.774   1.082  -2.037
+ 6448TIP3   OH225652  -1.892  -0.259  -2.164
+ 6448TIP3    H125653  -1.888  -0.174  -2.118
+ 6448TIP3    H225654  -1.817  -0.306  -2.124
+ 6449TIP3   OH225655  -2.039   0.804  -2.271
+ 6449TIP3    H125656  -1.969   0.860  -2.236
+ 6449TIP3    H225657  -1.988   0.748  -2.331
+ 6450TIP3   OH225658  -2.233   0.029  -2.361
+ 6450TIP3    H125659  -2.227   0.121  -2.331
+ 6450TIP3    H225660  -2.324   0.024  -2.393
+ 6451TIP3   OH225661  -2.247   0.886  -1.855
+ 6451TIP3    H125662  -2.331   0.929  -1.841
+ 6451TIP3    H225663  -2.212   0.935  -1.930
+ 6452TIP3   OH225664  -1.443   1.036  -2.453
+ 6452TIP3    H125665  -1.513   0.967  -2.443
+ 6452TIP3    H225666  -1.369   0.977  -2.480
+ 6453TIP3   OH225667  -0.975   0.993  -2.401
+ 6453TIP3    H125668  -0.960   0.914  -2.347
+ 6453TIP3    H225669  -0.894   0.994  -2.456
+ 6454TIP3   OH225670  -1.896   0.576  -2.417
+ 6454TIP3    H125671  -1.875   0.509  -2.349
+ 6454TIP3    H225672  -1.813   0.573  -2.469
+ 6455TIP3   OH225673  -1.374   0.715  -2.457
+ 6455TIP3    H125674  -1.380   0.706  -2.360
+ 6455TIP3    H225675  -1.377   0.621  -2.483
+ 6456TIP3   OH225676  -1.788   0.400  -2.188
+ 6456TIP3    H125677  -1.830   0.344  -2.121
+ 6456TIP3    H225678  -1.744   0.332  -2.243
+ 6457TIP3   OH225679  -1.686   0.197  -2.364
+ 6457TIP3    H125680  -1.693   0.196  -2.461
+ 6457TIP3    H225681  -1.589   0.189  -2.351
+ 6458TIP3   OH225682  -0.747   0.428  -2.410
+ 6458TIP3    H125683  -0.727   0.376  -2.489
+ 6458TIP3    H225684  -0.728   0.518  -2.439
+ 6459TIP3   OH225685  -1.569   0.335  -1.099
+ 6459TIP3    H125686  -1.486   0.305  -1.137
+ 6459TIP3    H225687  -1.635   0.304  -1.162
+ 6460TIP3   OH225688  -1.674  -0.516  -0.840
+ 6460TIP3    H125689  -1.693  -0.451  -0.910
+ 6460TIP3    H225690  -1.625  -0.582  -0.890
+ 6461TIP3   OH225691  -1.648  -0.426  -0.581
+ 6461TIP3    H125692  -1.641  -0.460  -0.672
+ 6461TIP3    H225693  -1.660  -0.332  -0.590
+ 6462TIP3   OH225694  -1.714   1.325  -2.280
+ 6462TIP3    H125695  -1.619   1.332  -2.266
+ 6462TIP3    H225696  -1.732   1.382  -2.355
+ 6463TIP3   OH225697  -2.321   0.752  -2.310
+ 6463TIP3    H125698  -2.226   0.766  -2.294
+ 6463TIP3    H225699  -2.322   0.673  -2.368
+ 6464TIP3   OH225700  -2.412   1.272  -1.829
+ 6464TIP3    H125701  -2.485   1.233  -1.882
+ 6464TIP3    H225702  -2.401   1.205  -1.759
+ 6465TIP3   OH225703  -2.362   1.087  -1.619
+ 6465TIP3    H125704  -2.389   0.995  -1.598
+ 6465TIP3    H225705  -2.384   1.128  -1.533
+ 6466TIP3   OH225706  -0.636   1.191  -1.351
+ 6466TIP3    H125707  -0.652   1.189  -1.256
+ 6466TIP3    H225708  -0.571   1.261  -1.360
+ 6467TIP3   OH225709  -0.794   0.075  -2.343
+ 6467TIP3    H125710  -0.761   0.129  -2.416
+ 6467TIP3    H225711  -0.804  -0.013  -2.384
+ 6468TIP3   OH225712  -2.338   0.425  -1.410
+ 6468TIP3    H125713  -2.324   0.371  -1.489
+ 6468TIP3    H225714  -2.274   0.383  -1.349
+ 6469TIP3   OH225715  -0.854  -0.189  -2.445
+ 6469TIP3    H125716  -0.790  -0.234  -2.385
+ 6469TIP3    H225717  -0.933  -0.245  -2.440
+ 6470TIP3   OH225718  -0.818  -0.313  -1.928
+ 6470TIP3    H125719  -0.817  -0.345  -1.837
+ 6470TIP3    H225720  -0.900  -0.351  -1.962
+ 6471TIP3   OH225721  -0.635  -0.291  -2.301
+ 6471TIP3    H125722  -0.594  -0.376  -2.322
+ 6471TIP3    H225723  -0.562  -0.244  -2.257
+ 6472TIP3   OH225724  -0.945   1.214  -1.757
+ 6472TIP3    H125725  -0.895   1.180  -1.834
+ 6472TIP3    H225726  -0.873   1.235  -1.696
+ 6473TIP3   OH225727  -1.449   1.246  -1.273
+ 6473TIP3    H125728  -1.499   1.301  -1.335
+ 6473TIP3    H225729  -1.443   1.299  -1.193
+ 6474TIP3   OH225730  -2.309  -0.507  -2.176
+ 6474TIP3    H125731  -2.250  -0.445  -2.222
+ 6474TIP3    H225732  -2.349  -0.448  -2.110
+ 6475TIP3   OH225733  -1.053  -0.477  -2.049
+ 6475TIP3    H125734  -1.135  -0.425  -2.045
+ 6475TIP3    H225735  -1.085  -0.564  -2.020
+ 6476TIP3   OH225736  -2.273   1.075  -2.065
+ 6476TIP3    H125737  -2.339   1.062  -2.135
+ 6476TIP3    H225738  -2.280   1.171  -2.053
+ 6477TIP3   OH225739  -2.116  -0.331  -2.325
+ 6477TIP3    H125740  -2.056  -0.389  -2.375
+ 6477TIP3    H225741  -2.058  -0.303  -2.251
+ 6478TIP3   OH225742  -1.604  -0.290  -2.066
+ 6478TIP3    H125743  -1.595  -0.363  -2.003
+ 6478TIP3    H225744  -1.606  -0.214  -2.008
+ 6479TIP3   OH225745  -1.405   1.263  -2.304
+ 6479TIP3    H125746  -1.314   1.256  -2.266
+ 6479TIP3    H225747  -1.425   1.169  -2.319
+ 6480TIP3   OH225748  -0.757   1.163  -1.991
+ 6480TIP3    H125749  -0.778   1.077  -2.033
+ 6480TIP3    H225750  -0.756   1.222  -2.068
+ 6481TIP3   OH225751  -2.127   1.178  -2.383
+ 6481TIP3    H125752  -2.161   1.197  -2.295
+ 6481TIP3    H225753  -2.060   1.111  -2.366
+ 6482TIP3   OH225754  -0.458   0.671  -2.024
+ 6482TIP3    H125755  -0.477   0.693  -2.116
+ 6482TIP3    H225756  -0.447   0.757  -1.983
+ 6483TIP3   OH225757   0.748   1.008  -1.700
+ 6483TIP3    H125758   0.796   0.929  -1.729
+ 6483TIP3    H225759   0.799   1.081  -1.737
+ 6484TIP3   OH225760   0.881   0.777  -1.842
+ 6484TIP3    H125761   0.823   0.716  -1.890
+ 6484TIP3    H225762   0.886   0.738  -1.753
+ 6485TIP3   OH225763   0.447   0.324  -2.026
+ 6485TIP3    H125764   0.410   0.412  -2.005
+ 6485TIP3    H225765   0.541   0.339  -2.021
+ 6486TIP3   OH225766   0.769   0.421  -1.924
+ 6486TIP3    H125767   0.700   0.412  -1.856
+ 6486TIP3    H225768   0.822   0.343  -1.907
+ 6487TIP3   OH225769   0.703   0.267  -2.207
+ 6487TIP3    H125770   0.716   0.296  -2.117
+ 6487TIP3    H225771   0.750   0.336  -2.259
+ 6488TIP3   OH225772   0.486   0.976  -1.824
+ 6488TIP3    H125773   0.520   0.968  -1.735
+ 6488TIP3    H225774   0.419   1.045  -1.820
+ 6489TIP3   OH225775   1.204   0.890  -2.358
+ 6489TIP3    H125776   1.225   0.983  -2.334
+ 6489TIP3    H225777   1.288   0.846  -2.338
+ 6490TIP3   OH225778   0.402   1.239  -1.958
+ 6490TIP3    H125779   0.422   1.239  -2.053
+ 6490TIP3    H225780   0.427   1.329  -1.930
+ 6491TIP3   OH225781   0.746   1.194  -2.285
+ 6491TIP3    H125782   0.802   1.122  -2.320
+ 6491TIP3    H225783   0.750   1.175  -2.190
+ 6492TIP3   OH225784   0.689   1.131  -1.979
+ 6492TIP3    H125785   0.594   1.130  -1.956
+ 6492TIP3    H225786   0.715   1.054  -1.927
+ 6493TIP3   OH225787   0.877   0.425  -2.359
+ 6493TIP3    H125788   0.861   0.394  -2.450
+ 6493TIP3    H225789   0.974   0.428  -2.356
+ 6494TIP3   OH225790  -0.440  -0.119  -2.149
+ 6494TIP3    H125791  -0.378  -0.070  -2.206
+ 6494TIP3    H225792  -0.497  -0.048  -2.116
+ 6495TIP3   OH225793   0.273   0.545  -2.057
+ 6495TIP3    H125794   0.203   0.479  -2.062
+ 6495TIP3    H225795   0.284   0.558  -1.961
+ 6496TIP3   OH225796   0.714  -0.162  -2.287
+ 6496TIP3    H125797   0.621  -0.173  -2.262
+ 6496TIP3    H225798   0.740  -0.091  -2.226
+ 6497TIP3   OH225799   0.822   0.032  -2.055
+ 6497TIP3    H125800   0.911   0.016  -2.085
+ 6497TIP3    H225801   0.784   0.093  -2.119
+ 6498TIP3   OH225802   0.534   0.698  -2.181
+ 6498TIP3    H125803   0.514   0.774  -2.124
+ 6498TIP3    H225804   0.477   0.631  -2.139
+ 6499TIP3   OH225805   1.061   0.891  -2.095
+ 6499TIP3    H125806   1.014   0.812  -2.061
+ 6499TIP3    H225807   1.106   0.855  -2.173
+ 6500TIP3   OH225808  -0.375   0.328  -2.312
+ 6500TIP3    H125809  -0.310   0.365  -2.250
+ 6500TIP3    H225810  -0.455   0.332  -2.255
+ 6501TIP3   OH225811   0.035   1.101  -1.824
+ 6501TIP3    H125812  -0.031   1.158  -1.863
+ 6501TIP3    H225813   0.105   1.165  -1.800
+ 6502TIP3   OH225814   0.801   0.737  -2.312
+ 6502TIP3    H125815   0.848   0.681  -2.248
+ 6502TIP3    H225816   0.709   0.717  -2.286
+ 6503TIP3   OH225817   1.291   1.147  -2.268
+ 6503TIP3    H125818   1.359   1.214  -2.289
+ 6503TIP3    H225819   1.213   1.206  -2.265
+ 6504TIP3   OH225820   0.966   0.600  -2.080
+ 6504TIP3    H125821   0.898   0.542  -2.044
+ 6504TIP3    H225822   1.045   0.571  -2.032
+ 6505TIP3   OH225823   0.225   0.831  -2.465
+ 6505TIP3    H125824   0.253   0.750  -2.512
+ 6505TIP3    H225825   0.189   0.793  -2.383
+ 6506TIP3   OH225826   0.119   0.784  -2.188
+ 6506TIP3    H125827   0.168   0.726  -2.127
+ 6506TIP3    H225828   0.134   0.872  -2.150
+ 6507TIP3   OH225829  -0.196   0.521  -2.126
+ 6507TIP3    H125830  -0.281   0.542  -2.086
+ 6507TIP3    H225831  -0.172   0.599  -2.177
+ 6508TIP3   OH225832   0.406   0.958  -2.132
+ 6508TIP3    H125833   0.322   1.002  -2.116
+ 6508TIP3    H225834   0.441   1.001  -2.211
+ 6509TIP3   OH225835   0.116   1.057  -2.123
+ 6509TIP3    H125836   0.116   1.139  -2.176
+ 6509TIP3    H225837   0.118   1.090  -2.032
+ 6510TIP3   OH225838  -0.160   0.804  -2.272
+ 6510TIP3    H125839  -0.086   0.854  -2.232
+ 6510TIP3    H225840  -0.108   0.749  -2.333
+ 6511TIP3   OH225841  -0.343   0.037  -2.364
+ 6511TIP3    H125842  -0.337   0.131  -2.339
+ 6511TIP3    H225843  -0.433   0.029  -2.397
+ 6512TIP3   OH225844   0.446   1.007  -2.425
+ 6512TIP3    H125845   0.370   0.944  -2.425
+ 6512TIP3    H225846   0.517   0.946  -2.448
+ 6513TIP3   OH225847   0.915   0.994  -2.412
+ 6513TIP3    H125848   0.919   0.915  -2.355
+ 6513TIP3    H225849   1.001   0.991  -2.457
+ 6514TIP3   OH225850  -0.010   0.570  -2.424
+ 6514TIP3    H125851   0.003   0.496  -2.364
+ 6514TIP3    H225852   0.076   0.572  -2.470
+ 6515TIP3   OH225853   0.515   0.710  -2.464
+ 6515TIP3    H125854   0.509   0.703  -2.366
+ 6515TIP3    H225855   0.509   0.614  -2.486
+ 6516TIP3   OH225856   1.154   0.429  -2.410
+ 6516TIP3    H125857   1.157   0.378  -2.492
+ 6516TIP3    H225858   1.154   0.521  -2.441
+ 6517TIP3   OH225859   0.172   1.312  -2.258
+ 6517TIP3    H125860   0.268   1.322  -2.247
+ 6517TIP3    H225861   0.159   1.360  -2.341
+ 6518TIP3   OH225862  -0.438   0.750  -2.308
+ 6518TIP3    H125863  -0.342   0.767  -2.293
+ 6518TIP3    H225864  -0.435   0.671  -2.367
+ 6519TIP3   OH225865  -0.535   1.266  -1.820
+ 6519TIP3    H125866  -0.606   1.231  -1.877
+ 6519TIP3    H225867  -0.522   1.192  -1.757
+ 6520TIP3   OH225868  -0.467   1.062  -1.617
+ 6520TIP3    H125869  -0.521   0.981  -1.610
+ 6520TIP3    H225870  -0.477   1.095  -1.527
+ 6521TIP3   OH225871   1.063   0.082  -2.376
+ 6521TIP3    H125872   1.115   0.133  -2.438
+ 6521TIP3    H225873   1.069  -0.009  -2.411
+ 6522TIP3   OH225874   1.046  -0.207  -2.427
+ 6522TIP3    H125875   1.088  -0.267  -2.365
+ 6522TIP3    H225876   0.958  -0.245  -2.439
+ 6523TIP3   OH225877  -0.538  -0.348  -2.005
+ 6523TIP3    H125878  -0.622  -0.309  -1.974
+ 6523TIP3    H225879  -0.485  -0.271  -2.030
+ 6524TIP3   OH225880   0.938   1.229  -1.814
+ 6524TIP3    H125881   1.008   1.197  -1.874
+ 6524TIP3    H225882   0.974   1.211  -1.727
+ 6525TIP3   OH225883   0.928   1.313  -1.143
+ 6525TIP3    H125884   0.915   1.402  -1.179
+ 6525TIP3    H225885   0.901   1.252  -1.213
+ 6526TIP3   OH225886   0.872  -0.489  -2.033
+ 6526TIP3    H125887   0.799  -0.427  -2.047
+ 6526TIP3    H225888   0.831  -0.572  -2.063
+ 6527TIP3   OH225889  -0.387   1.061  -2.042
+ 6527TIP3    H125890  -0.446   1.042  -2.116
+ 6527TIP3    H225891  -0.396   1.157  -2.036
+ 6528TIP3   OH225892  -0.227  -0.329  -2.322
+ 6528TIP3    H125893  -0.171  -0.399  -2.356
+ 6528TIP3    H225894  -0.172  -0.285  -2.257
+ 6529TIP3   OH225895   0.473   1.259  -2.257
+ 6529TIP3    H125896   0.570   1.258  -2.264
+ 6529TIP3    H225897   0.451   1.189  -2.320
+ 6530TIP3   OH225898   1.145   1.157  -1.987
+ 6530TIP3    H125899   1.117   1.073  -2.030
+ 6530TIP3    H225900   1.131   1.221  -2.059
+ 6531TIP3   OH225901  -0.249   1.170  -2.382
+ 6531TIP3    H125902  -0.269   1.199  -2.292
+ 6531TIP3    H225903  -0.172   1.112  -2.369
+ 6532TIP3   OH225904   2.496   0.402  -1.742
+ 6532TIP3    H125905   2.495   0.498  -1.727
+ 6532TIP3    H225906   2.422   0.391  -1.804
+ 6533TIP3   OH225907   2.388   0.341  -1.426
+ 6533TIP3    H125908   2.375   0.287  -1.347
+ 6533TIP3    H225909   2.357   0.281  -1.496
+ 6534TIP3   OH225910   2.749   0.625  -1.601
+ 6534TIP3    H125911   2.714   0.552  -1.549
+ 6534TIP3    H225912   2.778   0.685  -1.530
+ 6535TIP3   OH225913   2.455   1.157  -1.551
+ 6535TIP3    H125914   2.515   1.084  -1.576
+ 6535TIP3    H225915   2.426   1.129  -1.463
+ 6536TIP3   OH225916   2.225   0.595  -1.392
+ 6536TIP3    H125917   2.273   0.517  -1.424
+ 6536TIP3    H225918   2.277   0.615  -1.313
+ 6537TIP3   OH225919   3.097  -0.243  -1.317
+ 6537TIP3    H125920   3.118  -0.187  -1.241
+ 6537TIP3    H225921   3.165  -0.218  -1.381
+ 6538TIP3   OH225922   2.556   0.033  -1.325
+ 6538TIP3    H125923   2.571  -0.064  -1.323
+ 6538TIP3    H225924   2.543   0.048  -1.420
+ 6539TIP3   OH225925   2.643  -0.149  -1.788
+ 6539TIP3    H125926   2.698  -0.191  -1.718
+ 6539TIP3    H225927   2.711  -0.103  -1.839
+ 6540TIP3   OH225928   3.164  -0.094  -1.041
+ 6540TIP3    H125929   3.097  -0.032  -1.074
+ 6540TIP3    H225930   3.119  -0.128  -0.962
+ 6541TIP3   OH225931   2.485   0.688  -1.863
+ 6541TIP3    H125932   2.459   0.667  -1.953
+ 6541TIP3    H225933   2.444   0.775  -1.847
+ 6542TIP3   OH225934   2.825  -0.221  -1.582
+ 6542TIP3    H125935   2.791  -0.290  -1.523
+ 6542TIP3    H225936   2.877  -0.166  -1.520
+ 6543TIP3   OH225937   1.839   0.707  -1.109
+ 6543TIP3    H125938   1.820   0.794  -1.146
+ 6543TIP3    H225939   1.757   0.681  -1.066
+ 6544TIP3   OH225940   1.455   0.676  -2.019
+ 6544TIP3    H125941   1.410   0.688  -2.103
+ 6544TIP3    H225942   1.446   0.762  -1.977
+ 6545TIP3   OH225943   2.808   0.807  -1.352
+ 6545TIP3    H125944   2.711   0.813  -1.346
+ 6545TIP3    H225945   2.830   0.895  -1.387
+ 6546TIP3   OH225946   2.835  -0.279  -1.192
+ 6546TIP3    H125947   2.756  -0.271  -1.249
+ 6546TIP3    H225948   2.906  -0.292  -1.257
+ 6547TIP3   OH225949   2.141  -0.528  -1.496
+ 6547TIP3    H125950   2.136  -0.625  -1.496
+ 6547TIP3    H225951   2.062  -0.505  -1.444
+ 6548TIP3   OH225952   2.636   0.997  -1.701
+ 6548TIP3    H125953   2.686   0.917  -1.726
+ 6548TIP3    H225954   2.705   1.065  -1.706
+ 6549TIP3   OH225955   2.782   0.783  -1.835
+ 6549TIP3    H125956   2.731   0.734  -1.901
+ 6549TIP3    H225957   2.777   0.721  -1.759
+ 6550TIP3   OH225958   2.971   0.663  -0.994
+ 6550TIP3    H125959   2.934   0.590  -1.047
+ 6550TIP3    H225960   2.933   0.740  -1.038
+ 6551TIP3   OH225961   2.362   0.365  -2.012
+ 6551TIP3    H125962   2.293   0.405  -2.068
+ 6551TIP3    H225963   2.436   0.358  -2.075
+ 6552TIP3   OH225964   2.390   0.181  -2.313
+ 6552TIP3    H125965   2.461   0.207  -2.251
+ 6552TIP3    H225966   2.438   0.116  -2.368
+ 6553TIP3   OH225967   2.713   0.357  -1.907
+ 6553TIP3    H125968   2.645   0.376  -1.839
+ 6553TIP3    H225969   2.774   0.300  -1.856
+ 6554TIP3   OH225970   2.011   0.780  -1.489
+ 6554TIP3    H125971   2.010   0.692  -1.526
+ 6554TIP3    H225972   2.060   0.758  -1.407
+ 6555TIP3   OH225973   2.525   0.865  -1.329
+ 6555TIP3    H125974   2.533   0.934  -1.261
+ 6555TIP3    H225975   2.503   0.785  -1.278
+ 6556TIP3   OH225976   2.605   0.305  -2.161
+ 6556TIP3    H125977   2.654   0.328  -2.080
+ 6556TIP3    H225978   2.657   0.355  -2.229
+ 6557TIP3   OH225979   2.350   0.962  -1.808
+ 6557TIP3    H125980   2.401   0.983  -1.728
+ 6557TIP3    H225981   2.308   1.047  -1.828
+ 6558TIP3   OH225982   2.951  -0.525  -2.214
+ 6558TIP3    H125983   2.863  -0.515  -2.173
+ 6558TIP3    H225984   2.986  -0.435  -2.206
+ 6559TIP3   OH225985   3.090   0.889  -2.360
+ 6559TIP3    H125986   3.106   0.982  -2.335
+ 6559TIP3    H225987   3.176   0.848  -2.341
+ 6560TIP3   OH225988   2.300   1.231  -1.960
+ 6560TIP3    H125989   2.311   1.246  -2.056
+ 6560TIP3    H225990   2.308   1.321  -1.923
+ 6561TIP3   OH225991   1.680   1.100  -1.803
+ 6561TIP3    H125992   1.687   1.079  -1.707
+ 6561TIP3    H225993   1.589   1.077  -1.824
+ 6562TIP3   OH225994   2.637   1.175  -2.240
+ 6562TIP3    H125995   2.696   1.110  -2.283
+ 6562TIP3    H225996   2.633   1.140  -2.149
+ 6563TIP3   OH225997   2.577   1.118  -1.960
+ 6563TIP3    H125998   2.483   1.130  -1.940
+ 6563TIP3    H225999   2.599   1.050  -1.894
+ 6564TIP3   OH226000   1.892  -0.443  -1.361
+ 6564TIP3    H126001   1.813  -0.463  -1.414
+ 6564TIP3    H226002   1.879  -0.350  -1.339
+ 6565TIP3   OH226003   2.763   0.412  -2.361
+ 6565TIP3    H126004   2.742   0.391  -2.454
+ 6565TIP3    H226005   2.858   0.433  -2.368
+ 6566TIP3   OH226006   2.327  -0.213  -2.312
+ 6566TIP3    H126007   2.278  -0.228  -2.229
+ 6566TIP3    H226008   2.286  -0.282  -2.368
+ 6567TIP3   OH226009   2.440   0.115  -1.898
+ 6567TIP3    H126010   2.402   0.197  -1.933
+ 6567TIP3    H226011   2.511   0.096  -1.961
+ 6568TIP3   OH226012   2.524   0.063  -1.613
+ 6568TIP3    H126013   2.497   0.118  -1.690
+ 6568TIP3    H226014   2.545  -0.020  -1.660
+ 6569TIP3   OH226015   1.971  -0.187  -2.419
+ 6569TIP3    H126016   1.935  -0.211  -2.332
+ 6569TIP3    H226017   1.893  -0.157  -2.466
+ 6570TIP3   OH226018   2.467   0.238  -1.143
+ 6570TIP3    H126019   2.516   0.168  -1.191
+ 6570TIP3    H226020   2.458   0.204  -1.054
+ 6571TIP3   OH226021   2.598  -0.259  -1.365
+ 6571TIP3    H126022   2.535  -0.270  -1.290
+ 6571TIP3    H226023   2.544  -0.294  -1.438
+ 6572TIP3   OH226024   1.850   0.091  -2.257
+ 6572TIP3    H126025   1.789   0.065  -2.327
+ 6572TIP3    H226026   1.934   0.106  -2.305
+ 6573TIP3   OH226027   2.897   1.297  -0.697
+ 6573TIP3    H126028   2.903   1.339  -0.783
+ 6573TIP3    H226029   2.963   1.342  -0.644
+ 6574TIP3   OH226030   2.246   0.071  -1.473
+ 6574TIP3    H126031   2.319   0.034  -1.523
+ 6574TIP3    H226032   2.249   0.022  -1.390
+ 6575TIP3   OH226033   2.162   0.570  -2.075
+ 6575TIP3    H126034   2.093   0.507  -2.106
+ 6575TIP3    H226035   2.156   0.557  -1.978
+ 6576TIP3   OH226036   2.913   0.444  -1.186
+ 6576TIP3    H126037   2.975   0.489  -1.246
+ 6576TIP3    H226038   2.830   0.447  -1.237
+ 6577TIP3   OH226039   2.595  -0.152  -2.299
+ 6577TIP3    H126040   2.497  -0.159  -2.299
+ 6577TIP3    H226041   2.614  -0.083  -2.233
+ 6578TIP3   OH226042   2.663   0.028  -2.093
+ 6578TIP3    H126043   2.749   0.010  -2.051
+ 6578TIP3    H226044   2.678   0.115  -2.134
+ 6579TIP3   OH226045   2.419   0.699  -2.185
+ 6579TIP3    H126046   2.391   0.783  -2.144
+ 6579TIP3    H226047   2.349   0.639  -2.155
+ 6580TIP3   OH226048   2.584   0.835  -1.028
+ 6580TIP3    H126049   2.489   0.833  -1.040
+ 6580TIP3    H226050   2.595   0.833  -0.933
+ 6581TIP3   OH226051   3.122   0.024  -2.119
+ 6581TIP3    H126052   3.066   0.006  -2.196
+ 6581TIP3    H226053   3.135   0.120  -2.131
+ 6582TIP3   OH226054   2.941   0.888  -2.110
+ 6582TIP3    H126055   2.918   0.812  -2.054
+ 6582TIP3    H226056   2.998   0.849  -2.178
+ 6583TIP3   OH226057   2.672   0.426  -1.367
+ 6583TIP3    H126058   2.578   0.408  -1.382
+ 6583TIP3    H226059   2.713   0.351  -1.415
+ 6584TIP3   OH226060   1.491   0.314  -2.296
+ 6584TIP3    H126061   1.561   0.365  -2.254
+ 6584TIP3    H226062   1.411   0.355  -2.262
+ 6585TIP3   OH226063   2.067   0.600  -1.805
+ 6585TIP3    H126064   2.089   0.680  -1.757
+ 6585TIP3    H226065   2.012   0.550  -1.744
+ 6586TIP3   OH226066   2.135   1.040  -1.186
+ 6586TIP3    H126067   2.201   1.109  -1.205
+ 6586TIP3    H226068   2.186   0.971  -1.141
+ 6587TIP3   OH226069   1.957   1.085  -1.848
+ 6587TIP3    H126070   1.869   1.120  -1.821
+ 6587TIP3    H226071   2.015   1.155  -1.811
+ 6588TIP3   OH226072   2.477   0.592  -1.186
+ 6588TIP3    H126073   2.453   0.565  -1.096
+ 6588TIP3    H226074   2.544   0.526  -1.208
+ 6589TIP3   OH226075   2.687   0.732  -2.319
+ 6589TIP3    H126076   2.731   0.684  -2.246
+ 6589TIP3    H226077   2.595   0.715  -2.294
+ 6590TIP3   OH226078   3.162   1.155  -2.267
+ 6590TIP3    H126079   3.232   1.220  -2.288
+ 6590TIP3    H226080   3.086   1.215  -2.266
+ 6591TIP3   OH226081   2.784   0.592  -2.081
+ 6591TIP3    H126082   2.757   0.519  -2.023
+ 6591TIP3    H226083   2.881   0.588  -2.072
+ 6592TIP3   OH226084   2.112   0.835  -2.462
+ 6592TIP3    H126085   2.143   0.761  -2.519
+ 6592TIP3    H226086   2.069   0.785  -2.392
+ 6593TIP3   OH226087   1.982   0.790  -2.134
+ 6593TIP3    H126088   2.055   0.725  -2.134
+ 6593TIP3    H226089   2.027   0.873  -2.158
+ 6594TIP3   OH226090   1.696   0.539  -2.102
+ 6594TIP3    H126091   1.603   0.558  -2.085
+ 6594TIP3    H226092   1.717   0.591  -2.180
+ 6595TIP3   OH226093   2.437  -0.244  -1.139
+ 6595TIP3    H126094   2.497  -0.217  -1.069
+ 6595TIP3    H226095   2.404  -0.329  -1.104
+ 6596TIP3   OH226096   2.510  -0.276  -2.020
+ 6596TIP3    H126097   2.530  -0.223  -2.099
+ 6596TIP3    H226098   2.556  -0.227  -1.950
+ 6597TIP3   OH226099   2.280   0.944  -2.133
+ 6597TIP3    H126100   2.211   1.008  -2.110
+ 6597TIP3    H226101   2.331   0.993  -2.199
+ 6598TIP3   OH226102   2.224  -0.088  -1.927
+ 6598TIP3    H126103   2.298  -0.026  -1.916
+ 6598TIP3    H226104   2.179  -0.084  -1.841
+ 6599TIP3   OH226105   2.305  -0.372  -1.833
+ 6599TIP3    H126106   2.304  -0.312  -1.757
+ 6599TIP3    H226107   2.376  -0.331  -1.887
+ 6600TIP3   OH226108   2.007   1.061  -2.122
+ 6600TIP3    H126109   2.003   1.138  -2.183
+ 6600TIP3    H226110   2.001   1.106  -2.035
+ 6601TIP3   OH226111   1.873  -0.254  -2.163
+ 6601TIP3    H126112   1.873  -0.172  -2.111
+ 6601TIP3    H226113   1.947  -0.302  -2.123
+ 6602TIP3   OH226114   2.900  -0.185  -0.917
+ 6602TIP3    H126115   2.809  -0.153  -0.918
+ 6602TIP3    H226116   2.908  -0.221  -1.008
+ 6603TIP3   OH226117   2.766   0.195  -1.526
+ 6603TIP3    H126118   2.681   0.153  -1.546
+ 6603TIP3    H226119   2.812   0.126  -1.475
+ 6604TIP3   OH226120   1.722   0.807  -2.276
+ 6604TIP3    H126121   1.797   0.856  -2.238
+ 6604TIP3    H226122   1.769   0.752  -2.340
+ 6605TIP3   OH226123   1.543   0.030  -2.375
+ 6605TIP3    H126124   1.549   0.100  -2.308
+ 6605TIP3    H226125   1.450   0.007  -2.373
+ 6606TIP3   OH226126   2.871   1.083  -1.384
+ 6606TIP3    H126127   2.852   1.166  -1.431
+ 6606TIP3    H226128   2.963   1.099  -1.357
+ 6607TIP3   OH226129   1.621  -0.518  -1.499
+ 6607TIP3    H126130   1.591  -0.513  -1.591
+ 6607TIP3    H226131   1.570  -0.592  -1.463
+ 6608TIP3   OH226132   2.335   1.006  -2.415
+ 6608TIP3    H126133   2.261   0.942  -2.424
+ 6608TIP3    H226134   2.408   0.952  -2.451
+ 6609TIP3   OH226135   2.797   0.997  -2.403
+ 6609TIP3    H126136   2.811   0.916  -2.350
+ 6609TIP3    H226137   2.878   0.998  -2.458
+ 6610TIP3   OH226138   1.878   0.579  -2.419
+ 6610TIP3    H126139   1.895   0.508  -2.355
+ 6610TIP3    H226140   1.958   0.571  -2.475
+ 6611TIP3   OH226141   2.397   0.711  -2.467
+ 6611TIP3    H126142   2.399   0.705  -2.370
+ 6611TIP3    H226143   2.396   0.615  -2.490
+ 6612TIP3   OH226144   1.981   0.378  -2.184
+ 6612TIP3    H126145   1.918   0.323  -2.135
+ 6612TIP3    H226146   2.011   0.312  -2.251
+ 6613TIP3   OH226147   2.087   0.199  -2.373
+ 6613TIP3    H126148   2.082   0.200  -2.470
+ 6613TIP3    H226149   2.182   0.187  -2.357
+ 6614TIP3   OH226150   3.032   0.440  -2.437
+ 6614TIP3    H126151   3.023   0.396  -2.523
+ 6614TIP3    H226152   3.021   0.534  -2.464
+ 6615TIP3   OH226153   2.059   1.306  -2.260
+ 6615TIP3    H126154   2.153   1.323  -2.248
+ 6615TIP3    H226155   2.042   1.357  -2.341
+ 6616TIP3   OH226156   1.444   0.748  -2.306
+ 6616TIP3    H126157   1.539   0.769  -2.288
+ 6616TIP3    H226158   1.450   0.671  -2.365
+ 6617TIP3   OH226159   1.349   1.259  -1.798
+ 6617TIP3    H126160   1.286   1.230  -1.867
+ 6617TIP3    H226161   1.341   1.191  -1.732
+ 6618TIP3   OH226162   3.145   1.190  -1.332
+ 6618TIP3    H126163   3.152   1.202  -1.236
+ 6618TIP3    H226164   3.224   1.233  -1.364
+ 6619TIP3   OH226165   3.139   1.132  -1.045
+ 6619TIP3    H126166   3.070   1.066  -1.069
+ 6619TIP3    H226167   3.179   1.094  -0.966
+ 6620TIP3   OH226168   3.071   0.578  -2.043
+ 6620TIP3    H126169   3.162   0.608  -2.026
+ 6620TIP3    H226170   3.061   0.513  -1.971
+ 6621TIP3   OH226171   3.117   0.373  -1.846
+ 6621TIP3    H126172   3.049   0.317  -1.803
+ 6621TIP3    H226173   3.184   0.384  -1.776
+ 6622TIP3   OH226174   3.095   0.632  -1.333
+ 6622TIP3    H126175   3.154   0.566  -1.375
+ 6622TIP3    H226176   3.115   0.713  -1.383
+ 6623TIP3   OH226177   2.940   0.921  -1.107
+ 6623TIP3    H126178   2.857   0.954  -1.071
+ 6623TIP3    H226179   2.908   0.881  -1.191
+ 6624TIP3   OH226180   3.144   0.318  -2.189
+ 6624TIP3    H126181   3.092   0.347  -2.266
+ 6624TIP3    H226182   3.130   0.391  -2.127
+ 6625TIP3   OH226183   2.967   0.075  -2.363
+ 6625TIP3    H126184   2.996   0.131  -2.436
+ 6625TIP3    H226185   2.945  -0.009  -2.408
+ 6626TIP3   OH226186   2.908   0.186  -1.766
+ 6626TIP3    H126187   2.903   0.090  -1.779
+ 6626TIP3    H226188   2.870   0.196  -1.676
+ 6627TIP3   OH226189   2.917  -0.191  -2.441
+ 6627TIP3    H126190   2.975  -0.242  -2.382
+ 6627TIP3    H226191   2.836  -0.245  -2.445
+ 6628TIP3   OH226192   2.897  -0.065  -1.948
+ 6628TIP3    H126193   2.920  -0.160  -1.940
+ 6628TIP3    H226194   2.979  -0.030  -1.987
+ 6629TIP3   OH226195   2.917   0.003  -1.395
+ 6629TIP3    H126196   3.014   0.011  -1.395
+ 6629TIP3    H226197   2.899   0.006  -1.300
+ 6630TIP3   OH226198   2.930   0.111  -1.117
+ 6630TIP3    H126199   2.845   0.125  -1.074
+ 6630TIP3    H226200   2.953   0.200  -1.146
+ 6631TIP3   OH226201   2.944  -0.345  -1.949
+ 6631TIP3    H126202   2.957  -0.378  -1.859
+ 6631TIP3    H226203   2.864  -0.394  -1.977
+ 6632TIP3   OH226204   3.141  -0.294  -2.285
+ 6632TIP3    H126205   3.173  -0.376  -2.326
+ 6632TIP3    H226206   3.223  -0.244  -2.272
+ 6633TIP3   OH226207   2.827   1.205  -1.755
+ 6633TIP3    H126208   2.877   1.178  -1.834
+ 6633TIP3    H226209   2.896   1.242  -1.699
+ 6634TIP3   OH226210   1.871   0.981  -1.046
+ 6634TIP3    H126211   1.925   0.903  -1.028
+ 6634TIP3    H226212   1.932   1.043  -1.088
+ 6635TIP3   OH226213   3.020  -0.487  -0.969
+ 6635TIP3    H126214   2.935  -0.467  -1.011
+ 6635TIP3    H226215   3.033  -0.578  -1.000
+ 6636TIP3   OH226216   1.615   1.328  -1.047
+ 6636TIP3    H126217   1.541   1.347  -1.108
+ 6636TIP3    H226218   1.580   1.262  -0.986
+ 6637TIP3   OH226219   1.877   1.247  -1.215
+ 6637TIP3    H126220   1.810   1.264  -1.147
+ 6637TIP3    H226221   1.866   1.323  -1.274
+ 6638TIP3   OH226222   2.317   1.258  -1.268
+ 6638TIP3    H126223   2.278   1.304  -1.344
+ 6638TIP3    H226224   2.331   1.331  -1.205
+ 6639TIP3   OH226225   2.547   1.113  -1.195
+ 6639TIP3    H126226   2.464   1.160  -1.211
+ 6639TIP3    H226227   2.602   1.181  -1.153
+ 6640TIP3   OH226228   2.823   1.283  -1.142
+ 6640TIP3    H126229   2.800   1.372  -1.171
+ 6640TIP3    H226230   2.823   1.233  -1.225
+ 6641TIP3   OH226231   1.773   1.028  -1.552
+ 6641TIP3    H126232   1.748   0.952  -1.498
+ 6641TIP3    H226233   1.854   1.057  -1.506
+ 6642TIP3   OH226234   2.037   1.071  -1.459
+ 6642TIP3    H126235   2.050   0.976  -1.478
+ 6642TIP3    H226236   2.047   1.071  -1.361
+ 6643TIP3   OH226237   2.359  -0.331  -1.533
+ 6643TIP3    H126238   2.286  -0.393  -1.512
+ 6643TIP3    H226239   2.420  -0.388  -1.583
+ 6644TIP3   OH226240   2.856  -0.526  -1.474
+ 6644TIP3    H126241   2.934  -0.494  -1.523
+ 6644TIP3    H226242   2.782  -0.512  -1.535
+ 6645TIP3   OH226243   3.060  -0.427  -1.694
+ 6645TIP3    H126244   3.134  -0.472  -1.739
+ 6645TIP3    H226245   3.095  -0.337  -1.680
+ 6646TIP3   OH226246   1.583  -0.480  -1.775
+ 6646TIP3    H126247   1.512  -0.505  -1.834
+ 6646TIP3    H226248   1.655  -0.538  -1.804
+ 6647TIP3   OH226249   1.459  -0.502  -2.162
+ 6647TIP3    H126250   1.520  -0.456  -2.223
+ 6647TIP3    H226251   1.423  -0.427  -2.113
+ 6648TIP3   OH226252   2.045  -0.498  -1.776
+ 6648TIP3    H126253   2.131  -0.456  -1.792
+ 6648TIP3    H226254   2.044  -0.500  -1.679
+ 6649TIP3   OH226255   2.597  -0.480  -1.640
+ 6649TIP3    H126256   2.628  -0.505  -1.728
+ 6649TIP3    H226257   2.562  -0.565  -1.607
+ 6650TIP3   OH226258   2.711  -0.485  -2.046
+ 6650TIP3    H126259   2.627  -0.435  -2.055
+ 6650TIP3    H226260   2.677  -0.573  -2.023
+ 6651TIP3   OH226261   1.482   1.057  -2.048
+ 6651TIP3    H126262   1.422   1.050  -2.125
+ 6651TIP3    H226263   1.493   1.152  -2.044
+ 6652TIP3   OH226264   1.652  -0.337  -2.324
+ 6652TIP3    H126265   1.717  -0.389  -2.374
+ 6652TIP3    H226266   1.709  -0.299  -2.254
+ 6653TIP3   OH226267   2.165  -0.314  -2.081
+ 6653TIP3    H126268   2.188  -0.374  -2.009
+ 6653TIP3    H226269   2.172  -0.228  -2.034
+ 6654TIP3   OH226270   2.362   1.257  -2.251
+ 6654TIP3    H126271   2.460   1.259  -2.256
+ 6654TIP3    H226272   2.342   1.193  -2.321
+ 6655TIP3   OH226273   3.012   1.160  -1.993
+ 6655TIP3    H126274   2.989   1.075  -2.036
+ 6655TIP3    H226275   3.009   1.220  -2.069
+ 6656TIP3   OH226276   1.638   1.170  -2.383
+ 6656TIP3    H126277   1.614   1.200  -2.294
+ 6656TIP3    H226278   1.715   1.114  -2.368
+ 6657TIP3   OH226279   4.207   0.326  -1.429
+ 6657TIP3    H126280   4.288   0.338  -1.375
+ 6657TIP3    H226281   4.244   0.305  -1.516
+ 6658TIP3   OH226282   3.515   0.311  -1.260
+ 6658TIP3    H126283   3.519   0.231  -1.204
+ 6658TIP3    H226284   3.595   0.357  -1.233
+ 6659TIP3   OH226285   3.583   0.773  -1.409
+ 6659TIP3    H126286   3.558   0.682  -1.437
+ 6659TIP3    H226287   3.679   0.759  -1.399
+ 6660TIP3   OH226288   3.281   0.115  -1.882
+ 6660TIP3    H126289   3.236   0.200  -1.870
+ 6660TIP3    H226290   3.209   0.060  -1.915
+ 6661TIP3   OH226291   3.357   0.358  -1.687
+ 6661TIP3    H126292   3.371   0.275  -1.638
+ 6661TIP3    H226293   3.439   0.365  -1.737
+ 6662TIP3   OH226294   4.117   0.600  -1.367
+ 6662TIP3    H126295   4.142   0.521  -1.419
+ 6662TIP3    H226296   4.200   0.618  -1.321
+ 6663TIP3   OH226297   3.744  -0.165  -1.618
+ 6663TIP3    H126298   3.758  -0.080  -1.664
+ 6663TIP3    H226299   3.709  -0.218  -1.692
+ 6664TIP3   OH226300   3.412   0.109  -1.567
+ 6664TIP3    H126301   3.472   0.058  -1.510
+ 6664TIP3    H226302   3.418   0.058  -1.650
+ 6665TIP3   OH226303   3.950   0.243  -1.619
+ 6665TIP3    H126304   4.026   0.191  -1.585
+ 6665TIP3    H226305   3.902   0.174  -1.668
+ 6666TIP3   OH226306   3.625  -0.284  -1.201
+ 6666TIP3    H126307   3.581  -0.238  -1.274
+ 6666TIP3    H226308   3.557  -0.276  -1.131
+ 6667TIP3   OH226309   3.908   0.508  -1.183
+ 6667TIP3    H126310   3.830   0.564  -1.178
+ 6667TIP3    H226311   3.975   0.565  -1.225
+ 6668TIP3   OH226312   3.583  -0.080  -1.411
+ 6668TIP3    H126313   3.649  -0.025  -1.364
+ 6668TIP3    H226314   3.641  -0.120  -1.480
+ 6669TIP3   OH226315   3.657   0.682  -1.100
+ 6669TIP3    H126316   3.682   0.770  -1.133
+ 6669TIP3    H226317   3.615   0.700  -1.015
+ 6670TIP3   OH226318   3.348   0.660  -2.030
+ 6670TIP3    H126319   3.326   0.710  -2.111
+ 6670TIP3    H226320   3.364   0.729  -1.963
+ 6671TIP3   OH226321   4.044  -0.540  -1.487
+ 6671TIP3    H126322   4.016  -0.634  -1.490
+ 6671TIP3    H226323   3.964  -0.497  -1.452
+ 6672TIP3   OH226324   4.269   0.346  -2.024
+ 6672TIP3    H126325   4.200   0.412  -2.037
+ 6672TIP3    H226326   4.328   0.364  -2.097
+ 6673TIP3   OH226327   4.291   0.194  -2.308
+ 6673TIP3    H126328   4.361   0.184  -2.242
+ 6673TIP3    H226329   4.293   0.111  -2.356
+ 6674TIP3   OH226330   3.759   0.433  -1.731
+ 6674TIP3    H126331   3.728   0.387  -1.811
+ 6674TIP3    H226332   3.822   0.368  -1.694
+ 6675TIP3   OH226333   3.895   0.768  -1.452
+ 6675TIP3    H126334   3.888   0.730  -1.541
+ 6675TIP3    H226335   3.977   0.725  -1.421
+ 6676TIP3   OH226336   3.816   0.321  -1.382
+ 6676TIP3    H126337   3.876   0.313  -1.458
+ 6676TIP3    H226338   3.866   0.380  -1.322
+ 6677TIP3   OH226339   3.905   0.755  -0.901
+ 6677TIP3    H126340   3.854   0.814  -0.844
+ 6677TIP3    H226341   3.840   0.724  -0.964
+ 6678TIP3   OH226342   3.579   0.375  -0.966
+ 6678TIP3    H126343   3.576   0.444  -0.899
+ 6678TIP3    H226344   3.490   0.377  -1.004
+ 6679TIP3   OH226345   4.251   0.958  -1.813
+ 6679TIP3    H126346   4.299   1.005  -1.743
+ 6679TIP3    H226347   4.199   1.029  -1.853
+ 6680TIP3   OH226348   3.694   0.950  -0.816
+ 6680TIP3    H126349   3.696   0.971  -0.911
+ 6680TIP3    H226350   3.600   0.948  -0.794
+ 6681TIP3   OH226351   3.650   0.309  -1.977
+ 6681TIP3    H126352   3.628   0.383  -2.035
+ 6681TIP3    H226353   3.585   0.242  -2.003
+ 6682TIP3   OH226354   3.261   0.867  -1.416
+ 6682TIP3    H126355   3.354   0.840  -1.410
+ 6682TIP3    H226356   3.251   0.937  -1.350
+ 6683TIP3   OH226357   4.172   0.855  -0.955
+ 6683TIP3    H126358   4.182   0.939  -0.907
+ 6683TIP3    H226359   4.085   0.822  -0.925
+ 6684TIP3   OH226360   4.180   1.235  -1.960
+ 6684TIP3    H126361   4.206   1.238  -2.053
+ 6684TIP3    H226362   4.208   1.320  -1.924
+ 6685TIP3   OH226363   3.572   1.149  -1.793
+ 6685TIP3    H126364   3.589   1.102  -1.709
+ 6685TIP3    H226365   3.491   1.105  -1.823
+ 6686TIP3   OH226366   3.797  -0.421  -1.405
+ 6686TIP3    H126367   3.714  -0.431  -1.455
+ 6686TIP3    H226368   3.772  -0.350  -1.344
+ 6687TIP3   OH226369   4.232  -0.487  -0.977
+ 6687TIP3    H126370   4.244  -0.561  -0.915
+ 6687TIP3    H226371   4.141  -0.504  -1.008
+ 6688TIP3   OH226372   4.228  -0.204  -2.315
+ 6688TIP3    H126373   4.179  -0.218  -2.232
+ 6688TIP3    H226374   4.196  -0.280  -2.365
+ 6689TIP3   OH226375   3.780   0.057  -1.263
+ 6689TIP3    H126376   3.719   0.064  -1.188
+ 6689TIP3    H226377   3.785   0.148  -1.297
+ 6690TIP3   OH226378   3.774   0.065  -1.775
+ 6690TIP3    H126379   3.678   0.053  -1.790
+ 6690TIP3    H226380   3.809   0.043  -1.863
+ 6691TIP3   OH226381   4.281   0.115  -1.827
+ 6691TIP3    H126382   4.267   0.209  -1.848
+ 6691TIP3    H226383   4.371   0.113  -1.794
+ 6692TIP3   OH226384   4.249   0.145  -0.744
+ 6692TIP3    H126385   4.195   0.065  -0.728
+ 6692TIP3    H226386   4.338   0.104  -0.743
+ 6693TIP3   OH226387   3.521   0.072  -1.080
+ 6693TIP3    H126388   3.543   0.098  -0.990
+ 6693TIP3    H226389   3.480  -0.016  -1.065
+ 6694TIP3   OH226390   3.863  -0.163  -2.422
+ 6694TIP3    H126391   3.825  -0.199  -2.339
+ 6694TIP3    H226392   3.785  -0.155  -2.478
+ 6695TIP3   OH226393   3.204  -0.174  -1.719
+ 6695TIP3    H126394   3.260  -0.182  -1.639
+ 6695TIP3    H226395   3.252  -0.224  -1.786
+ 6696TIP3   OH226396   3.358  -0.138  -2.145
+ 6696TIP3    H126397   3.414  -0.089  -2.209
+ 6696TIP3    H226398   3.290  -0.072  -2.125
+ 6697TIP3   OH226399   4.344   0.202  -1.138
+ 6697TIP3    H126400   4.377   0.136  -1.204
+ 6697TIP3    H226401   4.271   0.151  -1.099
+ 6698TIP3   OH226402   4.049  -0.192  -1.671
+ 6698TIP3    H126403   3.954  -0.190  -1.647
+ 6698TIP3    H226404   4.089  -0.182  -1.584
+ 6699TIP3   OH226405   3.511  -0.053  -1.806
+ 6699TIP3    H126406   3.427  -0.029  -1.849
+ 6699TIP3    H226407   3.538  -0.134  -1.852
+ 6700TIP3   OH226408   3.873  -0.023  -2.037
+ 6700TIP3    H126409   3.969  -0.011  -2.029
+ 6700TIP3    H226410   3.846   0.040  -2.106
+ 6701TIP3   OH226411   3.720   0.107  -2.259
+ 6701TIP3    H126412   3.660   0.075  -2.328
+ 6701TIP3    H226413   3.803   0.116  -2.309
+ 6702TIP3   OH226414   3.530   0.598  -0.759
+ 6702TIP3    H126415   3.617   0.598  -0.714
+ 6702TIP3    H226416   3.475   0.580  -0.682
+ 6703TIP3   OH226417   4.141   0.045  -1.527
+ 6703TIP3    H126418   4.215   0.004  -1.574
+ 6703TIP3    H226419   4.161   0.024  -1.435
+ 6704TIP3   OH226420   3.683  -0.282  -1.876
+ 6704TIP3    H126421   3.626  -0.358  -1.856
+ 6704TIP3    H226422   3.766  -0.324  -1.903
+ 6705TIP3   OH226423   4.051  -0.087  -1.261
+ 6705TIP3    H126424   3.979  -0.023  -1.274
+ 6705TIP3    H226425   4.101  -0.047  -1.188
+ 6706TIP3   OH226426   4.073   0.547  -2.071
+ 6706TIP3    H126427   3.995   0.500  -2.107
+ 6706TIP3    H226428   4.050   0.557  -1.976
+ 6707TIP3   OH226429   4.192   0.548  -0.950
+ 6707TIP3    H126430   4.194   0.532  -0.856
+ 6707TIP3    H226431   4.217   0.641  -0.959
+ 6708TIP3   OH226432   3.580   0.506  -1.489
+ 6708TIP3    H126433   3.633   0.489  -1.569
+ 6708TIP3    H226434   3.582   0.419  -1.446
+ 6709TIP3   OH226435   4.287   0.691  -2.177
+ 6709TIP3    H126436   4.259   0.779  -2.145
+ 6709TIP3    H226437   4.214   0.636  -2.143
+ 6710TIP3   OH226438   4.002   0.280  -0.764
+ 6710TIP3    H126439   3.966   0.247  -0.848
+ 6710TIP3    H226440   4.095   0.252  -0.772
+ 6711TIP3   OH226441   3.814   0.830  -1.764
+ 6711TIP3    H126442   3.858   0.915  -1.779
+ 6711TIP3    H226443   3.724   0.849  -1.792
+ 6712TIP3   OH226444   3.414   0.310  -2.308
+ 6712TIP3    H126445   3.473   0.376  -2.266
+ 6712TIP3    H226446   3.327   0.335  -2.270
+ 6713TIP3   OH226447   3.994   0.598  -1.808
+ 6713TIP3    H126448   3.966   0.689  -1.790
+ 6713TIP3    H226449   3.925   0.547  -1.763
+ 6714TIP3   OH226450   4.019   1.027  -1.165
+ 6714TIP3    H126451   4.077   1.099  -1.198
+ 6714TIP3    H226452   4.084   0.974  -1.115
+ 6715TIP3   OH226453   3.859   1.119  -1.847
+ 6715TIP3    H126454   3.764   1.136  -1.837
+ 6715TIP3    H226455   3.898   1.205  -1.822
+ 6716TIP3   OH226456   3.430  -0.203  -1.005
+ 6716TIP3    H126457   3.337  -0.176  -1.021
+ 6716TIP3    H226458   3.417  -0.291  -0.965
+ 6717TIP3   OH226459   3.410   0.906  -1.077
+ 6717TIP3    H126460   3.458   0.877  -1.156
+ 6717TIP3    H226461   3.435   1.000  -1.073
+ 6718TIP3   OH226462   3.994   0.837  -2.464
+ 6718TIP3    H126463   4.029   0.760  -2.511
+ 6718TIP3    H226464   3.957   0.794  -2.385
+ 6719TIP3   OH226465   3.885   0.781  -2.188
+ 6719TIP3    H126466   3.934   0.729  -2.122
+ 6719TIP3    H226467   3.899   0.873  -2.157
+ 6720TIP3   OH226468   3.565   0.530  -2.155
+ 6720TIP3    H126469   3.493   0.568  -2.099
+ 6720TIP3    H226470   3.614   0.611  -2.179
+ 6721TIP3   OH226471   4.335  -0.180  -1.093
+ 6721TIP3    H126472   4.387  -0.258  -1.071
+ 6721TIP3    H226473   4.275  -0.215  -1.161
+ 6722TIP3   OH226474   4.167   0.947  -2.137
+ 6722TIP3    H126475   4.089   0.999  -2.112
+ 6722TIP3    H226476   4.210   1.006  -2.200
+ 6723TIP3   OH226477   4.137  -0.087  -1.930
+ 6723TIP3    H126478   4.201  -0.019  -1.899
+ 6723TIP3    H226479   4.101  -0.112  -1.844
+ 6724TIP3   OH226480   4.168   0.013  -1.012
+ 6724TIP3    H126481   4.186   0.058  -0.928
+ 6724TIP3    H226482   4.234  -0.059  -1.013
+ 6725TIP3   OH226483   4.190  -0.385  -1.806
+ 6725TIP3    H126484   4.167  -0.302  -1.759
+ 6725TIP3    H226485   4.268  -0.357  -1.860
+ 6726TIP3   OH226486   3.893   1.055  -2.130
+ 6726TIP3    H126487   3.891   1.137  -2.182
+ 6726TIP3    H226488   3.881   1.088  -2.039
+ 6727TIP3   OH226489   3.770  -0.275  -2.188
+ 6727TIP3    H126490   3.769  -0.204  -2.121
+ 6727TIP3    H226491   3.848  -0.326  -2.159
+ 6728TIP3   OH226492   3.611   0.813  -2.276
+ 6728TIP3    H126493   3.685   0.860  -2.234
+ 6728TIP3    H226494   3.661   0.760  -2.341
+ 6729TIP3   OH226495   3.426   0.031  -2.365
+ 6729TIP3    H126496   3.435   0.125  -2.341
+ 6729TIP3    H226497   3.338   0.028  -2.403
+ 6730TIP3   OH226498   3.517  -0.466  -1.485
+ 6730TIP3    H126499   3.497  -0.471  -1.580
+ 6730TIP3    H226500   3.484  -0.552  -1.451
+ 6731TIP3   OH226501   3.406   0.883  -1.856
+ 6731TIP3    H126502   3.327   0.933  -1.834
+ 6731TIP3    H226503   3.443   0.934  -1.930
+ 6732TIP3   OH226504   3.349   1.131  -0.752
+ 6732TIP3    H126505   3.406   1.136  -0.673
+ 6732TIP3    H226506   3.279   1.073  -0.722
+ 6733TIP3   OH226507   3.817   1.084  -0.568
+ 6733TIP3    H126508   3.880   1.016  -0.539
+ 6733TIP3    H226509   3.791   1.048  -0.654
+ 6734TIP3   OH226510   4.232   1.003  -2.434
+ 6734TIP3    H126511   4.148   0.952  -2.430
+ 6734TIP3    H226512   4.294   0.928  -2.443
+ 6735TIP3   OH226513   3.763   0.579  -2.429
+ 6735TIP3    H126514   3.777   0.519  -2.354
+ 6735TIP3    H226515   3.849   0.573  -2.474
+ 6736TIP3   OH226516   4.003   0.558  -0.697
+ 6736TIP3    H126517   3.985   0.586  -0.788
+ 6736TIP3    H226518   4.018   0.462  -0.708
+ 6737TIP3   OH226519   4.262   0.711  -2.474
+ 6737TIP3    H126520   4.276   0.720  -2.378
+ 6737TIP3    H226521   4.242   0.616  -2.481
+ 6738TIP3   OH226522   3.870   0.385  -2.198
+ 6738TIP3    H126523   3.808   0.336  -2.142
+ 6738TIP3    H226524   3.901   0.315  -2.258
+ 6739TIP3   OH226525   3.796   0.168  -0.964
+ 6739TIP3    H126526   3.736   0.243  -0.952
+ 6739TIP3    H226527   3.854   0.198  -1.036
+ 6740TIP3   OH226528   3.980   0.187  -2.366
+ 6740TIP3    H126529   3.969   0.191  -2.463
+ 6740TIP3    H226530   4.075   0.199  -2.356
+ 6741TIP3   OH226531   4.282   0.413  -0.607
+ 6741TIP3    H126532   4.359   0.382  -0.655
+ 6741TIP3    H226533   4.266   0.337  -0.549
+ 6742TIP3   OH226534   3.860  -0.105  -0.852
+ 6742TIP3    H126535   3.859  -0.172  -0.923
+ 6742TIP3    H226536   3.837  -0.024  -0.902
+ 6743TIP3   OH226537   3.886  -0.261  -1.110
+ 6743TIP3    H126538   3.935  -0.205  -1.175
+ 6743TIP3    H226539   3.795  -0.259  -1.145
+ 6744TIP3   OH226540   4.057   0.281  -1.086
+ 6744TIP3    H126541   4.135   0.279  -1.144
+ 6744TIP3    H226542   4.031   0.374  -1.093
+ 6745TIP3   OH226543   3.663   0.079  -0.667
+ 6745TIP3    H126544   3.609  -0.001  -0.685
+ 6745TIP3    H226545   3.743   0.059  -0.718
+ 6746TIP3   OH226546   3.970  -0.524  -1.075
+ 6746TIP3    H126547   3.946  -0.430  -1.092
+ 6746TIP3    H226548   3.905  -0.570  -1.130
+ 6747TIP3   OH226549   4.102  -0.079  -0.701
+ 6747TIP3    H126550   4.062  -0.105  -0.616
+ 6747TIP3    H226551   4.027  -0.100  -0.761
+ 6748TIP3   OH226552   3.554  -0.178  -0.689
+ 6748TIP3    H126553   3.526  -0.230  -0.766
+ 6748TIP3    H226554   3.489  -0.207  -0.623
+ 6749TIP3   OH226555   3.945  -0.579  -0.792
+ 6749TIP3    H126556   4.008  -0.653  -0.792
+ 6749TIP3    H226557   3.938  -0.562  -0.888
+ 6750TIP3   OH226558   4.035  -0.397  -0.598
+ 6750TIP3    H126559   4.008  -0.453  -0.674
+ 6750TIP3    H226560   3.971  -0.325  -0.603
+ 6751TIP3   OH226561   3.956   1.308  -2.259
+ 6751TIP3    H126562   4.052   1.316  -2.251
+ 6751TIP3    H226563   3.941   1.357  -2.340
+ 6752TIP3   OH226564   3.334   0.753  -2.309
+ 6752TIP3    H126565   3.430   0.769  -2.293
+ 6752TIP3    H226566   3.336   0.672  -2.364
+ 6753TIP3   OH226567   3.235   1.269  -1.833
+ 6753TIP3    H126568   3.162   1.233  -1.887
+ 6753TIP3    H226569   3.244   1.201  -1.764
+ 6754TIP3   OH226570   3.273   1.074  -1.636
+ 6754TIP3    H126571   3.242   0.986  -1.606
+ 6754TIP3    H226572   3.305   1.108  -1.551
+ 6755TIP3   OH226573   3.270   0.398  -1.383
+ 6755TIP3    H126574   3.292   0.396  -1.477
+ 6755TIP3    H226575   3.355   0.373  -1.341
+ 6756TIP3   OH226576   3.347  -0.219  -1.473
+ 6756TIP3    H126577   3.387  -0.308  -1.464
+ 6756TIP3    H226578   3.420  -0.163  -1.440
+ 6757TIP3   OH226579   3.200   0.066  -1.354
+ 6757TIP3    H126580   3.256   0.042  -1.429
+ 6757TIP3    H226581   3.235   0.153  -1.331
+ 6758TIP3   OH226582   3.253  -0.325  -1.966
+ 6758TIP3    H126583   3.157  -0.319  -1.983
+ 6758TIP3    H226584   3.291  -0.262  -2.030
+ 6759TIP3   OH226585   3.255  -0.431  -1.147
+ 6759TIP3    H126586   3.187  -0.457  -1.082
+ 6759TIP3    H226587   3.200  -0.392  -1.217
+ 6760TIP3   OH226588   3.737   0.972  -1.109
+ 6760TIP3    H126589   3.716   1.060  -1.146
+ 6760TIP3    H226590   3.833   0.972  -1.125
+ 6761TIP3   OH226591   4.219   1.137  -0.823
+ 6761TIP3    H126592   4.205   1.099  -0.734
+ 6761TIP3    H226593   4.314   1.157  -0.818
+ 6762TIP3   OH226594   3.466   1.253  -1.084
+ 6762TIP3    H126595   3.417   1.326  -1.127
+ 6762TIP3    H226596   3.445   1.274  -0.992
+ 6763TIP3   OH226597   3.723   1.238  -1.227
+ 6763TIP3    H126598   3.646   1.273  -1.179
+ 6763TIP3    H226599   3.739   1.309  -1.293
+ 6764TIP3   OH226600   4.192   1.228  -1.266
+ 6764TIP3    H126601   4.181   1.273  -1.351
+ 6764TIP3    H226602   4.263   1.280  -1.225
+ 6765TIP3   OH226603   3.434   1.141  -1.389
+ 6765TIP3    H126604   3.454   1.120  -1.297
+ 6765TIP3    H226605   3.512   1.105  -1.436
+ 6766TIP3   OH226606   3.636   1.025  -1.539
+ 6766TIP3    H126607   3.625   0.930  -1.518
+ 6766TIP3    H226608   3.729   1.040  -1.512
+ 6767TIP3   OH226609   3.909   1.070  -1.454
+ 6767TIP3    H126610   3.935   0.979  -1.476
+ 6767TIP3    H226611   3.923   1.069  -1.358
+ 6768TIP3   OH226612   4.265  -0.371  -1.522
+ 6768TIP3    H126613   4.182  -0.421  -1.510
+ 6768TIP3    H226614   4.299  -0.411  -1.602
+ 6769TIP3   OH226615   3.482  -0.469  -1.770
+ 6769TIP3    H126616   3.395  -0.485  -1.812
+ 6769TIP3    H226617   3.523  -0.557  -1.781
+ 6770TIP3   OH226618   3.358  -0.521  -2.181
+ 6770TIP3    H126619   3.411  -0.455  -2.230
+ 6770TIP3    H226620   3.322  -0.467  -2.108
+ 6771TIP3   OH226621   3.929  -0.483  -1.778
+ 6771TIP3    H126622   4.023  -0.458  -1.791
+ 6771TIP3    H226623   3.928  -0.498  -1.683
+ 6772TIP3   OH226624   3.381   1.074  -2.064
+ 6772TIP3    H126625   3.316   1.062  -2.135
+ 6772TIP3    H226626   3.378   1.171  -2.054
+ 6773TIP3   OH226627   3.533  -0.338  -2.337
+ 6773TIP3    H126628   3.594  -0.395  -2.388
+ 6773TIP3    H226629   3.593  -0.305  -2.267
+ 6774TIP3   OH226630   4.064  -0.316  -2.082
+ 6774TIP3    H126631   4.071  -0.384  -2.013
+ 6774TIP3    H226632   4.060  -0.234  -2.030
+ 6775TIP3   OH226633   4.263   1.240  -2.255
+ 6775TIP3    H126634   4.351   1.277  -2.271
+ 6775TIP3    H226635   4.250   1.180  -2.331
+ 6776TIP3   OH226636   3.460  -0.445  -0.818
+ 6776TIP3    H126637   3.412  -0.522  -0.781
+ 6776TIP3    H226638   3.549  -0.458  -0.783
+ 6777TIP3   OH226639   3.705  -0.506  -0.636
+ 6777TIP3    H126640   3.784  -0.542  -0.680
+ 6777TIP3    H226641   3.661  -0.586  -0.604
+ 6778TIP3   OH226642   3.525   1.173  -2.384
+ 6778TIP3    H126643   3.500   1.196  -2.293
+ 6778TIP3    H226644   3.599   1.111  -2.370
+ 6779TIP3   OH226645  -3.158   2.293  -1.743
+ 6779TIP3    H126646  -3.163   2.389  -1.735
+ 6779TIP3    H226647  -3.237   2.274  -1.797
+ 6780TIP3   OH226648  -3.269   2.234  -1.434
+ 6780TIP3    H126649  -3.275   2.178  -1.355
+ 6780TIP3    H226650  -3.301   2.173  -1.503
+ 6781TIP3   OH226651  -4.025   2.192  -1.273
+ 6781TIP3    H126652  -4.034   2.120  -1.208
+ 6781TIP3    H226653  -3.961   2.250  -1.229
+ 6782TIP3   OH226654  -2.898   2.503  -1.599
+ 6782TIP3    H126655  -2.948   2.437  -1.550
+ 6782TIP3    H226656  -2.891   2.575  -1.535
+ 6783TIP3   OH226657  -3.959   2.656  -1.421
+ 6783TIP3    H126658  -3.988   2.566  -1.445
+ 6783TIP3    H226659  -3.866   2.639  -1.399
+ 6784TIP3   OH226660  -4.174   2.102  -1.944
+ 6784TIP3    H126661  -4.219   2.166  -1.886
+ 6784TIP3    H226662  -4.218   2.021  -1.913
+ 6785TIP3   OH226663  -4.212   2.241  -1.698
+ 6785TIP3    H126664  -4.188   2.169  -1.637
+ 6785TIP3    H226665  -4.127   2.273  -1.728
+ 6786TIP3   OH226666  -3.201   3.043  -1.548
+ 6786TIP3    H126667  -3.141   2.972  -1.576
+ 6786TIP3    H226668  -3.230   3.013  -1.461
+ 6787TIP3   OH226669  -3.425   2.485  -1.378
+ 6787TIP3    H126670  -3.394   2.414  -1.437
+ 6787TIP3    H226671  -3.344   2.500  -1.326
+ 6788TIP3   OH226672  -2.561   1.629  -1.313
+ 6788TIP3    H126673  -2.525   1.663  -1.230
+ 6788TIP3    H226674  -2.493   1.658  -1.376
+ 6789TIP3   OH226675  -3.094   1.920  -1.327
+ 6789TIP3    H126676  -3.083   1.823  -1.319
+ 6789TIP3    H226677  -3.107   1.930  -1.423
+ 6790TIP3   OH226678  -3.798   1.720  -1.620
+ 6790TIP3    H126679  -3.786   1.806  -1.666
+ 6790TIP3    H226680  -3.834   1.667  -1.694
+ 6791TIP3   OH226681  -3.014   1.737  -1.788
+ 6791TIP3    H126682  -2.957   1.693  -1.721
+ 6791TIP3    H226683  -2.948   1.781  -1.842
+ 6792TIP3   OH226684  -4.133   2.000  -1.565
+ 6792TIP3    H126685  -4.078   1.952  -1.502
+ 6792TIP3    H226686  -4.125   1.943  -1.643
+ 6793TIP3   OH226687  -3.591   2.131  -1.623
+ 6793TIP3    H126688  -3.522   2.075  -1.583
+ 6793TIP3    H226689  -3.643   2.065  -1.672
+ 6794TIP3   OH226690  -2.464   1.791  -1.068
+ 6794TIP3    H126691  -2.542   1.844  -1.088
+ 6794TIP3    H226692  -2.481   1.765  -0.976
+ 6795TIP3   OH226693  -3.917   1.603  -1.203
+ 6795TIP3    H126694  -3.964   1.645  -1.276
+ 6795TIP3    H226695  -3.980   1.616  -1.130
+ 6796TIP3   OH226696  -3.168   2.576  -1.862
+ 6796TIP3    H126697  -3.200   2.552  -1.949
+ 6796TIP3    H226698  -3.215   2.660  -1.845
+ 6797TIP3   OH226699  -3.625   2.386  -1.190
+ 6797TIP3    H126700  -3.699   2.445  -1.164
+ 6797TIP3    H226701  -3.564   2.449  -1.235
+ 6798TIP3   OH226702  -2.830   1.661  -1.585
+ 6798TIP3    H126703  -2.871   1.600  -1.522
+ 6798TIP3    H226704  -2.780   1.720  -1.525
+ 6799TIP3   OH226705  -3.957   1.808  -1.413
+ 6799TIP3    H126706  -3.893   1.864  -1.365
+ 6799TIP3    H226707  -3.899   1.769  -1.482
+ 6800TIP3   OH226708  -3.827   2.573  -1.117
+ 6800TIP3    H126709  -3.830   2.665  -1.149
+ 6800TIP3    H226710  -3.916   2.567  -1.077
+ 6801TIP3   OH226711  -4.184   2.535  -2.026
+ 6801TIP3    H126712  -4.263   2.556  -2.079
+ 6801TIP3    H226713  -4.189   2.600  -1.953
+ 6802TIP3   OH226714  -2.842   2.684  -1.356
+ 6802TIP3    H126715  -2.939   2.693  -1.347
+ 6802TIP3    H226716  -2.820   2.773  -1.389
+ 6803TIP3   OH226717  -2.815   1.582  -1.197
+ 6803TIP3    H126718  -2.890   1.620  -1.247
+ 6803TIP3    H226719  -2.741   1.595  -1.259
+ 6804TIP3   OH226720  -3.505   1.348  -1.494
+ 6804TIP3    H126721  -3.527   1.253  -1.499
+ 6804TIP3    H226722  -3.588   1.385  -1.456
+ 6805TIP3   OH226723  -3.016   2.880  -1.692
+ 6805TIP3    H126724  -2.968   2.805  -1.730
+ 6805TIP3    H226725  -2.953   2.953  -1.707
+ 6806TIP3   OH226726  -2.873   2.667  -1.833
+ 6806TIP3    H126727  -2.925   2.625  -1.904
+ 6806TIP3    H226728  -2.883   2.602  -1.761
+ 6807TIP3   OH226729  -2.719   2.551  -0.984
+ 6807TIP3    H126730  -2.734   2.489  -1.057
+ 6807TIP3    H226731  -2.715   2.638  -1.029
+ 6808TIP3   OH226732  -3.296   2.242  -2.015
+ 6808TIP3    H126733  -3.362   2.303  -2.052
+ 6808TIP3    H226734  -3.225   2.247  -2.081
+ 6809TIP3   OH226735  -3.267   2.061  -2.309
+ 6809TIP3    H126736  -3.197   2.093  -2.249
+ 6809TIP3    H226737  -3.215   2.003  -2.368
+ 6810TIP3   OH226738  -2.525   2.186  -1.209
+ 6810TIP3    H126739  -2.608   2.236  -1.202
+ 6810TIP3    H226740  -2.504   2.193  -1.303
+ 6811TIP3   OH226741  -2.943   2.243  -1.908
+ 6811TIP3    H126742  -3.013   2.265  -1.842
+ 6811TIP3    H226743  -2.887   2.183  -1.855
+ 6812TIP3   OH226744  -2.957   2.098  -1.025
+ 6812TIP3    H126745  -2.957   2.179  -0.972
+ 6812TIP3    H226746  -3.027   2.122  -1.089
+ 6813TIP3   OH226747  -3.781   2.321  -1.733
+ 6813TIP3    H126748  -3.816   2.276  -1.812
+ 6813TIP3    H226749  -3.719   2.255  -1.698
+ 6814TIP3   OH226750  -3.647   2.660  -1.457
+ 6814TIP3    H126751  -3.659   2.622  -1.544
+ 6814TIP3    H226752  -3.568   2.613  -1.425
+ 6815TIP3   OH226753  -3.726   2.201  -1.383
+ 6815TIP3    H126754  -3.668   2.206  -1.461
+ 6815TIP3    H226755  -3.687   2.268  -1.323
+ 6816TIP3   OH226756  -3.121   2.747  -1.322
+ 6816TIP3    H126757  -3.129   2.819  -1.257
+ 6816TIP3    H226758  -3.154   2.670  -1.275
+ 6817TIP3   OH226759  -3.642   2.632  -0.898
+ 6817TIP3    H126760  -3.694   2.698  -0.849
+ 6817TIP3    H226761  -3.706   2.605  -0.967
+ 6818TIP3   OH226762  -3.049   2.187  -2.162
+ 6818TIP3    H126763  -3.002   2.215  -2.081
+ 6818TIP3    H226764  -2.999   2.238  -2.231
+ 6819TIP3   OH226765  -3.956   2.266  -0.983
+ 6819TIP3    H126766  -3.948   2.327  -0.907
+ 6819TIP3    H226767  -4.053   2.262  -0.994
+ 6820TIP3   OH226768  -3.300   2.847  -1.806
+ 6820TIP3    H126769  -3.259   2.879  -1.724
+ 6820TIP3    H226770  -3.352   2.924  -1.835
+ 6821TIP3   OH226771  -3.835   2.846  -0.814
+ 6821TIP3    H126772  -3.844   2.853  -0.911
+ 6821TIP3    H226773  -3.927   2.830  -0.785
+ 6822TIP3   OH226774  -2.705   1.362  -2.214
+ 6822TIP3    H126775  -2.793   1.370  -2.172
+ 6822TIP3    H226776  -2.671   1.452  -2.206
+ 6823TIP3   OH226777  -3.891   2.191  -1.980
+ 6823TIP3    H126778  -3.918   2.268  -2.032
+ 6823TIP3    H226779  -3.971   2.135  -1.987
+ 6824TIP3   OH226780  -2.567   2.774  -2.356
+ 6824TIP3    H126781  -2.552   2.868  -2.336
+ 6824TIP3    H226782  -2.480   2.735  -2.337
+ 6825TIP3   OH226783  -4.264   2.474  -1.127
+ 6825TIP3    H126784  -4.300   2.447  -1.214
+ 6825TIP3    H226785  -4.306   2.407  -1.070
+ 6826TIP3   OH226786  -4.284   2.758  -1.429
+ 6826TIP3    H126787  -4.201   2.711  -1.410
+ 6826TIP3    H226788  -4.300   2.805  -1.346
+ 6827TIP3   OH226789  -2.443   2.814  -0.833
+ 6827TIP3    H126790  -2.455   2.719  -0.847
+ 6827TIP3    H226791  -2.534   2.841  -0.805
+ 6828TIP3   OH226792  -3.378   2.737  -0.954
+ 6828TIP3    H126793  -3.370   2.819  -0.902
+ 6828TIP3    H226794  -3.468   2.708  -0.932
+ 6829TIP3   OH226795  -3.348   3.119  -1.957
+ 6829TIP3    H126796  -3.349   3.129  -2.054
+ 6829TIP3    H226797  -3.344   3.211  -1.926
+ 6830TIP3   OH226798  -3.976   3.031  -1.794
+ 6830TIP3    H126799  -3.953   2.990  -1.708
+ 6830TIP3    H226800  -4.056   2.980  -1.814
+ 6831TIP3   OH226801  -3.019   3.061  -2.239
+ 6831TIP3    H126802  -2.961   2.996  -2.283
+ 6831TIP3    H226803  -3.024   3.023  -2.148
+ 6832TIP3   OH226804  -3.080   3.003  -1.958
+ 6832TIP3    H126805  -3.175   3.019  -1.945
+ 6832TIP3    H226806  -3.066   2.931  -1.894
+ 6833TIP3   OH226807  -2.771   1.954  -0.788
+ 6833TIP3    H126808  -2.815   1.987  -0.867
+ 6833TIP3    H226809  -2.755   1.860  -0.813
+ 6834TIP3   OH226810  -4.071   2.615  -0.979
+ 6834TIP3    H126811  -4.043   2.559  -0.904
+ 6834TIP3    H226812  -4.146   2.565  -1.017
+ 6835TIP3   OH226813  -3.748   1.465  -1.404
+ 6835TIP3    H126814  -3.830   1.453  -1.454
+ 6835TIP3    H226815  -3.775   1.535  -1.343
+ 6836TIP3   OH226816  -3.308   1.420  -1.036
+ 6836TIP3    H126817  -3.257   1.365  -0.973
+ 6836TIP3    H226818  -3.399   1.386  -1.025
+ 6837TIP3   OH226819  -2.990   1.796  -0.987
+ 6837TIP3    H126820  -3.050   1.779  -0.912
+ 6837TIP3    H226821  -2.998   1.892  -1.001
+ 6838TIP3   OH226822  -2.893   2.293  -2.362
+ 6838TIP3    H126823  -2.914   2.277  -2.455
+ 6838TIP3    H226824  -2.800   2.320  -2.368
+ 6839TIP3   OH226825  -3.330   1.672  -2.312
+ 6839TIP3    H126826  -3.379   1.658  -2.229
+ 6839TIP3    H226827  -3.370   1.604  -2.368
+ 6840TIP3   OH226828  -3.759   1.943  -1.261
+ 6840TIP3    H126829  -3.823   1.951  -1.188
+ 6840TIP3    H226830  -3.757   2.034  -1.298
+ 6841TIP3   OH226831  -3.769   1.949  -1.775
+ 6841TIP3    H126832  -3.865   1.944  -1.792
+ 6841TIP3    H226833  -3.735   1.931  -1.864
+ 6842TIP3   OH226834  -3.207   2.007  -1.895
+ 6842TIP3    H126835  -3.249   2.089  -1.930
+ 6842TIP3    H226836  -3.139   1.990  -1.963
+ 6843TIP3   OH226837  -3.282   2.023  -0.757
+ 6843TIP3    H126838  -3.338   1.949  -0.724
+ 6843TIP3    H226839  -3.197   2.003  -0.715
+ 6844TIP3   OH226840  -3.117   1.947  -1.619
+ 6844TIP3    H126841  -3.150   2.003  -1.692
+ 6844TIP3    H226842  -3.099   1.865  -1.669
+ 6845TIP3   OH226843  -4.017   1.956  -1.081
+ 6845TIP3    H126844  -4.001   1.996  -0.994
+ 6845TIP3    H226845  -4.054   1.869  -1.055
+ 6846TIP3   OH226846  -3.687   1.718  -2.420
+ 6846TIP3    H126847  -3.723   1.681  -2.337
+ 6846TIP3    H226848  -3.766   1.731  -2.473
+ 6847TIP3   OH226849  -4.312   1.711  -1.720
+ 6847TIP3    H126850  -4.314   1.697  -1.624
+ 6847TIP3    H226851  -4.273   1.629  -1.752
+ 6848TIP3   OH226852  -4.214   1.776  -2.125
+ 6848TIP3    H126853  -4.150   1.793  -2.197
+ 6848TIP3    H226854  -4.298   1.791  -2.171
+ 6849TIP3   OH226855  -3.206   2.113  -1.170
+ 6849TIP3    H126856  -3.166   2.040  -1.223
+ 6849TIP3    H226857  -3.247   2.065  -1.097
+ 6850TIP3   OH226858  -3.490   1.710  -1.670
+ 6850TIP3    H126859  -3.585   1.704  -1.648
+ 6850TIP3    H226860  -3.449   1.687  -1.585
+ 6851TIP3   OH226861  -4.037   1.835  -1.811
+ 6851TIP3    H126862  -4.127   1.833  -1.846
+ 6851TIP3    H226863  -4.001   1.751  -1.845
+ 6852TIP3   OH226864  -3.671   1.862  -2.037
+ 6852TIP3    H126865  -3.575   1.872  -2.030
+ 6852TIP3    H226866  -3.697   1.926  -2.106
+ 6853TIP3   OH226867  -3.051   1.622  -1.369
+ 6853TIP3    H126868  -3.114   1.622  -1.294
+ 6853TIP3    H226869  -3.108   1.587  -1.439
+ 6854TIP3   OH226870  -3.825   1.990  -2.260
+ 6854TIP3    H126871  -3.883   1.958  -2.330
+ 6854TIP3    H226872  -3.743   2.009  -2.309
+ 6855TIP3   OH226873  -2.750   3.199  -0.704
+ 6855TIP3    H126874  -2.729   3.246  -0.786
+ 6855TIP3    H226875  -2.682   3.232  -0.644
+ 6856TIP3   OH226876  -3.952   2.462  -0.761
+ 6856TIP3    H126877  -3.891   2.467  -0.684
+ 6856TIP3    H226878  -4.038   2.471  -0.714
+ 6857TIP3   OH226879  -3.387   1.965  -1.487
+ 6857TIP3    H126880  -3.318   1.916  -1.535
+ 6857TIP3    H226881  -3.407   1.903  -1.414
+ 6858TIP3   OH226882  -3.874   1.599  -1.866
+ 6858TIP3    H126883  -3.918   1.513  -1.859
+ 6858TIP3    H226884  -3.790   1.575  -1.909
+ 6859TIP3   OH226885  -3.489   1.812  -1.268
+ 6859TIP3    H126886  -3.570   1.865  -1.263
+ 6859TIP3    H226887  -3.444   1.832  -1.183
+ 6860TIP3   OH226888  -3.479   2.448  -2.075
+ 6860TIP3    H126889  -3.555   2.398  -2.110
+ 6860TIP3    H226890  -3.498   2.452  -1.979
+ 6861TIP3   OH226891  -2.736   2.371  -1.223
+ 6861TIP3    H126892  -2.723   2.438  -1.292
+ 6861TIP3    H226893  -2.829   2.347  -1.242
+ 6862TIP3   OH226894  -3.062   1.731  -2.299
+ 6862TIP3    H126895  -3.160   1.728  -2.301
+ 6862TIP3    H226896  -3.043   1.803  -2.235
+ 6863TIP3   OH226897  -3.309   2.450  -0.942
+ 6863TIP3    H126898  -3.343   2.416  -0.858
+ 6863TIP3    H226899  -3.343   2.541  -0.943
+ 6864TIP3   OH226900  -2.994   1.913  -2.092
+ 6864TIP3    H126901  -2.906   1.897  -2.053
+ 6864TIP3    H226902  -2.983   2.001  -2.134
+ 6865TIP3   OH226903  -3.974   2.381  -1.501
+ 6865TIP3    H126904  -3.909   2.370  -1.573
+ 6865TIP3    H226905  -3.964   2.298  -1.452
+ 6866TIP3   OH226906  -3.238   2.583  -2.182
+ 6866TIP3    H126907  -3.264   2.670  -2.144
+ 6866TIP3    H226908  -3.313   2.528  -2.155
+ 6867TIP3   OH226909  -4.238   2.230  -0.940
+ 6867TIP3    H126910  -4.234   2.166  -0.867
+ 6867TIP3    H226911  -4.284   2.178  -1.009
+ 6868TIP3   OH226912  -3.540   2.164  -0.766
+ 6868TIP3    H126913  -3.580   2.137  -0.850
+ 6868TIP3    H226914  -3.447   2.138  -0.780
+ 6869TIP3   OH226915  -3.086   2.706  -0.995
+ 6869TIP3    H126916  -3.183   2.715  -1.002
+ 6869TIP3    H226917  -3.071   2.733  -0.903
+ 6870TIP3   OH226918  -2.535   1.911  -2.117
+ 6870TIP3    H126919  -2.590   1.891  -2.195
+ 6870TIP3    H226920  -2.523   2.007  -2.132
+ 6871TIP3   OH226921  -2.491   2.513  -0.835
+ 6871TIP3    H126922  -2.585   2.537  -0.855
+ 6871TIP3    H226923  -2.455   2.505  -0.925
+ 6872TIP3   OH226924  -2.714   2.773  -2.108
+ 6872TIP3    H126925  -2.734   2.693  -2.057
+ 6872TIP3    H226926  -2.661   2.739  -2.182
+ 6873TIP3   OH226927  -2.984   2.305  -1.368
+ 6873TIP3    H126928  -3.079   2.292  -1.390
+ 6873TIP3    H226929  -2.945   2.230  -1.417
+ 6874TIP3   OH226930  -3.726   2.715  -1.767
+ 6874TIP3    H126931  -3.686   2.802  -1.778
+ 6874TIP3    H226932  -3.819   2.733  -1.788
+ 6875TIP3   OH226933  -4.155   2.211  -2.297
+ 6875TIP3    H126934  -4.081   2.262  -2.257
+ 6875TIP3    H226935  -4.228   2.270  -2.279
+ 6876TIP3   OH226936  -3.542   2.484  -1.804
+ 6876TIP3    H126937  -3.574   2.575  -1.790
+ 6876TIP3    H226938  -3.614   2.433  -1.763
+ 6877TIP3   OH226939  -3.526   2.910  -1.170
+ 6877TIP3    H126940  -3.471   2.985  -1.198
+ 6877TIP3    H226941  -3.465   2.862  -1.111
+ 6878TIP3   OH226942  -3.681   3.005  -1.845
+ 6878TIP3    H126943  -3.777   3.018  -1.837
+ 6878TIP3    H226944  -3.647   3.093  -1.821
+ 6879TIP3   OH226945  -3.185   2.484  -1.212
+ 6879TIP3    H126946  -3.217   2.460  -1.124
+ 6879TIP3    H226947  -3.113   2.421  -1.226
+ 6880TIP3   OH226948  -2.968   2.615  -2.321
+ 6880TIP3    H126949  -2.927   2.569  -2.245
+ 6880TIP3    H226950  -3.062   2.602  -2.297
+ 6881TIP3   OH226951  -2.889   2.941  -0.976
+ 6881TIP3    H126952  -2.967   2.898  -1.015
+ 6881TIP3    H226953  -2.882   3.023  -1.028
+ 6882TIP3   OH226954  -2.496   3.041  -2.267
+ 6882TIP3    H126955  -2.425   3.105  -2.288
+ 6882TIP3    H226956  -2.572   3.102  -2.267
+ 6883TIP3   OH226957  -4.103   1.690  -0.996
+ 6883TIP3    H126958  -4.185   1.715  -1.043
+ 6883TIP3    H226959  -4.122   1.601  -0.962
+ 6884TIP3   OH226960  -2.872   2.478  -2.081
+ 6884TIP3    H126961  -2.900   2.405  -2.023
+ 6884TIP3    H226962  -2.775   2.474  -2.073
+ 6885TIP3   OH226963  -4.127   2.857  -1.161
+ 6885TIP3    H126964  -4.109   2.762  -1.149
+ 6885TIP3    H226965  -4.097   2.892  -1.076
+ 6886TIP3   OH226966  -3.544   2.720  -2.463
+ 6886TIP3    H126967  -3.516   2.641  -2.512
+ 6886TIP3    H226968  -3.587   2.680  -2.385
+ 6887TIP3   OH226969  -3.662   2.672  -2.192
+ 6887TIP3    H126970  -3.611   2.619  -2.128
+ 6887TIP3    H226971  -3.647   2.763  -2.159
+ 6888TIP3   OH226972  -3.987   2.414  -2.159
+ 6888TIP3    H126973  -4.057   2.453  -2.101
+ 6888TIP3    H226974  -3.938   2.494  -2.181
+ 6889TIP3   OH226975  -3.209   1.666  -1.146
+ 6889TIP3    H126976  -3.143   1.685  -1.078
+ 6889TIP3    H226977  -3.258   1.590  -1.108
+ 6890TIP3   OH226978  -3.146   1.607  -2.024
+ 6890TIP3    H126979  -3.128   1.660  -2.103
+ 6890TIP3    H226980  -3.101   1.657  -1.954
+ 6891TIP3   OH226981  -3.365   2.834  -2.128
+ 6891TIP3    H126982  -3.447   2.883  -2.111
+ 6891TIP3    H226983  -3.330   2.881  -2.205
+ 6892TIP3   OH226984  -3.405   1.806  -1.929
+ 6892TIP3    H126985  -3.329   1.867  -1.915
+ 6892TIP3    H226986  -3.434   1.790  -1.837
+ 6893TIP3   OH226987  -3.369   1.896  -1.012
+ 6893TIP3    H126988  -3.360   1.948  -0.931
+ 6893TIP3    H226989  -3.313   1.820  -0.996
+ 6894TIP3   OH226990  -3.346   1.508  -1.835
+ 6894TIP3    H126991  -3.365   1.577  -1.769
+ 6894TIP3    H226992  -3.273   1.550  -1.886
+ 6895TIP3   OH226993  -3.644   2.942  -2.129
+ 6895TIP3    H126994  -3.652   3.023  -2.183
+ 6895TIP3    H226995  -3.658   2.977  -2.039
+ 6896TIP3   OH226996  -3.774   1.610  -2.178
+ 6896TIP3    H126997  -3.766   1.689  -2.122
+ 6896TIP3    H226998  -3.693   1.561  -2.153
+ 6897TIP3   OH226999  -2.725   1.710  -0.914
+ 6897TIP3    H127000  -2.820   1.703  -0.932
+ 6897TIP3    H227001  -2.691   1.660  -0.990
+ 6898TIP3   OH227002  -2.884   2.078  -1.519
+ 6898TIP3    H127003  -2.968   2.037  -1.546
+ 6898TIP3    H227004  -2.839   2.003  -1.474
+ 6899TIP3   OH227005  -3.931   2.699  -2.276
+ 6899TIP3    H127006  -3.855   2.742  -2.234
+ 6899TIP3    H227007  -3.885   2.643  -2.340
+ 6900TIP3   OH227008  -4.114   1.911  -2.359
+ 6900TIP3    H127009  -4.106   2.006  -2.339
+ 6900TIP3    H227010  -4.194   1.905  -2.411
+ 6901TIP3   OH227011  -2.783   2.962  -1.385
+ 6901TIP3    H127012  -2.808   3.042  -1.436
+ 6901TIP3    H227013  -2.693   2.987  -1.358
+ 6902TIP3   OH227014  -4.023   1.409  -1.489
+ 6902TIP3    H127015  -4.059   1.407  -1.579
+ 6902TIP3    H227016  -4.067   1.330  -1.449
+ 6903TIP3   OH227017  -4.136   2.774  -1.860
+ 6903TIP3    H127018  -4.226   2.810  -1.853
+ 6903TIP3    H227019  -4.104   2.817  -1.941
+ 6904TIP3   OH227020  -4.213   3.053  -0.738
+ 6904TIP3    H127021  -4.151   3.052  -0.664
+ 6904TIP3    H227022  -4.217   2.957  -0.752
+ 6905TIP3   OH227023  -3.724   2.965  -0.565
+ 6905TIP3    H127024  -3.657   2.899  -0.545
+ 6905TIP3    H227025  -3.750   2.939  -0.654
+ 6906TIP3   OH227026  -3.322   2.890  -2.412
+ 6906TIP3    H127027  -3.398   2.829  -2.423
+ 6906TIP3    H227028  -3.252   2.836  -2.451
+ 6907TIP3   OH227029  -3.077   2.790  -0.709
+ 6907TIP3    H127030  -3.119   2.711  -0.669
+ 6907TIP3    H227031  -3.011   2.814  -0.642
+ 6908TIP3   OH227032  -2.860   2.881  -2.402
+ 6908TIP3    H127033  -2.844   2.800  -2.352
+ 6908TIP3    H227034  -2.782   2.887  -2.459
+ 6909TIP3   OH227035  -4.199   2.454  -0.677
+ 6909TIP3    H127036  -4.190   2.366  -0.715
+ 6909TIP3    H227037  -4.287   2.481  -0.707
+ 6910TIP3   OH227038  -3.781   2.463  -2.429
+ 6910TIP3    H127039  -3.762   2.405  -2.353
+ 6910TIP3    H227040  -3.695   2.461  -2.476
+ 6911TIP3   OH227041  -3.537   2.441  -0.698
+ 6911TIP3    H127042  -3.570   2.474  -0.783
+ 6911TIP3    H227043  -3.532   2.344  -0.713
+ 6912TIP3   OH227044  -3.256   2.596  -2.468
+ 6912TIP3    H127045  -3.261   2.592  -2.371
+ 6912TIP3    H227046  -3.261   2.501  -2.489
+ 6913TIP3   OH227047  -2.999   2.401  -0.960
+ 6913TIP3    H127048  -2.925   2.463  -0.970
+ 6913TIP3    H227049  -3.074   2.462  -0.959
+ 6914TIP3   OH227050  -4.134   2.129  -0.698
+ 6914TIP3    H127051  -4.056   2.072  -0.710
+ 6914TIP3    H227052  -4.124   2.157  -0.605
+ 6915TIP3   OH227053  -3.674   2.273  -2.195
+ 6915TIP3    H127054  -3.735   2.223  -2.139
+ 6915TIP3    H227055  -3.644   2.204  -2.258
+ 6916TIP3   OH227056  -3.747   2.051  -0.964
+ 6916TIP3    H127057  -3.807   2.127  -0.953
+ 6916TIP3    H227058  -3.687   2.083  -1.034
+ 6917TIP3   OH227059  -3.576   2.074  -2.370
+ 6917TIP3    H127060  -3.579   2.083  -2.467
+ 6917TIP3    H227061  -3.480   2.070  -2.354
+ 6918TIP3   OH227062  -3.219   2.320  -0.615
+ 6918TIP3    H127063  -3.129   2.301  -0.645
+ 6918TIP3    H227064  -3.246   2.235  -0.577
+ 6919TIP3   OH227065  -2.625   2.325  -2.437
+ 6919TIP3    H127066  -2.634   2.283  -2.524
+ 6919TIP3    H227067  -2.635   2.419  -2.461
+ 6920TIP3   OH227068  -3.687   1.780  -0.854
+ 6920TIP3    H127069  -3.684   1.712  -0.924
+ 6920TIP3    H227070  -3.710   1.859  -0.906
+ 6921TIP3   OH227071  -3.657   1.626  -1.110
+ 6921TIP3    H127072  -3.607   1.676  -1.176
+ 6921TIP3    H227073  -3.749   1.627  -1.146
+ 6922TIP3   OH227074  -3.497   2.171  -1.069
+ 6922TIP3    H127075  -3.417   2.163  -1.122
+ 6922TIP3    H227076  -3.533   2.256  -1.101
+ 6923TIP3   OH227077  -3.044   1.941  -0.579
+ 6923TIP3    H127078  -3.016   1.849  -0.596
+ 6923TIP3    H227079  -2.959   1.988  -0.585
+ 6924TIP3   OH227080  -2.949   2.242  -0.739
+ 6924TIP3    H127081  -2.981   2.302  -0.810
+ 6924TIP3    H227082  -2.862   2.218  -0.775
+ 6925TIP3   OH227083  -3.875   1.966  -0.676
+ 6925TIP3    H127084  -3.929   1.884  -0.677
+ 6925TIP3    H227085  -3.797   1.937  -0.725
+ 6926TIP3   OH227086  -3.583   1.358  -1.077
+ 6926TIP3    H127087  -3.604   1.453  -1.092
+ 6926TIP3    H227088  -3.654   1.315  -1.129
+ 6927TIP3   OH227089  -3.457   1.815  -0.691
+ 6927TIP3    H127090  -3.502   1.792  -0.608
+ 6927TIP3    H227091  -3.530   1.795  -0.754
+ 6928TIP3   OH227092  -3.196   1.716  -0.804
+ 6928TIP3    H127093  -3.289   1.718  -0.776
+ 6928TIP3    H227094  -3.158   1.658  -0.736
+ 6929TIP3   OH227095  -3.027   1.602  -0.564
+ 6929TIP3    H127096  -3.026   1.508  -0.591
+ 6929TIP3    H227097  -3.095   1.603  -0.495
+ 6930TIP3   OH227098  -4.008   1.712  -0.694
+ 6930TIP3    H127099  -4.016   1.640  -0.758
+ 6930TIP3    H227100  -4.031   1.667  -0.611
+ 6931TIP3   OH227101  -3.594   1.312  -0.791
+ 6931TIP3    H127102  -3.541   1.231  -0.786
+ 6931TIP3    H227103  -3.601   1.323  -0.888
+ 6932TIP3   OH227104  -3.494   1.503  -0.610
+ 6932TIP3    H127105  -3.523   1.438  -0.677
+ 6932TIP3    H227106  -3.572   1.559  -0.600
+ 6933TIP3   OH227107  -3.600   3.198  -2.260
+ 6933TIP3    H127108  -3.504   3.208  -2.249
+ 6933TIP3    H227109  -3.613   3.241  -2.345
+ 6934TIP3   OH227110  -4.199   2.687  -2.353
+ 6934TIP3    H127111  -4.122   2.682  -2.293
+ 6934TIP3    H227112  -4.217   2.594  -2.373
+ 6935TIP3   OH227113  -4.273   2.964  -1.640
+ 6935TIP3    H127114  -4.276   2.876  -1.599
+ 6935TIP3    H227115  -4.244   3.016  -1.564
+ 6936TIP3   OH227116  -2.517   3.081  -1.335
+ 6936TIP3    H127117  -2.499   3.081  -1.239
+ 6936TIP3    H227118  -2.433   3.116  -1.368
+ 6937TIP3   OH227119  -2.527   3.030  -1.045
+ 6937TIP3    H127120  -2.575   2.954  -1.082
+ 6937TIP3    H227121  -2.469   2.985  -0.981
+ 6938TIP3   OH227122  -2.726   2.571  -0.617
+ 6938TIP3    H127123  -2.815   2.581  -0.578
+ 6938TIP3    H227124  -2.680   2.651  -0.586
+ 6939TIP3   OH227125  -2.588   2.461  -2.042
+ 6939TIP3    H127126  -2.497   2.496  -2.029
+ 6939TIP3    H227127  -2.593   2.397  -1.970
+ 6940TIP3   OH227128  -2.534   2.257  -1.838
+ 6940TIP3    H127129  -2.607   2.201  -1.805
+ 6940TIP3    H227130  -2.476   2.264  -1.760
+ 6941TIP3   OH227131  -2.700   2.793  -1.120
+ 6941TIP3    H127132  -2.767   2.843  -1.071
+ 6941TIP3    H227133  -2.748   2.768  -1.201
+ 6942TIP3   OH227134  -2.517   2.203  -2.186
+ 6942TIP3    H127135  -2.566   2.229  -2.266
+ 6942TIP3    H227136  -2.527   2.282  -2.132
+ 6943TIP3   OH227137  -2.686   1.958  -2.361
+ 6943TIP3    H127138  -2.662   2.018  -2.433
+ 6943TIP3    H227139  -2.711   1.877  -2.409
+ 6944TIP3   OH227140  -2.743   2.073  -1.764
+ 6944TIP3    H127141  -2.750   1.978  -1.783
+ 6944TIP3    H227142  -2.784   2.079  -1.675
+ 6945TIP3   OH227143  -4.263   2.308  -1.373
+ 6945TIP3    H127144  -4.236   2.324  -1.465
+ 6945TIP3    H227145  -4.179   2.277  -1.334
+ 6946TIP3   OH227146  -2.681   2.260  -0.852
+ 6946TIP3    H127147  -2.610   2.196  -0.831
+ 6946TIP3    H227148  -2.633   2.343  -0.861
+ 6947TIP3   OH227149  -2.523   2.059  -0.741
+ 6947TIP3    H127150  -2.607   2.011  -0.753
+ 6947TIP3    H227151  -2.460   1.985  -0.737
+ 6948TIP3   OH227152  -2.740   1.693  -2.441
+ 6948TIP3    H127153  -2.682   1.643  -2.381
+ 6948TIP3    H227154  -2.820   1.639  -2.447
+ 6949TIP3   OH227155  -2.758   1.822  -1.945
+ 6949TIP3    H127156  -2.736   1.727  -1.940
+ 6949TIP3    H227157  -2.678   1.856  -1.988
+ 6950TIP3   OH227158  -2.732   1.876  -1.401
+ 6950TIP3    H127159  -2.634   1.883  -1.402
+ 6950TIP3    H227160  -2.747   1.872  -1.306
+ 6951TIP3   OH227161  -2.714   1.957  -1.121
+ 6951TIP3    H127162  -2.802   1.988  -1.093
+ 6951TIP3    H227163  -2.668   2.040  -1.140
+ 6952TIP3   OH227164  -4.280   1.819  -0.740
+ 6952TIP3    H127165  -4.197   1.776  -0.765
+ 6952TIP3    H227166  -4.346   1.748  -0.742
+ 6953TIP3   OH227167  -2.712   1.542  -1.949
+ 6953TIP3    H127168  -2.701   1.507  -1.859
+ 6953TIP3    H227169  -2.792   1.492  -1.979
+ 6954TIP3   OH227170  -4.196   1.674  -1.436
+ 6954TIP3    H127171  -4.166   1.583  -1.445
+ 6954TIP3    H227172  -4.113   1.724  -1.428
+ 6955TIP3   OH227173  -4.348   1.957  -1.377
+ 6955TIP3    H127174  -4.326   1.883  -1.436
+ 6955TIP3    H227175  -4.281   2.021  -1.400
+ 6956TIP3   OH227176  -2.515   1.590  -2.282
+ 6956TIP3    H127177  -2.485   1.510  -2.327
+ 6956TIP3    H227178  -2.433   1.642  -2.275
+ 6957TIP3   OH227179  -4.313   1.542  -2.013
+ 6957TIP3    H127180  -4.400   1.572  -2.045
+ 6957TIP3    H227181  -4.256   1.617  -2.038
+ 6958TIP3   OH227182  -2.827   3.086  -1.753
+ 6958TIP3    H127183  -2.781   3.066  -1.836
+ 6958TIP3    H227184  -2.759   3.131  -1.702
+ 6959TIP3   OH227185  -4.296   1.430  -1.176
+ 6959TIP3    H127186  -4.360   1.431  -1.101
+ 6959TIP3    H227187  -4.332   1.495  -1.239
+ 6960TIP3   OH227188  -4.116   2.794  -0.703
+ 6960TIP3    H127189  -4.170   2.733  -0.755
+ 6960TIP3    H227190  -4.132   2.760  -0.612
+ 6961TIP3   OH227191  -3.801   2.860  -1.112
+ 6961TIP3    H127192  -3.834   2.943  -1.150
+ 6961TIP3    H227193  -3.706   2.869  -1.131
+ 6962TIP3   OH227194  -3.351   2.988  -0.813
+ 6962TIP3    H127195  -3.338   2.973  -0.718
+ 6962TIP3    H227196  -3.268   3.035  -0.837
+ 6963TIP3   OH227197  -3.122   3.135  -0.889
+ 6963TIP3    H127198  -3.054   3.070  -0.909
+ 6963TIP3    H227199  -3.093   3.167  -0.802
+ 6964TIP3   OH227200  -2.620   1.417  -0.980
+ 6964TIP3    H127201  -2.701   1.435  -1.029
+ 6964TIP3    H227202  -2.594   1.332  -1.016
+ 6965TIP3   OH227203  -4.069   3.165  -1.089
+ 6965TIP3    H127204  -4.139   3.214  -1.137
+ 6965TIP3    H227205  -4.101   3.173  -0.998
+ 6966TIP3   OH227206  -3.818   3.132  -1.224
+ 6966TIP3    H127207  -3.905   3.150  -1.183
+ 6966TIP3    H227208  -3.815   3.199  -1.295
+ 6967TIP3   OH227209  -3.340   3.132  -1.270
+ 6967TIP3    H127210  -3.380   3.176  -1.347
+ 6967TIP3    H227211  -3.333   3.206  -1.207
+ 6968TIP3   OH227212  -3.108   3.002  -1.179
+ 6968TIP3    H127213  -3.193   3.039  -1.210
+ 6968TIP3    H227214  -3.052   3.081  -1.179
+ 6969TIP3   OH227215  -2.855   3.175  -1.160
+ 6969TIP3    H127216  -2.860   3.272  -1.177
+ 6969TIP3    H227217  -2.827   3.144  -1.247
+ 6970TIP3   OH227218  -4.125   3.041  -1.391
+ 6970TIP3    H127219  -4.135   2.995  -1.305
+ 6970TIP3    H227220  -4.049   2.992  -1.429
+ 6971TIP3   OH227221  -3.909   2.913  -1.541
+ 6971TIP3    H127222  -3.927   2.821  -1.513
+ 6971TIP3    H227223  -3.820   2.928  -1.507
+ 6972TIP3   OH227224  -3.628   2.956  -1.454
+ 6972TIP3    H127225  -3.613   2.862  -1.476
+ 6972TIP3    H227226  -3.624   2.953  -1.358
+ 6973TIP3   OH227227  -3.297   1.545  -1.523
+ 6973TIP3    H127228  -3.366   1.477  -1.507
+ 6973TIP3    H227229  -3.237   1.497  -1.583
+ 6974TIP3   OH227230  -2.796   1.351  -1.477
+ 6974TIP3    H127231  -2.725   1.397  -1.526
+ 6974TIP3    H227232  -2.875   1.372  -1.529
+ 6975TIP3   OH227233  -2.593   1.455  -1.692
+ 6975TIP3    H127234  -2.520   1.415  -1.742
+ 6975TIP3    H227235  -2.561   1.546  -1.679
+ 6976TIP3   OH227236  -4.106   1.403  -1.773
+ 6976TIP3    H127237  -4.181   1.371  -1.825
+ 6976TIP3    H227238  -4.045   1.327  -1.779
+ 6977TIP3   OH227239  -4.184   1.363  -2.192
+ 6977TIP3    H127240  -4.131   1.430  -2.239
+ 6977TIP3    H227241  -4.233   1.418  -2.128
+ 6978TIP3   OH227242  -3.616   1.402  -1.779
+ 6978TIP3    H127243  -3.523   1.427  -1.793
+ 6978TIP3    H227244  -3.618   1.389  -1.684
+ 6979TIP3   OH227245  -3.055   1.402  -1.638
+ 6979TIP3    H127246  -3.029   1.384  -1.729
+ 6979TIP3    H227247  -3.095   1.317  -1.612
+ 6980TIP3   OH227248  -2.944   1.402  -2.042
+ 6980TIP3    H127249  -3.027   1.452  -2.055
+ 6980TIP3    H227250  -2.979   1.313  -2.024
+ 6981TIP3   OH227251  -4.189   2.965  -2.084
+ 6981TIP3    H127252  -4.249   2.947  -2.156
+ 6981TIP3    H227253  -4.183   3.062  -2.086
+ 6982TIP3   OH227254  -4.005   1.553  -2.335
+ 6982TIP3    H127255  -3.948   1.493  -2.385
+ 6982TIP3    H227256  -3.944   1.582  -2.265
+ 6983TIP3   OH227257  -3.498   1.566  -2.075
+ 6983TIP3    H127258  -3.466   1.507  -2.006
+ 6983TIP3    H227259  -3.478   1.652  -2.035
+ 6984TIP3   OH227260  -3.295   3.143  -2.251
+ 6984TIP3    H127261  -3.198   3.145  -2.256
+ 6984TIP3    H227262  -3.315   3.078  -2.320
+ 6985TIP3   OH227263  -2.647   3.046  -1.992
+ 6985TIP3    H127264  -2.668   2.963  -2.037
+ 6985TIP3    H227265  -2.646   3.109  -2.066
+ 6986TIP3   OH227266  -4.079   1.443  -0.816
+ 6986TIP3    H127267  -4.125   1.367  -0.778
+ 6986TIP3    H227268  -3.988   1.426  -0.787
+ 6987TIP3   OH227269  -3.842   1.380  -0.639
+ 6987TIP3    H127270  -3.761   1.342  -0.680
+ 6987TIP3    H227271  -3.878   1.301  -0.595
+ 6988TIP3   OH227272  -4.012   3.065  -2.386
+ 6988TIP3    H127273  -4.040   3.082  -2.295
+ 6988TIP3    H227274  -3.941   2.999  -2.373
+ 6989TIP3   OH227275  -3.012   1.322  -0.621
+ 6989TIP3    H127276  -3.016   1.264  -0.543
+ 6989TIP3    H227277  -2.924   1.297  -0.658
+ 6990TIP3   OH227278  -2.694   2.922  -0.756
+ 6990TIP3    H127279  -2.769   2.904  -0.816
+ 6990TIP3    H227280  -2.710   3.016  -0.734
+ 6991TIP3   OH227281  -1.275   2.290  -1.741
+ 6991TIP3    H127282  -1.275   2.386  -1.730
+ 6991TIP3    H227283  -1.352   2.278  -1.799
+ 6992TIP3   OH227284  -1.391   2.234  -1.433
+ 6992TIP3    H127285  -1.389   2.176  -1.355
+ 6992TIP3    H227286  -1.416   2.172  -1.503
+ 6993TIP3   OH227287  -2.167   2.201  -1.276
+ 6993TIP3    H127288  -2.168   2.123  -1.218
+ 6993TIP3    H227289  -2.091   2.249  -1.240
+ 6994TIP3   OH227290  -1.021   2.507  -1.602
+ 6994TIP3    H127291  -1.059   2.437  -1.547
+ 6994TIP3    H227292  -0.994   2.572  -1.535
+ 6995TIP3   OH227293  -2.079   2.644  -1.422
+ 6995TIP3    H127294  -2.063   2.550  -1.442
+ 6995TIP3    H227295  -1.990   2.666  -1.387
+ 6996TIP3   OH227296  -2.379   2.005  -1.875
+ 6996TIP3    H127297  -2.427   2.089  -1.877
+ 6996TIP3    H227298  -2.443   1.945  -1.916
+ 6997TIP3   OH227299  -2.316   2.266  -1.644
+ 6997TIP3    H127300  -2.303   2.176  -1.608
+ 6997TIP3    H227301  -2.251   2.266  -1.715
+ 6998TIP3   OH227302  -1.324   3.036  -1.549
+ 6998TIP3    H127303  -1.255   2.974  -1.578
+ 6998TIP3    H227304  -1.340   3.009  -1.458
+ 6999TIP3   OH227305  -1.541   2.485  -1.377
+ 6999TIP3    H127306  -1.508   2.413  -1.433
+ 6999TIP3    H227307  -1.459   2.502  -1.326
+ 7000TIP3   OH227308  -0.685   1.638  -1.281
+ 7000TIP3    H127309  -0.647   1.690  -1.210
+ 7000TIP3    H227310  -0.622   1.653  -1.352
+ 7001TIP3   OH227311  -1.217   1.919  -1.327
+ 7001TIP3    H127312  -1.189   1.826  -1.322
+ 7001TIP3    H227313  -1.220   1.933  -1.423
+ 7002TIP3   OH227314  -1.916   1.732  -1.626
+ 7002TIP3    H127315  -1.902   1.816  -1.675
+ 7002TIP3    H227316  -1.953   1.678  -1.698
+ 7003TIP3   OH227317  -1.128   1.735  -1.788
+ 7003TIP3    H127318  -1.071   1.694  -1.718
+ 7003TIP3    H227319  -1.061   1.780  -1.841
+ 7004TIP3   OH227320  -2.248   1.993  -1.569
+ 7004TIP3    H127321  -2.184   1.942  -1.516
+ 7004TIP3    H227322  -2.240   1.947  -1.655
+ 7005TIP3   OH227323  -1.713   2.132  -1.616
+ 7005TIP3    H127324  -1.639   2.079  -1.581
+ 7005TIP3    H227325  -1.759   2.067  -1.672
+ 7006TIP3   OH227326  -2.039   1.632  -1.195
+ 7006TIP3    H127327  -2.063   1.693  -1.267
+ 7006TIP3    H227328  -2.114   1.642  -1.135
+ 7007TIP3   OH227329  -1.286   2.573  -1.863
+ 7007TIP3    H127330  -1.314   2.555  -1.954
+ 7007TIP3    H227331  -1.328   2.659  -1.845
+ 7008TIP3   OH227332  -1.741   2.387  -1.191
+ 7008TIP3    H127333  -1.814   2.447  -1.167
+ 7008TIP3    H227334  -1.677   2.447  -1.234
+ 7009TIP3   OH227335  -0.948   1.661  -1.582
+ 7009TIP3    H127336  -0.978   1.593  -1.519
+ 7009TIP3    H227337  -0.893   1.716  -1.523
+ 7010TIP3   OH227338  -2.073   1.803  -1.413
+ 7010TIP3    H127339  -2.010   1.862  -1.367
+ 7010TIP3    H227340  -2.019   1.776  -1.490
+ 7011TIP3   OH227341  -1.946   2.575  -1.125
+ 7011TIP3    H127342  -1.944   2.670  -1.145
+ 7011TIP3    H227343  -2.027   2.570  -1.071
+ 7012TIP3   OH227344  -2.314   2.546  -2.027
+ 7012TIP3    H127345  -2.328   2.590  -2.113
+ 7012TIP3    H227346  -2.295   2.620  -1.967
+ 7013TIP3   OH227347  -0.965   2.690  -1.354
+ 7013TIP3    H127348  -1.061   2.701  -1.352
+ 7013TIP3    H227349  -0.937   2.776  -1.389
+ 7014TIP3   OH227350  -1.634   1.332  -1.487
+ 7014TIP3    H127351  -1.653   1.238  -1.474
+ 7014TIP3    H227352  -1.717   1.375  -1.457
+ 7015TIP3   OH227353  -1.133   2.882  -1.695
+ 7015TIP3    H127354  -1.083   2.806  -1.729
+ 7015TIP3    H227355  -1.069   2.955  -1.709
+ 7016TIP3   OH227356  -0.987   2.666  -1.836
+ 7016TIP3    H127357  -1.043   2.623  -1.902
+ 7016TIP3    H227358  -0.996   2.605  -1.760
+ 7017TIP3   OH227359  -0.842   2.547  -0.987
+ 7017TIP3    H127360  -0.849   2.485  -1.061
+ 7017TIP3    H227361  -0.830   2.633  -1.032
+ 7018TIP3   OH227362  -1.413   2.242  -2.016
+ 7018TIP3    H127363  -1.477   2.305  -2.054
+ 7018TIP3    H227364  -1.339   2.250  -2.079
+ 7019TIP3   OH227365  -1.379   2.053  -2.307
+ 7019TIP3    H127366  -1.312   2.091  -2.247
+ 7019TIP3    H227367  -1.323   2.007  -2.370
+ 7020TIP3   OH227368  -0.641   2.183  -1.173
+ 7020TIP3    H127369  -0.726   2.232  -1.176
+ 7020TIP3    H227370  -0.605   2.205  -1.261
+ 7021TIP3   OH227371  -1.059   2.241  -1.908
+ 7021TIP3    H127372  -1.126   2.264  -1.840
+ 7021TIP3    H227373  -0.998   2.186  -1.855
+ 7022TIP3   OH227374  -1.069   2.088  -1.003
+ 7022TIP3    H127375  -1.060   2.173  -0.958
+ 7022TIP3    H227376  -1.131   2.112  -1.074
+ 7023TIP3   OH227377  -1.907   2.319  -1.725
+ 7023TIP3    H127378  -1.933   2.278  -1.810
+ 7023TIP3    H227379  -1.837   2.257  -1.695
+ 7024TIP3   OH227380  -1.768   2.654  -1.455
+ 7024TIP3    H127381  -1.770   2.623  -1.546
+ 7024TIP3    H227382  -1.686   2.614  -1.422
+ 7025TIP3   OH227383  -1.854   2.203  -1.378
+ 7025TIP3    H127384  -1.795   2.199  -1.456
+ 7025TIP3    H227385  -1.807   2.264  -1.318
+ 7026TIP3   OH227386  -1.247   2.751  -1.323
+ 7026TIP3    H127387  -1.244   2.820  -1.255
+ 7026TIP3    H227388  -1.267   2.670  -1.273
+ 7027TIP3   OH227389  -1.757   2.633  -0.894
+ 7027TIP3    H127390  -1.809   2.702  -0.849
+ 7027TIP3    H227391  -1.819   2.606  -0.964
+ 7028TIP3   OH227392  -1.164   2.187  -2.162
+ 7028TIP3    H127393  -1.117   2.215  -2.081
+ 7028TIP3    H227394  -1.114   2.238  -2.231
+ 7029TIP3   OH227395  -2.066   2.276  -0.992
+ 7029TIP3    H127396  -2.057   2.326  -0.909
+ 7029TIP3    H227397  -2.161   2.256  -0.993
+ 7030TIP3   OH227398  -1.414   2.848  -1.805
+ 7030TIP3    H127399  -1.368   2.876  -1.724
+ 7030TIP3    H227400  -1.476   2.921  -1.820
+ 7031TIP3   OH227401  -1.943   2.845  -0.818
+ 7031TIP3    H127402  -1.958   2.857  -0.913
+ 7031TIP3    H227403  -2.033   2.825  -0.783
+ 7032TIP3   OH227404  -0.824   1.362  -2.217
+ 7032TIP3    H127405  -0.906   1.373  -2.167
+ 7032TIP3    H227406  -0.783   1.450  -2.209
+ 7033TIP3   OH227407  -2.008   2.196  -1.978
+ 7033TIP3    H127408  -2.028   2.271  -2.038
+ 7033TIP3    H227409  -2.072   2.130  -2.008
+ 7034TIP3   OH227410  -0.681   2.774  -2.359
+ 7034TIP3    H127411  -0.667   2.868  -2.336
+ 7034TIP3    H227412  -0.594   2.735  -2.337
+ 7035TIP3   OH227413  -2.398   2.453  -1.145
+ 7035TIP3    H127414  -2.479   2.425  -1.190
+ 7035TIP3    H227415  -2.376   2.372  -1.097
+ 7036TIP3   OH227416  -0.560   2.813  -0.838
+ 7036TIP3    H127417  -0.572   2.717  -0.848
+ 7036TIP3    H227418  -0.649   2.838  -0.803
+ 7037TIP3   OH227419  -1.491   2.736  -0.952
+ 7037TIP3    H127420  -1.482   2.820  -0.902
+ 7037TIP3    H227421  -1.582   2.709  -0.930
+ 7038TIP3   OH227422  -2.081   3.028  -1.800
+ 7038TIP3    H127423  -2.067   2.991  -1.711
+ 7038TIP3    H227424  -2.170   2.997  -1.821
+ 7039TIP3   OH227425  -1.124   3.064  -2.241
+ 7039TIP3    H127426  -1.072   2.993  -2.283
+ 7039TIP3    H227427  -1.139   3.030  -2.151
+ 7040TIP3   OH227428  -1.200   3.004  -1.963
+ 7040TIP3    H127429  -1.293   3.027  -1.949
+ 7040TIP3    H227430  -1.187   2.937  -1.894
+ 7041TIP3   OH227431  -2.181   2.614  -0.977
+ 7041TIP3    H127432  -2.153   2.568  -0.895
+ 7041TIP3    H227433  -2.248   2.556  -1.014
+ 7042TIP3   OH227434  -1.864   1.476  -1.422
+ 7042TIP3    H127435  -1.945   1.426  -1.432
+ 7042TIP3    H227436  -1.896   1.567  -1.413
+ 7043TIP3   OH227437  -1.431   1.396  -1.016
+ 7043TIP3    H127438  -1.379   1.369  -0.938
+ 7043TIP3    H227439  -1.516   1.356  -0.995
+ 7044TIP3   OH227440  -1.144   1.790  -0.962
+ 7044TIP3    H127441  -1.145   1.772  -0.867
+ 7044TIP3    H227442  -1.111   1.882  -0.967
+ 7045TIP3   OH227443  -1.008   2.291  -2.362
+ 7045TIP3    H127444  -1.028   2.277  -2.457
+ 7045TIP3    H227445  -0.915   2.321  -2.366
+ 7046TIP3   OH227446  -1.452   1.646  -2.326
+ 7046TIP3    H127447  -1.495   1.668  -2.242
+ 7046TIP3    H227448  -1.507   1.572  -2.353
+ 7047TIP3   OH227449  -1.881   1.939  -1.265
+ 7047TIP3    H127450  -1.934   1.949  -1.184
+ 7047TIP3    H227451  -1.871   2.031  -1.296
+ 7048TIP3   OH227452  -1.882   1.958  -1.780
+ 7048TIP3    H127453  -1.978   1.950  -1.798
+ 7048TIP3    H227454  -1.846   1.935  -1.868
+ 7049TIP3   OH227455  -1.323   2.006  -1.897
+ 7049TIP3    H127456  -1.363   2.089  -1.931
+ 7049TIP3    H227457  -1.253   1.991  -1.963
+ 7050TIP3   OH227458  -1.404   2.027  -0.753
+ 7050TIP3    H127459  -1.451   1.944  -0.728
+ 7050TIP3    H227460  -1.316   2.012  -0.715
+ 7051TIP3   OH227461  -1.236   1.946  -1.618
+ 7051TIP3    H127462  -1.264   2.003  -1.692
+ 7051TIP3    H227463  -1.213   1.865  -1.668
+ 7052TIP3   OH227464  -2.145   1.944  -1.084
+ 7052TIP3    H127465  -2.115   1.977  -0.998
+ 7052TIP3    H227466  -2.214   1.880  -1.059
+ 7053TIP3   OH227467  -1.790   1.694  -2.421
+ 7053TIP3    H127468  -1.833   1.663  -2.339
+ 7053TIP3    H227469  -1.865   1.727  -2.471
+ 7054TIP3   OH227470  -2.447   1.711  -1.708
+ 7054TIP3    H127471  -2.386   1.686  -1.635
+ 7054TIP3    H227472  -2.409   1.666  -1.785
+ 7055TIP3   OH227473  -2.297   1.748  -2.143
+ 7055TIP3    H127474  -2.243   1.796  -2.209
+ 7055TIP3    H227475  -2.368   1.812  -2.126
+ 7056TIP3   OH227476  -1.320   2.115  -1.167
+ 7056TIP3    H127477  -1.278   2.043  -1.219
+ 7056TIP3    H227478  -1.353   2.066  -1.090
+ 7057TIP3   OH227479  -1.605   1.706  -1.671
+ 7057TIP3    H127480  -1.699   1.706  -1.650
+ 7057TIP3    H227481  -1.565   1.687  -1.584
+ 7058TIP3   OH227482  -2.144   1.832  -1.810
+ 7058TIP3    H127483  -2.229   1.854  -1.852
+ 7058TIP3    H227484  -2.119   1.748  -1.853
+ 7059TIP3   OH227485  -1.784   1.864  -2.035
+ 7059TIP3    H127486  -1.687   1.875  -2.030
+ 7059TIP3    H227487  -1.811   1.921  -2.108
+ 7060TIP3   OH227488  -1.168   1.618  -1.369
+ 7060TIP3    H127489  -1.237   1.630  -1.301
+ 7060TIP3    H227490  -1.222   1.588  -1.444
+ 7061TIP3   OH227491  -1.936   1.982  -2.259
+ 7061TIP3    H127492  -1.997   1.961  -2.333
+ 7061TIP3    H227493  -1.857   2.008  -2.309
+ 7062TIP3   OH227494  -0.865   3.199  -0.702
+ 7062TIP3    H127495  -0.844   3.246  -0.785
+ 7062TIP3    H227496  -0.795   3.232  -0.643
+ 7063TIP3   OH227497  -2.073   2.462  -0.759
+ 7063TIP3    H127498  -2.007   2.474  -0.688
+ 7063TIP3    H227499  -2.154   2.459  -0.704
+ 7064TIP3   OH227500  -1.505   1.961  -1.492
+ 7064TIP3    H127501  -1.428   1.921  -1.535
+ 7064TIP3    H227502  -1.519   1.902  -1.415
+ 7065TIP3   OH227503  -1.985   1.595  -1.870
+ 7065TIP3    H127504  -2.033   1.515  -1.844
+ 7065TIP3    H227505  -1.905   1.560  -1.910
+ 7066TIP3   OH227506  -1.603   1.809  -1.264
+ 7066TIP3    H127507  -1.683   1.865  -1.263
+ 7066TIP3    H227508  -1.557   1.837  -1.182
+ 7067TIP3   OH227509  -1.594   2.449  -2.077
+ 7067TIP3    H127510  -1.671   2.399  -2.111
+ 7067TIP3    H227511  -1.613   2.453  -1.980
+ 7068TIP3   OH227512  -0.869   2.360  -1.201
+ 7068TIP3    H127513  -0.819   2.414  -1.265
+ 7068TIP3    H227514  -0.955   2.350  -1.248
+ 7069TIP3   OH227515  -1.183   1.729  -2.297
+ 7069TIP3    H127516  -1.281   1.730  -2.303
+ 7069TIP3    H227517  -1.162   1.803  -2.237
+ 7070TIP3   OH227518  -1.431   2.447  -0.944
+ 7070TIP3    H127519  -1.457   2.418  -0.856
+ 7070TIP3    H227520  -1.457   2.540  -0.944
+ 7071TIP3   OH227521  -1.109   1.911  -2.096
+ 7071TIP3    H127522  -1.022   1.895  -2.054
+ 7071TIP3    H227523  -1.098   2.001  -2.134
+ 7072TIP3   OH227524  -2.088   2.388  -1.500
+ 7072TIP3    H127525  -2.021   2.375  -1.571
+ 7072TIP3    H227526  -2.079   2.303  -1.452
+ 7073TIP3   OH227527  -1.352   2.580  -2.180
+ 7073TIP3    H127528  -1.378   2.668  -2.146
+ 7073TIP3    H227529  -1.429   2.527  -2.155
+ 7074TIP3   OH227530  -2.353   2.218  -0.964
+ 7074TIP3    H127531  -2.337   2.175  -0.877
+ 7074TIP3    H227532  -2.411   2.154  -1.008
+ 7075TIP3   OH227533  -1.654   2.172  -0.769
+ 7075TIP3    H127534  -1.689   2.144  -0.855
+ 7075TIP3    H227535  -1.564   2.136  -0.774
+ 7076TIP3   OH227536  -1.201   2.702  -0.996
+ 7076TIP3    H127537  -1.297   2.716  -1.002
+ 7076TIP3    H227538  -1.183   2.731  -0.905
+ 7077TIP3   OH227539  -0.650   1.912  -2.117
+ 7077TIP3    H127540  -0.705   1.892  -2.195
+ 7077TIP3    H227541  -0.638   2.008  -2.132
+ 7078TIP3   OH227542  -0.608   2.512  -0.845
+ 7078TIP3    H127543  -0.702   2.534  -0.861
+ 7078TIP3    H227544  -0.576   2.503  -0.937
+ 7079TIP3   OH227545  -0.831   2.773  -2.110
+ 7079TIP3    H127546  -0.850   2.696  -2.055
+ 7079TIP3    H227547  -0.775   2.736  -2.180
+ 7080TIP3   OH227548  -1.102   2.307  -1.372
+ 7080TIP3    H127549  -1.196   2.291  -1.395
+ 7080TIP3    H227550  -1.059   2.233  -1.420
+ 7081TIP3   OH227551  -1.844   2.717  -1.763
+ 7081TIP3    H127552  -1.796   2.800  -1.779
+ 7081TIP3    H227553  -1.931   2.740  -1.797
+ 7082TIP3   OH227554  -2.240   2.194  -2.303
+ 7082TIP3    H127555  -2.183   2.264  -2.267
+ 7082TIP3    H227556  -2.329   2.226  -2.276
+ 7083TIP3   OH227557  -1.658   2.483  -1.804
+ 7083TIP3    H127558  -1.684   2.575  -1.791
+ 7083TIP3    H227559  -1.730   2.436  -1.761
+ 7084TIP3   OH227560  -1.641   2.909  -1.169
+ 7084TIP3    H127561  -1.587   2.986  -1.198
+ 7084TIP3    H227562  -1.578   2.862  -1.113
+ 7085TIP3   OH227563  -1.792   3.004  -1.846
+ 7085TIP3    H127564  -1.888   3.020  -1.847
+ 7085TIP3    H227565  -1.761   3.094  -1.826
+ 7086TIP3   OH227566  -1.299   2.483  -1.211
+ 7086TIP3    H127567  -1.328   2.457  -1.122
+ 7086TIP3    H227568  -1.225   2.422  -1.228
+ 7087TIP3   OH227569  -1.083   2.612  -2.321
+ 7087TIP3    H127570  -1.041   2.569  -2.245
+ 7087TIP3    H227571  -1.176   2.600  -2.296
+ 7088TIP3   OH227572  -1.005   2.941  -0.974
+ 7088TIP3    H127573  -1.082   2.897  -1.017
+ 7088TIP3    H227574  -0.995   3.021  -1.027
+ 7089TIP3   OH227575  -0.608   3.040  -2.270
+ 7089TIP3    H127576  -0.541   3.107  -2.292
+ 7089TIP3    H227577  -0.686   3.099  -2.263
+ 7090TIP3   OH227578  -0.986   2.475  -2.083
+ 7090TIP3    H127579  -1.012   2.404  -2.022
+ 7090TIP3    H227580  -0.889   2.475  -2.073
+ 7091TIP3   OH227581  -2.244   2.852  -1.168
+ 7091TIP3    H127582  -2.210   2.764  -1.147
+ 7091TIP3    H227583  -2.227   2.898  -1.085
+ 7092TIP3   OH227584  -1.662   2.717  -2.465
+ 7092TIP3    H127585  -1.633   2.638  -2.513
+ 7092TIP3    H227586  -1.704   2.680  -2.386
+ 7093TIP3   OH227587  -1.779   2.684  -2.180
+ 7093TIP3    H127588  -1.720   2.631  -2.125
+ 7093TIP3    H227589  -1.752   2.775  -2.159
+ 7094TIP3   OH227590  -2.090   2.416  -2.150
+ 7094TIP3    H127591  -2.164   2.457  -2.101
+ 7094TIP3    H227592  -2.044   2.495  -2.183
+ 7095TIP3   OH227593  -1.313   1.646  -1.144
+ 7095TIP3    H127594  -1.261   1.684  -1.070
+ 7095TIP3    H227595  -1.371   1.581  -1.100
+ 7096TIP3   OH227596  -1.258   1.605  -2.026
+ 7096TIP3    H127597  -1.238   1.661  -2.102
+ 7096TIP3    H227598  -1.217   1.655  -1.953
+ 7097TIP3   OH227599  -1.493   2.829  -2.127
+ 7097TIP3    H127600  -1.569   2.888  -2.112
+ 7097TIP3    H227601  -1.438   2.887  -2.182
+ 7098TIP3   OH227602  -1.517   1.805  -1.929
+ 7098TIP3    H127603  -1.443   1.868  -1.915
+ 7098TIP3    H227604  -1.547   1.789  -1.838
+ 7099TIP3   OH227605  -1.481   1.896  -1.015
+ 7099TIP3    H127606  -1.478   1.947  -0.933
+ 7099TIP3    H227607  -1.424   1.821  -0.995
+ 7100TIP3   OH227608  -1.460   1.507  -1.833
+ 7100TIP3    H127609  -1.482   1.575  -1.767
+ 7100TIP3    H227610  -1.387   1.550  -1.882
+ 7101TIP3   OH227611  -1.747   2.970  -2.138
+ 7101TIP3    H127612  -1.734   3.054  -2.185
+ 7101TIP3    H227613  -1.764   3.003  -2.048
+ 7102TIP3   OH227614  -1.890   1.612  -2.179
+ 7102TIP3    H127615  -1.888   1.690  -2.121
+ 7102TIP3    H227616  -1.809   1.565  -2.150
+ 7103TIP3   OH227617  -0.819   1.683  -0.968
+ 7103TIP3    H127618  -0.912   1.702  -0.955
+ 7103TIP3    H227619  -0.807   1.703  -1.061
+ 7104TIP3   OH227620  -1.000   2.078  -1.520
+ 7104TIP3    H127621  -1.082   2.033  -1.548
+ 7104TIP3    H227622  -0.952   2.007  -1.473
+ 7105TIP3   OH227623  -2.049   2.693  -2.274
+ 7105TIP3    H127624  -1.976   2.744  -2.235
+ 7105TIP3    H227625  -2.000   2.647  -2.345
+ 7106TIP3   OH227626  -2.234   1.916  -2.363
+ 7106TIP3    H127627  -2.223   2.010  -2.339
+ 7106TIP3    H227628  -2.320   1.915  -2.406
+ 7107TIP3   OH227629  -0.899   2.967  -1.383
+ 7107TIP3    H127630  -0.919   3.047  -1.435
+ 7107TIP3    H227631  -0.806   2.983  -1.361
+ 7108TIP3   OH227632  -2.257   2.763  -1.852
+ 7108TIP3    H127633  -2.332   2.823  -1.839
+ 7108TIP3    H227634  -2.207   2.812  -1.918
+ 7109TIP3   OH227635  -2.310   3.058  -0.743
+ 7109TIP3    H127636  -2.253   3.031  -0.668
+ 7109TIP3    H227637  -2.350   2.973  -0.770
+ 7110TIP3   OH227638  -1.849   2.962  -0.564
+ 7110TIP3    H127639  -1.775   2.904  -0.539
+ 7110TIP3    H227640  -1.863   2.937  -0.656
+ 7111TIP3   OH227641  -1.436   2.882  -2.423
+ 7111TIP3    H127642  -1.515   2.824  -2.424
+ 7111TIP3    H227643  -1.370   2.821  -2.458
+ 7112TIP3   OH227644  -1.197   2.789  -0.708
+ 7112TIP3    H127645  -1.234   2.709  -0.666
+ 7112TIP3    H227646  -1.127   2.815  -0.645
+ 7113TIP3   OH227647  -0.974   2.878  -2.404
+ 7113TIP3    H127648  -0.956   2.798  -2.352
+ 7113TIP3    H227649  -0.895   2.885  -2.460
+ 7114TIP3   OH227650  -2.315   2.425  -0.631
+ 7114TIP3    H127651  -2.307   2.332  -0.658
+ 7114TIP3    H227652  -2.394   2.453  -0.681
+ 7115TIP3   OH227653  -1.895   2.465  -2.427
+ 7115TIP3    H127654  -1.876   2.403  -2.354
+ 7115TIP3    H227655  -1.810   2.463  -2.475
+ 7116TIP3   OH227656  -1.649   2.447  -0.692
+ 7116TIP3    H127657  -1.679   2.481  -0.777
+ 7116TIP3    H227658  -1.643   2.351  -0.708
+ 7117TIP3   OH227659  -1.371   2.595  -2.468
+ 7117TIP3    H127660  -1.375   2.591  -2.371
+ 7117TIP3    H227661  -1.376   2.500  -2.489
+ 7118TIP3   OH227662  -1.114   2.396  -0.946
+ 7118TIP3    H127663  -1.037   2.450  -0.970
+ 7118TIP3    H227664  -1.185   2.461  -0.954
+ 7119TIP3   OH227665  -2.224   2.139  -0.716
+ 7119TIP3    H127666  -2.155   2.070  -0.711
+ 7119TIP3    H227667  -2.236   2.156  -0.622
+ 7120TIP3   OH227668  -1.786   2.271  -2.195
+ 7120TIP3    H127669  -1.847   2.220  -2.140
+ 7120TIP3    H227670  -1.756   2.203  -2.259
+ 7121TIP3   OH227671  -1.866   2.047  -0.975
+ 7121TIP3    H127672  -1.916   2.126  -0.948
+ 7121TIP3    H227673  -1.797   2.085  -1.033
+ 7122TIP3   OH227674  -1.692   2.071  -2.370
+ 7122TIP3    H127675  -1.697   2.081  -2.467
+ 7122TIP3    H227676  -1.595   2.070  -2.356
+ 7123TIP3   OH227677  -1.325   2.327  -0.608
+ 7123TIP3    H127678  -1.240   2.302  -0.649
+ 7123TIP3    H227679  -1.362   2.241  -0.585
+ 7124TIP3   OH227680  -0.738   2.325  -2.437
+ 7124TIP3    H127681  -0.749   2.284  -2.524
+ 7124TIP3    H227682  -0.750   2.419  -2.460
+ 7125TIP3   OH227683  -1.806   1.776  -0.859
+ 7125TIP3    H127684  -1.792   1.711  -0.930
+ 7125TIP3    H227685  -1.821   1.858  -0.910
+ 7126TIP3   OH227686  -1.766   1.619  -1.108
+ 7126TIP3    H127687  -1.711   1.666  -1.173
+ 7126TIP3    H227688  -1.855   1.626  -1.147
+ 7127TIP3   OH227689  -1.615   2.167  -1.074
+ 7127TIP3    H127690  -1.530   2.161  -1.119
+ 7127TIP3    H227691  -1.645   2.256  -1.101
+ 7128TIP3   OH227692  -1.163   1.962  -0.588
+ 7128TIP3    H127693  -1.125   1.874  -0.576
+ 7128TIP3    H227694  -1.083   2.014  -0.603
+ 7129TIP3   OH227695  -1.058   2.238  -0.721
+ 7129TIP3    H127696  -1.087   2.301  -0.790
+ 7129TIP3    H227697  -0.965   2.226  -0.748
+ 7130TIP3   OH227698  -1.982   1.957  -0.675
+ 7130TIP3    H127699  -2.042   1.882  -0.671
+ 7130TIP3    H227700  -1.903   1.920  -0.719
+ 7131TIP3   OH227701  -1.741   1.337  -1.054
+ 7131TIP3    H127702  -1.720   1.431  -1.043
+ 7131TIP3    H227703  -1.771   1.335  -1.145
+ 7132TIP3   OH227704  -1.551   1.804  -0.707
+ 7132TIP3    H127705  -1.579   1.781  -0.617
+ 7132TIP3    H227706  -1.631   1.779  -0.757
+ 7133TIP3   OH227707  -2.141   1.690  -0.705
+ 7133TIP3    H127708  -2.114   1.610  -0.750
+ 7133TIP3    H227709  -2.141   1.658  -0.612
+ 7134TIP3   OH227710  -1.679   1.458  -0.585
+ 7134TIP3    H127711  -1.631   1.417  -0.658
+ 7134TIP3    H227712  -1.691   1.550  -0.609
+ 7135TIP3   OH227713  -2.322   2.632  -2.300
+ 7135TIP3    H127714  -2.227   2.656  -2.293
+ 7135TIP3    H227715  -2.320   2.560  -2.365
+ 7136TIP3   OH227716  -2.422   3.152  -1.833
+ 7136TIP3    H127717  -2.495   3.117  -1.887
+ 7136TIP3    H227718  -2.415   3.087  -1.762
+ 7137TIP3   OH227719  -2.384   2.954  -1.628
+ 7137TIP3    H127720  -2.427   2.875  -1.594
+ 7137TIP3    H227721  -2.347   2.992  -1.546
+ 7138TIP3   OH227722  -0.615   3.071  -1.336
+ 7138TIP3    H127723  -0.611   3.081  -1.240
+ 7138TIP3    H227724  -0.544   3.130  -1.365
+ 7139TIP3   OH227725  -0.639   3.028  -1.048
+ 7139TIP3    H127726  -0.692   2.953  -1.082
+ 7139TIP3    H227727  -0.587   2.983  -0.979
+ 7140TIP3   OH227728  -0.852   2.574  -0.611
+ 7140TIP3    H127729  -0.922   2.569  -0.546
+ 7140TIP3    H227730  -0.796   2.647  -0.576
+ 7141TIP3   OH227731  -0.696   2.462  -2.044
+ 7141TIP3    H127732  -0.607   2.497  -2.024
+ 7141TIP3    H227733  -0.706   2.399  -1.970
+ 7142TIP3   OH227734  -0.649   2.257  -1.842
+ 7142TIP3    H127735  -0.720   2.203  -1.803
+ 7142TIP3    H227736  -0.584   2.265  -1.770
+ 7143TIP3   OH227737  -0.679   2.505  -1.345
+ 7143TIP3    H127738  -0.617   2.457  -1.403
+ 7143TIP3    H227739  -0.672   2.596  -1.378
+ 7144TIP3   OH227740  -0.810   2.797  -1.122
+ 7144TIP3    H127741  -0.882   2.839  -1.073
+ 7144TIP3    H227742  -0.857   2.763  -1.202
+ 7145TIP3   OH227743  -0.631   2.202  -2.187
+ 7145TIP3    H127744  -0.680   2.231  -2.266
+ 7145TIP3    H227745  -0.642   2.279  -2.129
+ 7146TIP3   OH227746  -0.803   1.959  -2.362
+ 7146TIP3    H127747  -0.776   2.019  -2.433
+ 7146TIP3    H227748  -0.825   1.877  -2.410
+ 7147TIP3   OH227749  -0.863   2.072  -1.765
+ 7147TIP3    H127750  -0.867   1.976  -1.780
+ 7147TIP3    H227751  -0.898   2.081  -1.674
+ 7148TIP3   OH227752  -0.778   2.242  -0.819
+ 7148TIP3    H127753  -0.702   2.183  -0.819
+ 7148TIP3    H227754  -0.739   2.326  -0.849
+ 7149TIP3   OH227755  -0.854   1.693  -2.439
+ 7149TIP3    H127756  -0.791   1.645  -2.382
+ 7149TIP3    H227757  -0.932   1.636  -2.441
+ 7150TIP3   OH227758  -0.876   1.820  -1.946
+ 7150TIP3    H127759  -0.850   1.726  -1.940
+ 7150TIP3    H227760  -0.795   1.857  -1.987
+ 7151TIP3   OH227761  -0.848   1.880  -1.400
+ 7151TIP3    H127762  -0.751   1.888  -1.403
+ 7151TIP3    H227763  -0.861   1.881  -1.304
+ 7152TIP3   OH227764  -0.840   1.946  -1.127
+ 7152TIP3    H127765  -0.909   1.991  -1.076
+ 7152TIP3    H227766  -0.770   2.013  -1.131
+ 7153TIP3   OH227767  -2.408   1.790  -0.756
+ 7153TIP3    H127768  -2.315   1.765  -0.736
+ 7153TIP3    H227769  -2.455   1.709  -0.731
+ 7154TIP3   OH227770  -0.826   1.541  -1.948
+ 7154TIP3    H127771  -0.814   1.507  -1.857
+ 7154TIP3    H227772  -0.905   1.492  -1.976
+ 7155TIP3   OH227773  -2.291   1.625  -1.479
+ 7155TIP3    H127774  -2.241   1.543  -1.467
+ 7155TIP3    H227775  -2.230   1.692  -1.444
+ 7156TIP3   OH227776  -2.453   1.928  -1.376
+ 7156TIP3    H127777  -2.394   1.927  -1.453
+ 7156TIP3    H227778  -2.409   1.990  -1.317
+ 7157TIP3   OH227779  -0.631   1.590  -2.285
+ 7157TIP3    H127780  -0.598   1.510  -2.328
+ 7157TIP3    H227781  -0.549   1.641  -2.271
+ 7158TIP3   OH227782  -2.406   1.569  -1.955
+ 7158TIP3    H127783  -2.499   1.566  -1.982
+ 7158TIP3    H227784  -2.364   1.622  -2.026
+ 7159TIP3   OH227785  -0.938   3.078  -1.755
+ 7159TIP3    H127786  -0.889   3.063  -1.837
+ 7159TIP3    H227787  -0.875   3.128  -1.702
+ 7160TIP3   OH227788  -2.200   2.760  -0.679
+ 7160TIP3    H127789  -2.272   2.760  -0.744
+ 7160TIP3    H227790  -2.247   2.755  -0.595
+ 7161TIP3   OH227791  -1.917   2.857  -1.117
+ 7161TIP3    H127792  -1.948   2.944  -1.150
+ 7161TIP3    H227793  -1.821   2.868  -1.132
+ 7162TIP3   OH227794  -1.465   2.986  -0.812
+ 7162TIP3    H127795  -1.452   2.975  -0.717
+ 7162TIP3    H227796  -1.384   3.034  -0.838
+ 7163TIP3   OH227797  -1.238   3.134  -0.889
+ 7163TIP3    H127798  -1.168   3.070  -0.911
+ 7163TIP3    H227799  -1.208   3.166  -0.802
+ 7164TIP3   OH227800  -2.183   3.149  -1.080
+ 7164TIP3    H127801  -2.239   3.215  -1.126
+ 7164TIP3    H227802  -2.214   3.161  -0.989
+ 7165TIP3   OH227803  -1.932   3.128  -1.227
+ 7165TIP3    H127804  -2.015   3.153  -1.183
+ 7165TIP3    H227805  -1.923   3.199  -1.294
+ 7166TIP3   OH227806  -1.457   3.131  -1.269
+ 7166TIP3    H127807  -1.491   3.175  -1.349
+ 7166TIP3    H227808  -1.446   3.207  -1.209
+ 7167TIP3   OH227809  -1.223   3.002  -1.179
+ 7167TIP3    H127810  -1.308   3.039  -1.211
+ 7167TIP3    H227811  -1.167   3.081  -1.179
+ 7168TIP3   OH227812  -0.968   3.175  -1.159
+ 7168TIP3    H127813  -0.974   3.270  -1.179
+ 7168TIP3    H227814  -0.943   3.140  -1.246
+ 7169TIP3   OH227815  -2.226   3.030  -1.390
+ 7169TIP3    H127816  -2.229   2.981  -1.305
+ 7169TIP3    H227817  -2.144   2.993  -1.428
+ 7170TIP3   OH227818  -2.020   2.910  -1.541
+ 7170TIP3    H127819  -2.028   2.816  -1.518
+ 7170TIP3    H227820  -1.928   2.931  -1.515
+ 7171TIP3   OH227821  -1.749   2.953  -1.453
+ 7171TIP3    H127822  -1.723   2.862  -1.475
+ 7171TIP3    H227823  -1.737   2.954  -1.357
+ 7172TIP3   OH227824  -1.419   1.535  -1.519
+ 7172TIP3    H127825  -1.485   1.465  -1.506
+ 7172TIP3    H227826  -1.356   1.491  -1.579
+ 7173TIP3   OH227827  -0.924   1.362  -1.462
+ 7173TIP3    H127828  -0.838   1.370  -1.505
+ 7173TIP3    H227829  -0.986   1.362  -1.537
+ 7174TIP3   OH227830  -0.713   1.454  -1.688
+ 7174TIP3    H127831  -0.639   1.411  -1.735
+ 7174TIP3    H227832  -0.679   1.545  -1.676
+ 7175TIP3   OH227833  -2.167   1.417  -1.730
+ 7175TIP3    H127834  -2.253   1.405  -1.774
+ 7175TIP3    H227835  -2.129   1.328  -1.737
+ 7176TIP3   OH227836  -2.294   1.365  -2.181
+ 7176TIP3    H127837  -2.244   1.431  -2.232
+ 7176TIP3    H227838  -2.335   1.418  -2.111
+ 7177TIP3   OH227839  -1.730   1.393  -1.778
+ 7177TIP3    H127840  -1.637   1.420  -1.790
+ 7177TIP3    H227841  -1.734   1.380  -1.683
+ 7178TIP3   OH227842  -1.174   1.404  -1.639
+ 7178TIP3    H127843  -1.138   1.389  -1.727
+ 7178TIP3    H227844  -1.207   1.316  -1.615
+ 7179TIP3   OH227845  -1.058   1.401  -2.044
+ 7179TIP3    H127846  -1.140   1.453  -2.053
+ 7179TIP3    H227847  -1.093   1.314  -2.016
+ 7180TIP3   OH227848  -2.281   2.958  -2.059
+ 7180TIP3    H127849  -2.340   2.950  -2.136
+ 7180TIP3    H227850  -2.276   3.055  -2.053
+ 7181TIP3   OH227851  -2.123   1.548  -2.336
+ 7181TIP3    H127852  -2.061   1.493  -2.387
+ 7181TIP3    H227853  -2.065   1.582  -2.265
+ 7182TIP3   OH227854  -1.608   1.561  -2.078
+ 7182TIP3    H127855  -1.581   1.505  -2.003
+ 7182TIP3    H227856  -1.593   1.649  -2.039
+ 7183TIP3   OH227857  -1.401   3.109  -2.252
+ 7183TIP3    H127858  -1.307   3.126  -2.262
+ 7183TIP3    H227859  -1.423   3.056  -2.330
+ 7184TIP3   OH227860  -0.755   3.047  -1.994
+ 7184TIP3    H127861  -0.781   2.964  -2.038
+ 7184TIP3    H227862  -0.769   3.112  -2.065
+ 7185TIP3   OH227863  -2.139   3.046  -2.383
+ 7185TIP3    H127864  -2.153   3.086  -2.296
+ 7185TIP3    H227865  -2.053   3.002  -2.372
+ 7186TIP3   OH227866  -0.809   2.923  -0.753
+ 7186TIP3    H127867  -0.884   2.902  -0.812
+ 7186TIP3    H227868  -0.827   3.017  -0.733
+ 7187TIP3   OH227869   0.497   2.233  -1.443
+ 7187TIP3    H127870   0.489   2.176  -1.365
+ 7187TIP3    H227871   0.474   2.173  -1.515
+ 7188TIP3   OH227872  -0.266   2.168  -1.250
+ 7188TIP3    H127873  -0.247   2.105  -1.180
+ 7188TIP3    H227874  -0.185   2.222  -1.249
+ 7189TIP3   OH227875   0.878   2.518  -1.603
+ 7189TIP3    H127876   0.829   2.442  -1.570
+ 7189TIP3    H227877   0.894   2.569  -1.522
+ 7190TIP3   OH227878  -0.167   2.673  -1.445
+ 7190TIP3    H127879  -0.212   2.586  -1.452
+ 7190TIP3    H227880  -0.099   2.649  -1.380
+ 7191TIP3   OH227881  -0.497   1.997  -1.878
+ 7191TIP3    H127882  -0.536   2.085  -1.872
+ 7191TIP3    H227883  -0.567   1.948  -1.924
+ 7192TIP3   OH227884  -0.402   2.227  -1.676
+ 7192TIP3    H127885  -0.383   2.144  -1.629
+ 7192TIP3    H227886  -0.324   2.234  -1.733
+ 7193TIP3   OH227887   0.570   3.045  -1.543
+ 7193TIP3    H127888   0.627   2.974  -1.580
+ 7193TIP3    H227889   0.548   3.006  -1.457
+ 7194TIP3   OH227890   0.340   2.486  -1.377
+ 7194TIP3    H127891   0.372   2.420  -1.440
+ 7194TIP3    H227892   0.423   2.500  -1.327
+ 7195TIP3   OH227893   1.213   1.642  -1.314
+ 7195TIP3    H127894   1.235   1.705  -1.244
+ 7195TIP3    H227895   1.274   1.673  -1.384
+ 7196TIP3   OH227896   0.658   1.911  -1.335
+ 7196TIP3    H127897   0.693   1.820  -1.338
+ 7196TIP3    H227898   0.667   1.939  -1.427
+ 7197TIP3   OH227899  -0.049   1.698  -1.615
+ 7197TIP3    H127900  -0.036   1.792  -1.632
+ 7197TIP3    H227901  -0.079   1.665  -1.701
+ 7198TIP3   OH227902   0.757   1.739  -1.789
+ 7198TIP3    H127903   0.813   1.700  -1.719
+ 7198TIP3    H227904   0.824   1.783  -1.843
+ 7199TIP3   OH227905  -0.326   1.970  -1.547
+ 7199TIP3    H127906  -0.257   1.920  -1.503
+ 7199TIP3    H227907  -0.325   1.930  -1.636
+ 7200TIP3   OH227908   0.173   2.128  -1.611
+ 7200TIP3    H127909   0.238   2.070  -1.567
+ 7200TIP3    H227910   0.126   2.063  -1.666
+ 7201TIP3   OH227911   1.289   1.784  -1.043
+ 7201TIP3    H127912   1.228   1.851  -1.078
+ 7201TIP3    H227913   1.242   1.756  -0.963
+ 7202TIP3   OH227914   0.610   2.590  -1.859
+ 7202TIP3    H127915   0.574   2.518  -1.911
+ 7202TIP3    H227916   0.538   2.655  -1.852
+ 7203TIP3   OH227917   0.147   2.385  -1.185
+ 7203TIP3    H127918   0.070   2.444  -1.173
+ 7203TIP3    H227919   0.210   2.442  -1.233
+ 7204TIP3   OH227920   0.925   1.658  -1.574
+ 7204TIP3    H127921   0.919   1.583  -1.515
+ 7204TIP3    H227922   0.985   1.718  -1.526
+ 7205TIP3   OH227923  -0.065   2.581  -1.148
+ 7205TIP3    H127924  -0.063   2.678  -1.142
+ 7205TIP3    H227925  -0.140   2.559  -1.089
+ 7206TIP3   OH227926  -0.425   2.560  -2.022
+ 7206TIP3    H127927  -0.443   2.599  -2.109
+ 7206TIP3    H227928  -0.406   2.638  -1.967
+ 7207TIP3   OH227929   0.920   2.691  -1.348
+ 7207TIP3    H127930   0.823   2.701  -1.350
+ 7207TIP3    H227931   0.948   2.775  -1.390
+ 7208TIP3   OH227932   0.946   1.592  -1.200
+ 7208TIP3    H127933   0.869   1.621  -1.252
+ 7208TIP3    H227934   1.021   1.607  -1.260
+ 7209TIP3   OH227935   0.748   2.884  -1.695
+ 7209TIP3    H127936   0.791   2.800  -1.723
+ 7209TIP3    H227937   0.819   2.949  -1.710
+ 7210TIP3   OH227938   0.893   2.667  -1.839
+ 7210TIP3    H127939   0.839   2.615  -1.901
+ 7210TIP3    H227940   0.889   2.607  -1.761
+ 7211TIP3   OH227941   1.047   2.553  -0.985
+ 7211TIP3    H127942   1.040   2.485  -1.055
+ 7211TIP3    H227943   1.062   2.634  -1.037
+ 7212TIP3   OH227944   0.511   2.082  -2.309
+ 7212TIP3    H127945   0.569   2.090  -2.232
+ 7212TIP3    H227946   0.562   2.022  -2.365
+ 7213TIP3   OH227947   1.228   2.168  -1.190
+ 7213TIP3    H127948   1.155   2.233  -1.181
+ 7213TIP3    H227949   1.274   2.204  -1.269
+ 7214TIP3   OH227950   0.822   2.081  -1.015
+ 7214TIP3    H127951   0.817   2.160  -0.958
+ 7214TIP3    H227952   0.754   2.103  -1.080
+ 7215TIP3   OH227953  -0.010   2.325  -1.735
+ 7215TIP3    H127954  -0.046   2.274  -1.811
+ 7215TIP3    H227955   0.051   2.261  -1.694
+ 7216TIP3   OH227956   0.121   2.672  -1.501
+ 7216TIP3    H127957   0.146   2.595  -1.555
+ 7216TIP3    H227958   0.191   2.663  -1.433
+ 7217TIP3   OH227959   0.024   2.210  -1.377
+ 7217TIP3    H127960   0.089   2.186  -1.446
+ 7217TIP3    H227961   0.081   2.253  -1.310
+ 7218TIP3   OH227962   0.634   2.755  -1.324
+ 7218TIP3    H127963   0.643   2.817  -1.250
+ 7218TIP3    H227964   0.616   2.670  -1.279
+ 7219TIP3   OH227965   0.131   2.634  -0.899
+ 7219TIP3    H127966   0.081   2.700  -0.846
+ 7219TIP3    H227967   0.065   2.608  -0.965
+ 7220TIP3   OH227968  -0.188   2.310  -0.999
+ 7220TIP3    H127969  -0.166   2.334  -0.907
+ 7220TIP3    H227970  -0.275   2.270  -0.991
+ 7221TIP3   OH227971   0.458   2.848  -1.803
+ 7221TIP3    H127972   0.523   2.867  -1.734
+ 7221TIP3    H227973   0.430   2.935  -1.834
+ 7222TIP3   OH227974  -0.060   2.849  -0.815
+ 7222TIP3    H127975  -0.073   2.853  -0.911
+ 7222TIP3    H227976  -0.149   2.828  -0.780
+ 7223TIP3   OH227977   1.066   1.355  -2.208
+ 7223TIP3    H127978   0.977   1.371  -2.169
+ 7223TIP3    H227979   1.102   1.445  -2.212
+ 7224TIP3   OH227980  -0.126   2.197  -1.973
+ 7224TIP3    H127981  -0.141   2.268  -2.037
+ 7224TIP3    H227982  -0.186   2.128  -2.004
+ 7225TIP3   OH227983   1.204   2.775  -2.361
+ 7225TIP3    H127984   1.221   2.867  -2.334
+ 7225TIP3    H227985   1.290   2.733  -2.340
+ 7226TIP3   OH227986  -0.515   2.458  -1.104
+ 7226TIP3    H127987  -0.560   2.463  -1.191
+ 7226TIP3    H227988  -0.502   2.363  -1.096
+ 7227TIP3   OH227989  -0.512   2.753  -1.413
+ 7227TIP3    H127990  -0.420   2.730  -1.400
+ 7227TIP3    H227991  -0.526   2.817  -1.341
+ 7228TIP3   OH227992   1.328   2.815  -0.835
+ 7228TIP3    H127993   1.318   2.720  -0.852
+ 7228TIP3    H227994   1.237   2.838  -0.805
+ 7229TIP3   OH227995   0.392   2.741  -0.959
+ 7229TIP3    H127996   0.400   2.822  -0.905
+ 7229TIP3    H227997   0.304   2.708  -0.933
+ 7230TIP3   OH227998   0.417   3.117  -1.954
+ 7230TIP3    H127999   0.422   3.123  -2.052
+ 7230TIP3    H228000   0.426   3.210  -1.927
+ 7231TIP3   OH228001   0.754   3.063  -2.239
+ 7231TIP3    H128002   0.809   2.996  -2.284
+ 7231TIP3    H228003   0.748   3.024  -2.150
+ 7232TIP3   OH228004   0.693   3.007  -1.957
+ 7232TIP3    H128005   0.597   3.013  -1.946
+ 7232TIP3    H228006   0.713   2.930  -1.900
+ 7233TIP3   OH228007   1.036   1.973  -0.812
+ 7233TIP3    H128008   0.970   2.009  -0.872
+ 7233TIP3    H228009   1.034   1.878  -0.834
+ 7234TIP3   OH228010  -0.294   2.613  -0.976
+ 7234TIP3    H128011  -0.264   2.562  -0.899
+ 7234TIP3    H228012  -0.366   2.557  -1.011
+ 7235TIP3   OH228013   0.035   1.435  -1.384
+ 7235TIP3    H128014  -0.049   1.396  -1.410
+ 7235TIP3    H228015   0.010   1.514  -1.338
+ 7236TIP3   OH228016   0.858   2.254  -2.342
+ 7236TIP3    H128017   0.843   2.255  -2.438
+ 7236TIP3    H228018   0.940   2.305  -2.333
+ 7237TIP3   OH228019   0.453   1.668  -2.318
+ 7237TIP3    H128020   0.396   1.674  -2.240
+ 7237TIP3    H228021   0.398   1.612  -2.375
+ 7238TIP3   OH228022   0.004   1.954  -1.775
+ 7238TIP3    H128023  -0.090   1.936  -1.790
+ 7238TIP3    H228024   0.042   1.927  -1.861
+ 7239TIP3   OH228025   0.623   1.958  -1.643
+ 7239TIP3    H128026   0.630   2.032  -1.709
+ 7239TIP3    H228027   0.658   1.885  -1.697
+ 7240TIP3   OH228028   0.096   1.729  -2.418
+ 7240TIP3    H128029   0.060   1.683  -2.340
+ 7240TIP3    H228030   0.020   1.733  -2.477
+ 7241TIP3   OH228031  -0.570   1.700  -1.707
+ 7241TIP3    H128032  -0.504   1.701  -1.635
+ 7241TIP3    H228033  -0.520   1.664  -1.782
+ 7242TIP3   OH228034  -0.414   1.747  -2.146
+ 7242TIP3    H128035  -0.356   1.796  -2.208
+ 7242TIP3    H228036  -0.482   1.814  -2.127
+ 7243TIP3   OH228037   0.553   2.112  -1.169
+ 7243TIP3    H128038   0.601   2.048  -1.225
+ 7243TIP3    H228039   0.521   2.053  -1.098
+ 7244TIP3   OH228040   0.262   1.702  -1.675
+ 7244TIP3    H128041   0.168   1.705  -1.651
+ 7244TIP3    H228042   0.304   1.710  -1.588
+ 7245TIP3   OH228043  -0.263   1.834  -1.807
+ 7245TIP3    H128044  -0.346   1.860  -1.851
+ 7245TIP3    H228045  -0.236   1.754  -1.856
+ 7246TIP3   OH228046   0.109   1.866  -2.035
+ 7246TIP3    H128047   0.205   1.880  -2.030
+ 7246TIP3    H228048   0.081   1.923  -2.109
+ 7247TIP3   OH228049   0.690   1.620  -1.340
+ 7247TIP3    H128050   0.618   1.625  -1.276
+ 7247TIP3    H228051   0.640   1.595  -1.421
+ 7248TIP3   OH228052  -0.052   1.988  -2.265
+ 7248TIP3    H128053  -0.107   1.952  -2.336
+ 7248TIP3    H228054   0.031   2.006  -2.311
+ 7249TIP3   OH228055   1.019   3.201  -0.703
+ 7249TIP3    H128056   1.043   3.246  -0.786
+ 7249TIP3    H228057   1.090   3.231  -0.644
+ 7250TIP3   OH228058  -0.183   2.455  -0.739
+ 7250TIP3    H128059  -0.111   2.469  -0.676
+ 7250TIP3    H228060  -0.259   2.463  -0.680
+ 7251TIP3   OH228061   0.370   1.936  -1.468
+ 7251TIP3    H128062   0.449   1.919  -1.521
+ 7251TIP3    H228063   0.388   1.887  -1.386
+ 7252TIP3   OH228064  -0.098   1.600  -1.875
+ 7252TIP3    H128065  -0.141   1.516  -1.853
+ 7252TIP3    H228066  -0.013   1.570  -1.911
+ 7253TIP3   OH228067   0.294   2.448  -2.065
+ 7253TIP3    H128068   0.240   2.380  -2.109
+ 7253TIP3    H228069   0.306   2.413  -1.976
+ 7254TIP3   OH228070   1.015   2.363  -1.200
+ 7254TIP3    H128071   1.065   2.416  -1.266
+ 7254TIP3    H228072   0.930   2.349  -1.246
+ 7255TIP3   OH228073   0.722   1.732  -2.312
+ 7255TIP3    H128074   0.624   1.726  -2.311
+ 7255TIP3    H228075   0.739   1.805  -2.248
+ 7256TIP3   OH228076   0.448   2.444  -0.936
+ 7256TIP3    H128077   0.425   2.418  -0.846
+ 7256TIP3    H228078   0.422   2.537  -0.938
+ 7257TIP3   OH228079   0.769   1.928  -2.124
+ 7257TIP3    H128080   0.831   1.914  -2.050
+ 7257TIP3    H228081   0.769   2.025  -2.126
+ 7258TIP3   OH228082  -0.188   2.375  -1.486
+ 7258TIP3    H128083  -0.132   2.372  -1.565
+ 7258TIP3    H228084  -0.161   2.293  -1.443
+ 7259TIP3   OH228085   0.533   2.592  -2.193
+ 7259TIP3    H128086   0.508   2.667  -2.137
+ 7259TIP3    H228087   0.485   2.519  -2.151
+ 7260TIP3   OH228088  -0.458   2.188  -0.928
+ 7260TIP3    H128089  -0.459   2.113  -0.866
+ 7260TIP3    H228090  -0.516   2.157  -0.999
+ 7261TIP3   OH228091   0.250   2.147  -0.754
+ 7261TIP3    H128092   0.224   2.133  -0.846
+ 7261TIP3    H228093   0.346   2.143  -0.759
+ 7262TIP3   OH228094   0.683   2.711  -0.997
+ 7262TIP3    H128095   0.586   2.717  -1.002
+ 7262TIP3    H228096   0.699   2.733  -0.904
+ 7263TIP3   OH228097   1.238   1.911  -2.119
+ 7263TIP3    H128098   1.180   1.895  -2.196
+ 7263TIP3    H228099   1.250   2.007  -2.130
+ 7264TIP3   OH228100   1.281   2.517  -0.839
+ 7264TIP3    H128101   1.187   2.537  -0.858
+ 7264TIP3    H228102   1.315   2.499  -0.928
+ 7265TIP3   OH228103   1.057   2.772  -2.108
+ 7265TIP3    H128104   1.031   2.695  -2.055
+ 7265TIP3    H228105   1.111   2.732  -2.178
+ 7266TIP3   OH228106   0.780   2.305  -1.367
+ 7266TIP3    H128107   0.688   2.291  -1.397
+ 7266TIP3    H228108   0.825   2.234  -1.418
+ 7267TIP3   OH228109  -0.356   2.194  -2.305
+ 7267TIP3    H128110  -0.297   2.262  -2.266
+ 7267TIP3    H228111  -0.443   2.225  -2.274
+ 7268TIP3   OH228112   0.199   2.527  -1.754
+ 7268TIP3    H128113   0.174   2.589  -1.822
+ 7268TIP3    H228114   0.141   2.450  -1.768
+ 7269TIP3   OH228115   0.241   2.907  -1.175
+ 7269TIP3    H128116   0.295   2.983  -1.204
+ 7269TIP3    H228117   0.305   2.856  -1.123
+ 7270TIP3   OH228118   0.585   2.486  -1.215
+ 7270TIP3    H128119   0.557   2.455  -1.127
+ 7270TIP3    H228120   0.657   2.424  -1.236
+ 7271TIP3   OH228121   0.812   2.606  -2.310
+ 7271TIP3    H128122   0.847   2.559  -2.231
+ 7271TIP3    H228123   0.717   2.598  -2.290
+ 7272TIP3   OH228124   0.879   2.942  -0.972
+ 7272TIP3    H128125   0.805   2.895  -1.014
+ 7272TIP3    H228126   0.890   3.020  -1.029
+ 7273TIP3   OH228127   1.276   3.042  -2.266
+ 7273TIP3    H128128   1.347   3.105  -2.288
+ 7273TIP3    H228129   1.200   3.102  -2.269
+ 7274TIP3   OH228130   0.888   2.462  -2.068
+ 7274TIP3    H128131   0.850   2.386  -2.021
+ 7274TIP3    H228132   0.983   2.454  -2.049
+ 7275TIP3   OH228133  -0.351   2.850  -1.167
+ 7275TIP3    H128134  -0.330   2.760  -1.139
+ 7275TIP3    H228135  -0.343   2.897  -1.083
+ 7276TIP3   OH228136   0.228   2.723  -2.458
+ 7276TIP3    H128137   0.252   2.646  -2.513
+ 7276TIP3    H228138   0.190   2.679  -2.380
+ 7277TIP3   OH228139   0.123   2.662  -2.179
+ 7277TIP3    H128140   0.178   2.606  -2.122
+ 7277TIP3    H228141   0.138   2.752  -2.144
+ 7278TIP3   OH228142  -0.211   2.417  -2.151
+ 7278TIP3    H128143  -0.279   2.459  -2.096
+ 7278TIP3    H228144  -0.162   2.496  -2.182
+ 7279TIP3   OH228145   0.627   1.609  -2.026
+ 7279TIP3    H128146   0.638   1.667  -2.103
+ 7279TIP3    H228147   0.671   1.660  -1.957
+ 7280TIP3   OH228148   0.406   2.847  -2.123
+ 7280TIP3    H128149   0.320   2.890  -2.118
+ 7280TIP3    H228150   0.440   2.877  -2.209
+ 7281TIP3   OH228151   0.391   1.824  -1.925
+ 7281TIP3    H128152   0.465   1.885  -1.910
+ 7281TIP3    H228153   0.354   1.813  -1.835
+ 7282TIP3   OH228154   0.439   1.901  -1.013
+ 7282TIP3    H128155   0.405   1.930  -0.928
+ 7282TIP3    H228156   0.462   1.809  -0.996
+ 7283TIP3   OH228157   0.429   1.512  -1.832
+ 7283TIP3    H128158   0.399   1.587  -1.778
+ 7283TIP3    H228159   0.498   1.553  -1.888
+ 7284TIP3   OH228160   0.121   2.943  -2.106
+ 7284TIP3    H128161   0.113   3.012  -2.175
+ 7284TIP3    H228162   0.114   2.997  -2.027
+ 7285TIP3   OH228163   0.001   1.612  -2.186
+ 7285TIP3    H128164   0.002   1.689  -2.126
+ 7285TIP3    H228165   0.082   1.566  -2.158
+ 7286TIP3   OH228166   1.026   1.716  -0.936
+ 7286TIP3    H128167   0.931   1.702  -0.942
+ 7286TIP3    H228168   1.053   1.678  -1.021
+ 7287TIP3   OH228169   0.869   2.083  -1.512
+ 7287TIP3    H128170   0.801   2.042  -1.568
+ 7287TIP3    H228171   0.926   2.007  -1.487
+ 7288TIP3   OH228172  -0.155   2.693  -2.272
+ 7288TIP3    H128173  -0.082   2.747  -2.237
+ 7288TIP3    H228174  -0.106   2.643  -2.341
+ 7289TIP3   OH228175  -0.342   1.916  -2.368
+ 7289TIP3    H128176  -0.332   2.009  -2.341
+ 7289TIP3    H228177  -0.432   1.915  -2.404
+ 7290TIP3   OH228178   0.982   2.973  -1.385
+ 7290TIP3    H128179   0.970   3.056  -1.434
+ 7290TIP3    H228180   1.074   2.981  -1.358
+ 7291TIP3   OH228181  -0.287   1.385  -1.474
+ 7291TIP3    H128182  -0.275   1.389  -1.570
+ 7291TIP3    H228183  -0.299   1.291  -1.456
+ 7292TIP3   OH228184  -0.319   2.804  -1.843
+ 7292TIP3    H128185  -0.405   2.836  -1.812
+ 7292TIP3    H228186  -0.313   2.850  -1.929
+ 7293TIP3   OH228187  -0.425   3.057  -0.745
+ 7293TIP3    H128188  -0.368   3.030  -0.670
+ 7293TIP3    H228189  -0.466   2.972  -0.769
+ 7294TIP3   OH228190   0.043   2.967  -0.565
+ 7294TIP3    H128191   0.111   2.903  -0.540
+ 7294TIP3    H228192   0.022   2.938  -0.656
+ 7295TIP3   OH228193   0.450   2.888  -2.410
+ 7295TIP3    H128194   0.375   2.827  -2.423
+ 7295TIP3    H228195   0.522   2.835  -2.448
+ 7296TIP3   OH228196   0.688   2.792  -0.704
+ 7296TIP3    H128197   0.655   2.708  -0.668
+ 7296TIP3    H228198   0.760   2.814  -0.642
+ 7297TIP3   OH228199   0.910   2.878  -2.403
+ 7297TIP3    H128200   0.925   2.799  -2.349
+ 7297TIP3    H228201   0.991   2.881  -2.457
+ 7298TIP3   OH228202  -0.469   2.404  -0.629
+ 7298TIP3    H128203  -0.428   2.331  -0.676
+ 7298TIP3    H228204  -0.523   2.447  -0.698
+ 7299TIP3   OH228205  -0.009   2.465  -2.427
+ 7299TIP3    H128206   0.009   2.406  -2.352
+ 7299TIP3    H228207   0.077   2.462  -2.473
+ 7300TIP3   OH228208   0.237   2.430  -0.695
+ 7300TIP3    H128209   0.190   2.454  -0.776
+ 7300TIP3    H228210   0.235   2.332  -0.696
+ 7301TIP3   OH228211   0.522   2.589  -2.470
+ 7301TIP3    H128212   0.517   2.589  -2.372
+ 7301TIP3    H228213   0.504   2.495  -2.489
+ 7302TIP3   OH228214   0.769   2.408  -0.962
+ 7302TIP3    H128215   0.848   2.459  -0.986
+ 7302TIP3    H228216   0.701   2.477  -0.965
+ 7303TIP3   OH228217   0.097   2.275  -2.200
+ 7303TIP3    H128218   0.043   2.218  -2.142
+ 7303TIP3    H228219   0.134   2.209  -2.262
+ 7304TIP3   OH228220   0.206   2.080  -2.365
+ 7304TIP3    H128221   0.199   2.064  -2.460
+ 7304TIP3    H228222   0.302   2.078  -2.351
+ 7305TIP3   OH228223   0.539   2.303  -0.639
+ 7305TIP3    H128224   0.635   2.301  -0.651
+ 7305TIP3    H228225   0.526   2.237  -0.571
+ 7306TIP3   OH228226   1.140   2.325  -2.435
+ 7306TIP3    H128227   1.123   2.282  -2.520
+ 7306TIP3    H228228   1.129   2.419  -2.459
+ 7307TIP3   OH228229   0.265   2.157  -1.054
+ 7307TIP3    H128230   0.346   2.150  -1.107
+ 7307TIP3    H228231   0.230   2.243  -1.087
+ 7308TIP3   OH228232   0.845   2.253  -0.753
+ 7308TIP3    H128233   0.809   2.316  -0.819
+ 7308TIP3    H228234   0.936   2.243  -0.788
+ 7309TIP3   OH228235   0.173   3.190  -2.257
+ 7309TIP3    H128236   0.268   3.206  -2.249
+ 7309TIP3    H228237   0.153   3.239  -2.338
+ 7310TIP3   OH228238  -0.435   2.634  -2.301
+ 7310TIP3    H128239  -0.340   2.653  -2.292
+ 7310TIP3    H228240  -0.435   2.558  -2.362
+ 7311TIP3   OH228241  -0.534   3.155  -1.834
+ 7311TIP3    H128242  -0.607   3.123  -1.890
+ 7311TIP3    H228243  -0.531   3.086  -1.765
+ 7312TIP3   OH228244  -0.501   2.954  -1.635
+ 7312TIP3    H128245  -0.539   2.871  -1.602
+ 7312TIP3    H228246  -0.474   2.993  -1.551
+ 7313TIP3   OH228247   1.256   3.090  -1.335
+ 7313TIP3    H128248   1.270   3.082  -1.240
+ 7313TIP3    H228249   1.345   3.112  -1.366
+ 7314TIP3   OH228250   1.245   3.029  -1.047
+ 7314TIP3    H128251   1.194   2.953  -1.081
+ 7314TIP3    H228252   1.301   2.983  -0.982
+ 7315TIP3   OH228253   1.044   2.572  -0.618
+ 7315TIP3    H128254   0.957   2.577  -0.576
+ 7315TIP3    H228255   1.090   2.651  -0.585
+ 7316TIP3   OH228256   1.183   2.464  -2.045
+ 7316TIP3    H128257   1.274   2.494  -2.026
+ 7316TIP3    H228258   1.172   2.399  -1.972
+ 7317TIP3   OH228259   1.231   2.260  -1.849
+ 7317TIP3    H128260   1.163   2.202  -1.809
+ 7317TIP3    H228261   1.297   2.268  -1.778
+ 7318TIP3   OH228262   1.204   2.509  -1.346
+ 7318TIP3    H128263   1.264   2.457  -1.403
+ 7318TIP3    H228264   1.217   2.599  -1.380
+ 7319TIP3   OH228265   1.076   2.803  -1.126
+ 7319TIP3    H128266   1.003   2.838  -1.073
+ 7319TIP3    H228267   1.030   2.762  -1.202
+ 7320TIP3   OH228268   1.262   2.205  -2.190
+ 7320TIP3    H128269   1.205   2.231  -2.265
+ 7320TIP3    H228270   1.244   2.276  -2.127
+ 7321TIP3   OH228271   1.095   1.951  -2.363
+ 7321TIP3    H128272   1.106   2.021  -2.428
+ 7321TIP3    H228273   1.061   1.878  -2.417
+ 7322TIP3   OH228274   1.040   2.071  -1.767
+ 7322TIP3    H128275   0.997   1.992  -1.803
+ 7322TIP3    H228276   0.967   2.112  -1.717
+ 7323TIP3   OH228277  -0.484   2.293  -1.395
+ 7323TIP3    H128278  -0.457   2.294  -1.488
+ 7323TIP3    H228279  -0.400   2.268  -1.352
+ 7324TIP3   OH228280   1.103   2.264  -0.850
+ 7324TIP3    H128281   1.168   2.193  -0.840
+ 7324TIP3    H228282   1.159   2.342  -0.861
+ 7325TIP3   OH228283   1.283   2.074  -0.747
+ 7325TIP3    H128284   1.196   2.030  -0.742
+ 7325TIP3    H228285   1.344   2.001  -0.727
+ 7326TIP3   OH228286   1.025   1.673  -2.454
+ 7326TIP3    H128287   1.090   1.645  -2.386
+ 7326TIP3    H228288   0.941   1.653  -2.412
+ 7327TIP3   OH228289   0.994   1.821  -1.947
+ 7327TIP3    H128290   1.029   1.730  -1.941
+ 7327TIP3    H228291   1.070   1.867  -1.988
+ 7328TIP3   OH228292   1.032   1.875  -1.409
+ 7328TIP3    H128293   1.128   1.891  -1.415
+ 7328TIP3    H228294   1.020   1.890  -1.313
+ 7329TIP3   OH228295   1.043   1.948  -1.139
+ 7329TIP3    H128296   0.963   1.987  -1.097
+ 7329TIP3    H228297   1.100   2.027  -1.148
+ 7330TIP3   OH228298   1.060   1.539  -1.939
+ 7330TIP3    H128299   1.060   1.503  -1.848
+ 7330TIP3    H228300   0.981   1.493  -1.975
+ 7331TIP3   OH228301  -0.394   1.664  -1.464
+ 7331TIP3    H128302  -0.365   1.572  -1.452
+ 7331TIP3    H228303  -0.323   1.712  -1.421
+ 7332TIP3   OH228304  -0.566   1.935  -1.370
+ 7332TIP3    H128305  -0.505   1.914  -1.442
+ 7332TIP3    H228306  -0.522   2.012  -1.331
+ 7333TIP3   OH228307   1.251   1.592  -2.289
+ 7333TIP3    H128308   1.283   1.510  -2.330
+ 7333TIP3    H228309   1.334   1.641  -2.272
+ 7334TIP3   OH228310  -0.517   1.561  -1.963
+ 7334TIP3    H128311  -0.612   1.567  -1.982
+ 7334TIP3    H228312  -0.477   1.622  -2.028
+ 7335TIP3   OH228313   0.942   3.097  -1.755
+ 7335TIP3    H128314   0.987   3.064  -1.834
+ 7335TIP3    H228315   1.016   3.124  -1.700
+ 7336TIP3   OH228316  -0.309   2.766  -0.684
+ 7336TIP3    H128317  -0.383   2.760  -0.746
+ 7336TIP3    H228318  -0.354   2.743  -0.599
+ 7337TIP3   OH228319  -0.030   2.856  -1.119
+ 7337TIP3    H128320  -0.062   2.944  -1.145
+ 7337TIP3    H228321   0.066   2.868  -1.137
+ 7338TIP3   OH228322   0.419   2.991  -0.812
+ 7338TIP3    H128323   0.433   2.972  -0.718
+ 7338TIP3    H228324   0.503   3.034  -0.837
+ 7339TIP3   OH228325   0.649   3.135  -0.890
+ 7339TIP3    H128326   0.717   3.071  -0.911
+ 7339TIP3    H228327   0.679   3.166  -0.802
+ 7340TIP3   OH228328   1.175   1.424  -0.989
+ 7340TIP3    H128329   1.084   1.452  -0.973
+ 7340TIP3    H228330   1.171   1.332  -0.960
+ 7341TIP3   OH228331  -0.296   3.154  -1.085
+ 7341TIP3    H128332  -0.357   3.219  -1.124
+ 7341TIP3    H228333  -0.324   3.157  -0.993
+ 7342TIP3   OH228334  -0.053   3.128  -1.238
+ 7342TIP3    H128335  -0.131   3.150  -1.184
+ 7342TIP3    H228336  -0.042   3.208  -1.292
+ 7343TIP3   OH228337   0.427   3.135  -1.270
+ 7343TIP3    H128338   0.403   3.191  -1.345
+ 7343TIP3    H228339   0.440   3.203  -1.200
+ 7344TIP3   OH228340   0.664   3.004  -1.178
+ 7344TIP3    H128341   0.579   3.039  -1.210
+ 7344TIP3    H228342   0.720   3.082  -1.178
+ 7345TIP3   OH228343   0.915   3.176  -1.158
+ 7345TIP3    H128344   0.913   3.271  -1.181
+ 7345TIP3    H228345   0.945   3.138  -1.242
+ 7346TIP3   OH228346  -0.312   3.015  -1.395
+ 7346TIP3    H128347  -0.337   2.979  -1.307
+ 7346TIP3    H228348  -0.221   2.984  -1.398
+ 7347TIP3   OH228349   0.492   1.547  -1.528
+ 7347TIP3    H128350   0.413   1.498  -1.502
+ 7347TIP3    H228351   0.519   1.501  -1.609
+ 7348TIP3   OH228352   1.155   1.440  -1.663
+ 7348TIP3    H128353   1.226   1.402  -1.717
+ 7348TIP3    H228354   1.184   1.532  -1.653
+ 7349TIP3   OH228355  -0.267   1.379  -1.773
+ 7349TIP3    H128356  -0.358   1.372  -1.809
+ 7349TIP3    H228357  -0.242   1.287  -1.764
+ 7350TIP3   OH228358  -0.407   1.362  -2.178
+ 7350TIP3    H128359  -0.355   1.427  -2.228
+ 7350TIP3    H228360  -0.445   1.416  -2.108
+ 7351TIP3   OH228361   0.153   1.383  -1.769
+ 7351TIP3    H128362   0.243   1.416  -1.783
+ 7351TIP3    H228363   0.149   1.372  -1.673
+ 7352TIP3   OH228364   0.822   1.401  -2.060
+ 7352TIP3    H128365   0.742   1.457  -2.059
+ 7352TIP3    H228366   0.790   1.320  -2.015
+ 7353TIP3   OH228367  -0.389   2.959  -2.069
+ 7353TIP3    H128368  -0.456   2.947  -2.139
+ 7353TIP3    H228369  -0.395   3.055  -2.056
+ 7354TIP3   OH228370  -0.238   1.545  -2.335
+ 7354TIP3    H128371  -0.176   1.491  -2.388
+ 7354TIP3    H228372  -0.178   1.581  -2.267
+ 7355TIP3   OH228373   0.268   1.572  -2.071
+ 7355TIP3    H128374   0.307   1.515  -2.004
+ 7355TIP3    H228375   0.291   1.659  -2.037
+ 7356TIP3   OH228376   0.479   3.145  -2.251
+ 7356TIP3    H128377   0.576   3.142  -2.257
+ 7356TIP3    H228378   0.455   3.079  -2.318
+ 7357TIP3   OH228379   1.124   3.046  -1.993
+ 7357TIP3    H128380   1.104   2.959  -2.034
+ 7357TIP3    H228381   1.128   3.102  -2.072
+ 7358TIP3   OH228382  -0.248   3.053  -2.385
+ 7358TIP3    H128383  -0.273   3.083  -2.296
+ 7358TIP3    H228384  -0.169   3.000  -2.369
+ 7359TIP3   OH228385   1.077   2.924  -0.755
+ 7359TIP3    H128386   1.003   2.903  -0.815
+ 7359TIP3    H228387   1.059   3.017  -0.735
+ 7360TIP3   OH228388   2.510   2.290  -1.756
+ 7360TIP3    H128389   2.504   2.383  -1.728
+ 7360TIP3    H228390   2.423   2.278  -1.798
+ 7361TIP3   OH228391   2.390   2.229  -1.440
+ 7361TIP3    H128392   2.382   2.182  -1.355
+ 7361TIP3    H228393   2.352   2.164  -1.500
+ 7362TIP3   OH228394   1.630   2.194  -1.268
+ 7362TIP3    H128395   1.626   2.118  -1.207
+ 7362TIP3    H228396   1.700   2.247  -1.226
+ 7363TIP3   OH228397   2.747   2.507  -1.603
+ 7363TIP3    H128398   2.712   2.439  -1.543
+ 7363TIP3    H228399   2.784   2.569  -1.538
+ 7364TIP3   OH228400   1.695   2.658  -1.419
+ 7364TIP3    H128401   1.671   2.566  -1.443
+ 7364TIP3    H228402   1.787   2.644  -1.393
+ 7365TIP3   OH228403   1.393   1.994  -1.880
+ 7365TIP3    H128404   1.354   2.081  -1.866
+ 7365TIP3    H228405   1.319   1.946  -1.920
+ 7366TIP3   OH228406   1.476   2.242  -1.692
+ 7366TIP3    H128407   1.490   2.159  -1.643
+ 7366TIP3    H228408   1.560   2.250  -1.739
+ 7367TIP3   OH228409   2.455   3.044  -1.546
+ 7367TIP3    H128410   2.514   2.973  -1.577
+ 7367TIP3    H228411   2.429   3.011  -1.459
+ 7368TIP3   OH228412   2.232   2.484  -1.379
+ 7368TIP3    H128413   2.265   2.413  -1.436
+ 7368TIP3    H228414   2.312   2.500  -1.326
+ 7369TIP3   OH228415   3.102   1.635  -1.319
+ 7369TIP3    H128416   3.114   1.697  -1.245
+ 7369TIP3    H228417   3.164   1.673  -1.385
+ 7370TIP3   OH228418   2.566   1.921  -1.329
+ 7370TIP3    H128419   2.579   1.825  -1.322
+ 7370TIP3    H228420   2.549   1.931  -1.424
+ 7371TIP3   OH228421   1.860   1.723  -1.622
+ 7371TIP3    H128422   1.871   1.809  -1.665
+ 7371TIP3    H228423   1.820   1.671  -1.694
+ 7372TIP3   OH228424   2.643   1.735  -1.792
+ 7372TIP3    H128425   2.702   1.696  -1.723
+ 7372TIP3    H228426   2.705   1.787  -1.844
+ 7373TIP3   OH228427   1.528   1.992  -1.568
+ 7373TIP3    H128428   1.590   1.945  -1.509
+ 7373TIP3    H228429   1.537   1.942  -1.650
+ 7374TIP3   OH228430   2.072   2.129  -1.622
+ 7374TIP3    H128431   2.134   2.069  -1.575
+ 7374TIP3    H228432   2.017   2.064  -1.670
+ 7375TIP3   OH228433   3.166   1.771  -1.065
+ 7375TIP3    H128434   3.125   1.852  -1.100
+ 7375TIP3    H228435   3.134   1.775  -0.974
+ 7376TIP3   OH228436   1.764   1.596  -1.203
+ 7376TIP3    H128437   1.737   1.670  -1.260
+ 7376TIP3    H228438   1.705   1.609  -1.127
+ 7377TIP3   OH228439   2.494   2.579  -1.869
+ 7377TIP3    H128440   2.450   2.553  -1.950
+ 7377TIP3    H228441   2.444   2.659  -1.844
+ 7378TIP3   OH228442   2.032   2.387  -1.190
+ 7378TIP3    H128443   1.957   2.445  -1.165
+ 7378TIP3    H228444   2.093   2.449  -1.233
+ 7379TIP3   OH228445   2.826   1.662  -1.586
+ 7379TIP3    H128446   2.784   1.602  -1.523
+ 7379TIP3    H228447   2.875   1.722  -1.527
+ 7380TIP3   OH228448   1.696   1.805  -1.410
+ 7380TIP3    H128449   1.760   1.862  -1.361
+ 7380TIP3    H228450   1.756   1.766  -1.477
+ 7381TIP3   OH228451   1.829   2.574  -1.120
+ 7381TIP3    H128452   1.825   2.668  -1.147
+ 7381TIP3    H228453   1.744   2.565  -1.074
+ 7382TIP3   OH228454   1.462   2.545  -2.031
+ 7382TIP3    H128455   1.439   2.595  -2.111
+ 7382TIP3    H228456   1.477   2.614  -1.963
+ 7383TIP3   OH228457   2.806   2.675  -1.357
+ 7383TIP3    H128458   2.714   2.706  -1.354
+ 7383TIP3    H228459   2.852   2.753  -1.392
+ 7384TIP3   OH228460   2.841   1.576  -1.195
+ 7384TIP3    H128461   2.763   1.612  -1.240
+ 7384TIP3    H228462   2.911   1.587  -1.263
+ 7385TIP3   OH228463   2.149   1.352  -1.495
+ 7385TIP3    H128464   2.128   1.256  -1.495
+ 7385TIP3    H228465   2.065   1.389  -1.460
+ 7386TIP3   OH228466   2.635   2.884  -1.700
+ 7386TIP3    H128467   2.686   2.804  -1.723
+ 7386TIP3    H228468   2.704   2.953  -1.704
+ 7387TIP3   OH228469   2.788   2.663  -1.842
+ 7387TIP3    H128470   2.717   2.624  -1.897
+ 7387TIP3    H228471   2.781   2.609  -1.761
+ 7388TIP3   OH228472   2.912   2.540  -0.998
+ 7388TIP3    H128473   2.935   2.472  -1.065
+ 7388TIP3    H228474   2.949   2.620  -1.039
+ 7389TIP3   OH228475   2.362   2.240  -2.017
+ 7389TIP3    H128476   2.294   2.302  -2.050
+ 7389TIP3    H228477   2.431   2.249  -2.084
+ 7390TIP3   OH228478   2.393   2.058  -2.305
+ 7390TIP3    H128479   2.465   2.093  -2.250
+ 7390TIP3    H228480   2.443   2.007  -2.371
+ 7391TIP3   OH228481   2.739   2.203  -1.879
+ 7391TIP3    H128482   2.664   2.261  -1.851
+ 7391TIP3    H228483   2.746   2.155  -1.795
+ 7392TIP3   OH228484   2.695   2.090  -1.022
+ 7392TIP3    H128485   2.699   2.167  -0.964
+ 7392TIP3    H228486   2.636   2.125  -1.090
+ 7393TIP3   OH228487   1.875   2.320  -1.733
+ 7393TIP3    H128488   1.841   2.275  -1.812
+ 7393TIP3    H228489   1.935   2.254  -1.696
+ 7394TIP3   OH228490   2.011   2.662  -1.458
+ 7394TIP3    H128491   1.998   2.618  -1.543
+ 7394TIP3    H228492   2.089   2.615  -1.423
+ 7395TIP3   OH228493   1.929   2.208  -1.388
+ 7395TIP3    H128494   1.993   2.207  -1.461
+ 7395TIP3    H228495   1.970   2.267  -1.322
+ 7396TIP3   OH228496   2.519   2.755  -1.325
+ 7396TIP3    H128497   2.529   2.819  -1.253
+ 7396TIP3    H228498   2.506   2.671  -1.277
+ 7397TIP3   OH228499   2.016   2.633  -0.898
+ 7397TIP3    H128500   1.963   2.699  -0.849
+ 7397TIP3    H228501   1.952   2.605  -0.966
+ 7398TIP3   OH228502   2.618   2.171  -2.154
+ 7398TIP3    H128503   2.667   2.203  -2.076
+ 7398TIP3    H228504   2.660   2.225  -2.225
+ 7399TIP3   OH228505   1.712   2.277  -0.991
+ 7399TIP3    H128506   1.717   2.324  -0.906
+ 7399TIP3    H228507   1.617   2.252  -0.993
+ 7400TIP3   OH228508   2.354   2.846  -1.806
+ 7400TIP3    H128509   2.402   2.875  -1.727
+ 7400TIP3    H228510   2.304   2.926  -1.831
+ 7401TIP3   OH228511   1.824   2.853  -0.815
+ 7401TIP3    H128512   1.814   2.853  -0.911
+ 7401TIP3    H228513   1.737   2.824  -0.783
+ 7402TIP3   OH228514   2.952   1.363  -2.211
+ 7402TIP3    H128515   2.865   1.373  -2.167
+ 7402TIP3    H228516   2.987   1.453  -2.206
+ 7403TIP3   OH228517   1.764   2.194  -1.977
+ 7403TIP3    H128518   1.743   2.270  -2.033
+ 7403TIP3    H228519   1.698   2.129  -2.004
+ 7404TIP3   OH228520   3.091   2.775  -2.360
+ 7404TIP3    H128521   3.106   2.868  -2.336
+ 7404TIP3    H228522   3.177   2.734  -2.339
+ 7405TIP3   OH228523   1.369   2.461  -1.104
+ 7405TIP3    H128524   1.326   2.459  -1.191
+ 7405TIP3    H228525   1.387   2.367  -1.087
+ 7406TIP3   OH228526   1.377   2.758  -1.413
+ 7406TIP3    H128527   1.467   2.723  -1.407
+ 7406TIP3    H228528   1.373   2.812  -1.333
+ 7407TIP3   OH228529   3.213   2.801  -0.829
+ 7407TIP3    H128530   3.198   2.705  -0.847
+ 7407TIP3    H228531   3.121   2.828  -0.807
+ 7408TIP3   OH228532   2.279   2.737  -0.954
+ 7408TIP3    H128533   2.286   2.820  -0.902
+ 7408TIP3    H228534   2.188   2.708  -0.931
+ 7409TIP3   OH228535   2.306   3.119  -1.957
+ 7409TIP3    H128536   2.309   3.129  -2.054
+ 7409TIP3    H228537   2.313   3.211  -1.926
+ 7410TIP3   OH228538   1.687   3.034  -1.793
+ 7410TIP3    H128539   1.704   2.988  -1.708
+ 7410TIP3    H228540   1.607   2.989  -1.823
+ 7411TIP3   OH228541   2.638   3.061  -2.240
+ 7411TIP3    H128542   2.695   2.995  -2.283
+ 7411TIP3    H228543   2.632   3.024  -2.149
+ 7412TIP3   OH228544   2.577   3.003  -1.960
+ 7412TIP3    H128545   2.481   3.016  -1.944
+ 7412TIP3    H228546   2.596   2.935  -1.893
+ 7413TIP3   OH228547   2.875   1.942  -0.773
+ 7413TIP3    H128548   2.877   2.001  -0.849
+ 7413TIP3    H228549   2.904   1.858  -0.814
+ 7414TIP3   OH228550   1.588   2.618  -0.978
+ 7414TIP3    H128551   1.618   2.569  -0.899
+ 7414TIP3    H228552   1.517   2.560  -1.013
+ 7415TIP3   OH228553   1.901   1.460  -1.414
+ 7415TIP3    H128554   1.809   1.441  -1.439
+ 7415TIP3    H228555   1.887   1.525  -1.342
+ 7416TIP3   OH228556   2.337   1.401  -1.026
+ 7416TIP3    H128557   2.381   1.349  -0.957
+ 7416TIP3    H228558   2.243   1.389  -1.008
+ 7417TIP3   OH228559   2.652   1.796  -0.989
+ 7417TIP3    H128560   2.608   1.790  -0.902
+ 7417TIP3    H228561   2.662   1.893  -1.000
+ 7418TIP3   OH228562   2.761   2.286  -2.359
+ 7418TIP3    H128563   2.740   2.276  -2.454
+ 7418TIP3    H228564   2.852   2.320  -2.364
+ 7419TIP3   OH228565   2.332   1.671  -2.312
+ 7419TIP3    H128566   2.280   1.660  -2.231
+ 7419TIP3    H228567   2.289   1.606  -2.369
+ 7420TIP3   OH228568   1.885   1.944  -1.269
+ 7420TIP3    H128569   1.844   1.954  -1.182
+ 7420TIP3    H228570   1.895   2.037  -1.299
+ 7421TIP3   OH228571   1.889   1.953  -1.776
+ 7421TIP3    H128572   1.793   1.942  -1.790
+ 7421TIP3    H228573   1.923   1.929  -1.864
+ 7422TIP3   OH228574   2.451   2.005  -1.900
+ 7422TIP3    H128575   2.407   2.088  -1.926
+ 7422TIP3    H228576   2.519   2.000  -1.967
+ 7423TIP3   OH228577   2.377   2.034  -0.768
+ 7423TIP3    H128578   2.321   1.965  -0.728
+ 7423TIP3    H228579   2.464   2.015  -0.727
+ 7424TIP3   OH228580   2.530   1.947  -1.617
+ 7424TIP3    H128581   2.498   2.002  -1.691
+ 7424TIP3    H228582   2.550   1.864  -1.664
+ 7425TIP3   OH228583   1.621   1.964  -1.078
+ 7425TIP3    H128584   1.666   1.985  -0.995
+ 7425TIP3    H228585   1.597   1.870  -1.064
+ 7426TIP3   OH228586   1.972   1.717  -2.423
+ 7426TIP3    H128587   1.936   1.683  -2.338
+ 7426TIP3    H228588   1.891   1.731  -2.474
+ 7427TIP3   OH228589   1.308   1.693  -1.711
+ 7427TIP3    H128590   1.370   1.694  -1.636
+ 7427TIP3    H228591   1.361   1.656  -1.783
+ 7428TIP3   OH228592   1.472   1.746  -2.143
+ 7428TIP3    H128593   1.527   1.796  -2.207
+ 7428TIP3    H228594   1.402   1.812  -2.124
+ 7429TIP3   OH228595   2.444   2.115  -1.175
+ 7429TIP3    H128596   2.490   2.041  -1.223
+ 7429TIP3    H228597   2.416   2.071  -1.094
+ 7430TIP3   OH228598   2.164   1.707  -1.672
+ 7430TIP3    H128599   2.069   1.706  -1.647
+ 7430TIP3    H228600   2.205   1.690  -1.585
+ 7431TIP3   OH228601   1.622   1.831  -1.804
+ 7431TIP3    H128602   1.540   1.859  -1.849
+ 7431TIP3    H228603   1.649   1.752  -1.854
+ 7432TIP3   OH228604   1.987   1.862  -2.037
+ 7432TIP3    H128605   2.083   1.875  -2.030
+ 7432TIP3    H228606   1.960   1.924  -2.107
+ 7433TIP3   OH228607   2.604   1.623  -1.370
+ 7433TIP3    H128608   2.542   1.622  -1.293
+ 7433TIP3    H228609   2.544   1.590  -1.439
+ 7434TIP3   OH228610   1.832   1.988  -2.257
+ 7434TIP3    H128611   1.772   1.961  -2.329
+ 7434TIP3    H228612   1.913   2.008  -2.308
+ 7435TIP3   OH228613   2.905   3.202  -0.703
+ 7435TIP3    H128614   2.929   3.245  -0.787
+ 7435TIP3    H228615   2.977   3.231  -0.645
+ 7436TIP3   OH228616   1.698   2.468  -0.761
+ 7436TIP3    H128617   1.764   2.473  -0.689
+ 7436TIP3    H228618   1.617   2.457  -0.707
+ 7437TIP3   OH228619   2.264   1.958  -1.476
+ 7437TIP3    H128620   2.336   1.911  -1.518
+ 7437TIP3    H228621   2.242   1.898  -1.401
+ 7438TIP3   OH228622   1.793   1.603  -1.876
+ 7438TIP3    H128623   1.741   1.525  -1.852
+ 7438TIP3    H228624   1.876   1.564  -1.907
+ 7439TIP3   OH228625   2.168   1.801  -1.267
+ 7439TIP3    H128626   2.074   1.824  -1.257
+ 7439TIP3    H228627   2.200   1.809  -1.176
+ 7440TIP3   OH228628   2.180   2.446  -2.074
+ 7440TIP3    H128629   2.103   2.396  -2.110
+ 7440TIP3    H228630   2.158   2.452  -1.978
+ 7441TIP3   OH228631   2.929   2.359  -1.208
+ 7441TIP3    H128632   2.988   2.388  -1.278
+ 7441TIP3    H228633   2.844   2.349  -1.254
+ 7442TIP3   OH228634   2.593   1.737  -2.271
+ 7442TIP3    H128635   2.498   1.727  -2.295
+ 7442TIP3    H228636   2.598   1.830  -2.249
+ 7443TIP3   OH228637   2.343   2.448  -0.944
+ 7443TIP3    H128638   2.312   2.415  -0.859
+ 7443TIP3    H228639   2.313   2.541  -0.943
+ 7444TIP3   OH228640   2.762   1.925  -2.034
+ 7444TIP3    H128641   2.803   1.866  -2.100
+ 7444TIP3    H228642   2.706   1.982  -2.091
+ 7445TIP3   OH228643   1.692   2.388  -1.493
+ 7445TIP3    H128644   1.750   2.375  -1.570
+ 7445TIP3    H228645   1.702   2.303  -1.446
+ 7446TIP3   OH228646   2.418   2.583  -2.183
+ 7446TIP3    H128647   2.394   2.669  -2.144
+ 7446TIP3    H228648   2.342   2.529  -2.155
+ 7447TIP3   OH228649   1.423   2.216  -0.965
+ 7447TIP3    H128650   1.432   2.170  -0.879
+ 7447TIP3    H228651   1.363   2.155  -1.013
+ 7448TIP3   OH228652   2.117   2.171  -0.772
+ 7448TIP3    H128653   2.083   2.140  -0.858
+ 7448TIP3    H228654   2.210   2.141  -0.780
+ 7449TIP3   OH228655   2.567   2.708  -0.998
+ 7449TIP3    H128656   2.471   2.717  -1.001
+ 7449TIP3    H228657   2.588   2.732  -0.907
+ 7450TIP3   OH228658   3.098   1.927  -2.094
+ 7450TIP3    H128659   3.063   1.882  -2.173
+ 7450TIP3    H228660   3.123   2.012  -2.135
+ 7451TIP3   OH228661   3.162   2.522  -0.835
+ 7451TIP3    H128662   3.066   2.513  -0.848
+ 7451TIP3    H228663   3.194   2.470  -0.911
+ 7452TIP3   OH228664   2.930   2.767  -2.117
+ 7452TIP3    H128665   2.921   2.699  -2.049
+ 7452TIP3    H228666   3.000   2.733  -2.175
+ 7453TIP3   OH228667   2.674   2.301  -1.371
+ 7453TIP3    H128668   2.581   2.282  -1.391
+ 7453TIP3    H228669   2.720   2.227  -1.412
+ 7454TIP3   OH228670   1.931   2.713  -1.771
+ 7454TIP3    H128671   1.973   2.801  -1.779
+ 7454TIP3    H228672   1.839   2.734  -1.789
+ 7455TIP3   OH228673   1.529   2.195  -2.307
+ 7455TIP3    H128674   1.586   2.263  -2.266
+ 7455TIP3    H228675   1.442   2.217  -2.270
+ 7456TIP3   OH228676   2.114   2.484  -1.806
+ 7456TIP3    H128677   2.083   2.575  -1.790
+ 7456TIP3    H228678   2.044   2.432  -1.763
+ 7457TIP3   OH228679   2.130   2.910  -1.169
+ 7457TIP3    H128680   2.187   2.984  -1.197
+ 7457TIP3    H228681   2.191   2.859  -1.114
+ 7458TIP3   OH228682   1.975   3.005  -1.846
+ 7458TIP3    H128683   1.879   3.020  -1.836
+ 7458TIP3    H228684   2.011   3.092  -1.821
+ 7459TIP3   OH228685   2.473   2.480  -1.217
+ 7459TIP3    H128686   2.445   2.457  -1.127
+ 7459TIP3    H228687   2.551   2.424  -1.230
+ 7460TIP3   OH228688   2.688   2.612  -2.321
+ 7460TIP3    H128689   2.731   2.571  -2.244
+ 7460TIP3    H228690   2.595   2.600  -2.295
+ 7461TIP3   OH228691   2.760   2.945  -0.967
+ 7461TIP3    H128692   2.688   2.898  -1.015
+ 7461TIP3    H228693   2.778   3.019  -1.027
+ 7462TIP3   OH228694   3.162   3.041  -2.267
+ 7462TIP3    H128695   3.232   3.105  -2.287
+ 7462TIP3    H228696   3.085   3.101  -2.267
+ 7463TIP3   OH228697   1.556   1.684  -1.025
+ 7463TIP3    H128698   1.462   1.713  -1.030
+ 7463TIP3    H228699   1.547   1.598  -0.980
+ 7464TIP3   OH228700   2.784   2.462  -2.083
+ 7464TIP3    H128701   2.763   2.403  -2.010
+ 7464TIP3    H228702   2.879   2.477  -2.072
+ 7465TIP3   OH228703   1.527   2.854  -1.165
+ 7465TIP3    H128704   1.555   2.763  -1.149
+ 7465TIP3    H228705   1.548   2.895  -1.080
+ 7466TIP3   OH228706   2.112   2.720  -2.463
+ 7466TIP3    H128707   2.141   2.641  -2.512
+ 7466TIP3    H228708   2.070   2.681  -2.385
+ 7467TIP3   OH228709   1.998   2.672  -2.193
+ 7467TIP3    H128710   2.046   2.619  -2.128
+ 7467TIP3    H228711   2.011   2.763  -2.159
+ 7468TIP3   OH228712   1.680   2.416  -2.153
+ 7468TIP3    H128713   1.607   2.453  -2.100
+ 7468TIP3    H228714   1.727   2.498  -2.179
+ 7469TIP3   OH228715   2.449   1.650  -1.147
+ 7469TIP3    H128716   2.509   1.681  -1.077
+ 7469TIP3    H228717   2.397   1.581  -1.102
+ 7470TIP3   OH228718   2.511   1.604  -2.023
+ 7470TIP3    H128719   2.532   1.653  -2.104
+ 7470TIP3    H228720   2.556   1.654  -1.954
+ 7471TIP3   OH228721   2.292   2.834  -2.129
+ 7471TIP3    H128722   2.210   2.883  -2.111
+ 7471TIP3    H228723   2.327   2.882  -2.205
+ 7472TIP3   OH228724   2.254   1.806  -1.929
+ 7472TIP3    H128725   2.328   1.868  -1.911
+ 7472TIP3    H228726   2.221   1.788  -1.839
+ 7473TIP3   OH228727   2.280   1.887  -1.002
+ 7473TIP3    H128728   2.300   1.952  -0.932
+ 7473TIP3    H228729   2.352   1.824  -0.993
+ 7474TIP3   OH228730   2.308   1.506  -1.836
+ 7474TIP3    H128731   2.289   1.572  -1.767
+ 7474TIP3    H228732   2.381   1.549  -1.884
+ 7475TIP3   OH228733   2.011   2.942  -2.129
+ 7475TIP3    H128734   2.005   3.024  -2.183
+ 7475TIP3    H228735   1.998   2.976  -2.038
+ 7476TIP3   OH228736   1.885   1.609  -2.184
+ 7476TIP3    H128737   1.882   1.683  -2.121
+ 7476TIP3    H228738   1.965   1.562  -2.155
+ 7477TIP3   OH228739   2.916   1.702  -0.924
+ 7477TIP3    H128740   2.820   1.711  -0.938
+ 7477TIP3    H228741   2.941   1.677  -1.015
+ 7478TIP3   OH228742   2.791   2.069  -1.596
+ 7478TIP3    H128743   2.699   2.043  -1.580
+ 7478TIP3    H228744   2.837   2.020  -1.525
+ 7479TIP3   OH228745   1.724   2.698  -2.276
+ 7479TIP3    H128746   1.798   2.746  -2.236
+ 7479TIP3    H228747   1.773   2.646  -2.342
+ 7480TIP3   OH228748   1.539   1.916  -2.365
+ 7480TIP3    H128749   1.550   2.009  -2.341
+ 7480TIP3    H228750   1.450   1.915  -2.402
+ 7481TIP3   OH228751   2.862   2.971  -1.381
+ 7481TIP3    H128752   2.858   3.056  -1.430
+ 7481TIP3    H228753   2.956   2.967  -1.360
+ 7482TIP3   OH228754   1.615   1.369  -1.469
+ 7482TIP3    H128755   1.601   1.386  -1.564
+ 7482TIP3    H228756   1.571   1.284  -1.454
+ 7483TIP3   OH228757   1.520   2.768  -1.856
+ 7483TIP3    H128758   1.441   2.819  -1.834
+ 7483TIP3    H228759   1.557   2.820  -1.930
+ 7484TIP3   OH228760   1.459   3.059  -0.743
+ 7484TIP3    H128761   1.518   3.030  -0.671
+ 7484TIP3    H228762   1.422   2.973  -0.772
+ 7485TIP3   OH228763   1.928   2.962  -0.561
+ 7485TIP3    H128764   2.000   2.899  -0.545
+ 7485TIP3    H228765   1.905   2.940  -0.653
+ 7486TIP3   OH228766   2.334   2.891  -2.413
+ 7486TIP3    H128767   2.258   2.829  -2.422
+ 7486TIP3    H228768   2.405   2.836  -2.450
+ 7487TIP3   OH228769   2.572   2.796  -0.703
+ 7487TIP3    H128770   2.539   2.711  -0.669
+ 7487TIP3    H228771   2.646   2.815  -0.643
+ 7488TIP3   OH228772   2.796   2.880  -2.403
+ 7488TIP3    H128773   2.814   2.802  -2.348
+ 7488TIP3    H228774   2.877   2.884  -2.458
+ 7489TIP3   OH228775   1.456   2.426  -0.633
+ 7489TIP3    H128776   1.464   2.332  -0.656
+ 7489TIP3    H228777   1.379   2.452  -0.687
+ 7490TIP3   OH228778   1.877   2.464  -2.430
+ 7490TIP3    H128779   1.892   2.405  -2.354
+ 7490TIP3    H228780   1.963   2.459  -2.474
+ 7491TIP3   OH228781   2.118   2.441  -0.696
+ 7491TIP3    H128782   2.089   2.474  -0.782
+ 7491TIP3    H228783   2.125   2.345  -0.712
+ 7492TIP3   OH228784   2.401   2.597  -2.468
+ 7492TIP3    H128785   2.396   2.593  -2.371
+ 7492TIP3    H228786   2.396   2.501  -2.489
+ 7493TIP3   OH228787   2.659   2.402  -0.958
+ 7493TIP3    H128788   2.735   2.458  -0.982
+ 7493TIP3    H228789   2.586   2.467  -0.960
+ 7494TIP3   OH228790   1.570   2.138  -0.715
+ 7494TIP3    H128791   1.628   2.061  -0.707
+ 7494TIP3    H228792   1.548   2.153  -0.622
+ 7495TIP3   OH228793   1.986   2.272  -2.195
+ 7495TIP3    H128794   1.924   2.222  -2.140
+ 7495TIP3    H228795   2.014   2.203  -2.258
+ 7496TIP3   OH228796   1.900   2.034  -0.974
+ 7496TIP3    H128797   1.861   2.116  -0.940
+ 7496TIP3    H228798   1.973   2.067  -1.029
+ 7497TIP3   OH228799   2.080   2.073  -2.370
+ 7497TIP3    H128800   2.075   2.081  -2.467
+ 7497TIP3    H228801   2.176   2.071  -2.355
+ 7498TIP3   OH228802   2.442   2.322  -0.611
+ 7498TIP3    H128803   2.532   2.306  -0.642
+ 7498TIP3    H228804   2.416   2.234  -0.579
+ 7499TIP3   OH228805   3.031   2.324  -2.436
+ 7499TIP3    H128806   3.021   2.283  -2.523
+ 7499TIP3    H228807   3.021   2.419  -2.460
+ 7500TIP3   OH228808   2.155   2.168  -1.068
+ 7500TIP3    H128809   2.237   2.159  -1.120
+ 7500TIP3    H228810   2.122   2.254  -1.100
+ 7501TIP3   OH228811   2.617   1.967  -0.591
+ 7501TIP3    H128812   2.635   1.872  -0.584
+ 7501TIP3    H228813   2.707   2.000  -0.610
+ 7502TIP3   OH228814   2.747   2.247  -0.753
+ 7502TIP3    H128815   2.707   2.308  -0.818
+ 7502TIP3    H228816   2.832   2.230  -0.794
+ 7503TIP3   OH228817   1.812   1.925  -0.681
+ 7503TIP3    H128818   1.740   1.859  -0.678
+ 7503TIP3    H228819   1.868   1.895  -0.754
+ 7504TIP3   OH228820   2.178   1.841  -0.682
+ 7504TIP3    H128821   2.167   1.788  -0.601
+ 7504TIP3    H228822   2.117   1.801  -0.745
+ 7505TIP3   OH228823   2.445   1.720  -0.789
+ 7505TIP3    H128824   2.357   1.715  -0.750
+ 7505TIP3    H228825   2.494   1.652  -0.739
+ 7506TIP3   OH228826   2.623   1.543  -0.646
+ 7506TIP3    H128827   2.627   1.449  -0.621
+ 7506TIP3    H228828   2.616   1.588  -0.560
+ 7507TIP3   OH228829   2.057   3.197  -2.260
+ 7507TIP3    H128830   2.153   3.208  -2.249
+ 7507TIP3    H228831   2.044   3.242  -2.344
+ 7508TIP3   OH228832   1.448   2.638  -2.309
+ 7508TIP3    H128833   1.543   2.655  -2.293
+ 7508TIP3    H228834   1.449   2.557  -2.364
+ 7509TIP3   OH228835   1.344   3.158  -1.827
+ 7509TIP3    H128836   1.276   3.118  -1.885
+ 7509TIP3    H228837   1.358   3.086  -1.762
+ 7510TIP3   OH228838   1.385   2.959  -1.634
+ 7510TIP3    H128839   1.357   2.871  -1.603
+ 7510TIP3    H228840   1.423   2.992  -1.551
+ 7511TIP3   OH228841   3.143   3.108  -1.333
+ 7511TIP3    H128842   3.156   3.069  -1.246
+ 7511TIP3    H228843   3.233   3.106  -1.368
+ 7512TIP3   OH228844   3.129   3.027  -1.040
+ 7512TIP3    H128845   3.081   2.952  -1.080
+ 7512TIP3    H228846   3.190   2.978  -0.983
+ 7513TIP3   OH228847   2.927   2.570  -0.615
+ 7513TIP3    H128848   2.840   2.580  -0.573
+ 7513TIP3    H228849   2.975   2.650  -0.588
+ 7514TIP3   OH228850   3.075   2.452  -2.041
+ 7514TIP3    H128851   3.162   2.492  -2.020
+ 7514TIP3    H228852   3.058   2.400  -1.961
+ 7515TIP3   OH228853   3.076   2.191  -1.811
+ 7515TIP3    H128854   3.032   2.199  -1.725
+ 7515TIP3    H228855   3.159   2.239  -1.788
+ 7516TIP3   OH228856   2.962   2.808  -1.120
+ 7516TIP3    H128857   2.882   2.832  -1.071
+ 7516TIP3    H228858   2.927   2.762  -1.198
+ 7517TIP3   OH228859   3.133   2.200  -2.181
+ 7517TIP3    H128860   3.090   2.226  -2.264
+ 7517TIP3    H228861   3.130   2.285  -2.133
+ 7518TIP3   OH228862   2.968   1.959  -2.361
+ 7518TIP3    H128863   2.994   2.018  -2.432
+ 7518TIP3    H228864   2.947   1.877  -2.409
+ 7519TIP3   OH228865   1.395   2.294  -1.394
+ 7519TIP3    H128866   1.420   2.298  -1.488
+ 7519TIP3    H228867   1.481   2.271  -1.353
+ 7520TIP3   OH228868   2.912   1.696  -2.436
+ 7520TIP3    H128869   2.975   1.642  -2.385
+ 7520TIP3    H228870   2.837   1.636  -2.451
+ 7521TIP3   OH228871   2.924   1.885  -1.413
+ 7521TIP3    H128872   3.021   1.900  -1.407
+ 7521TIP3    H228873   2.902   1.894  -1.319
+ 7522TIP3   OH228874   2.940   1.969  -1.137
+ 7522TIP3    H128875   2.857   2.004  -1.099
+ 7522TIP3    H228876   2.999   2.045  -1.123
+ 7523TIP3   OH228877   3.201   1.367  -0.589
+ 7523TIP3    H128878   3.212   1.295  -0.652
+ 7523TIP3    H228879   3.190   1.444  -0.648
+ 7524TIP3   OH228880   2.938   1.594  -1.950
+ 7524TIP3    H128881   2.953   1.561  -1.859
+ 7524TIP3    H228882   2.865   1.536  -1.979
+ 7525TIP3   OH228883   1.470   1.648  -1.478
+ 7525TIP3    H128884   1.510   1.564  -1.452
+ 7525TIP3    H228885   1.535   1.711  -1.440
+ 7526TIP3   OH228886   1.320   1.925  -1.370
+ 7526TIP3    H128887   1.378   1.928  -1.447
+ 7526TIP3    H228888   1.353   2.000  -1.318
+ 7527TIP3   OH228889   3.128   1.565  -0.762
+ 7527TIP3    H128890   3.043   1.612  -0.761
+ 7527TIP3    H228891   3.120   1.517  -0.846
+ 7528TIP3   OH228892   3.142   1.594  -2.287
+ 7528TIP3    H128893   3.170   1.510  -2.326
+ 7528TIP3    H228894   3.227   1.640  -2.276
+ 7529TIP3   OH228895   1.369   1.544  -1.973
+ 7529TIP3    H128896   1.273   1.561  -1.977
+ 7529TIP3    H228897   1.407   1.616  -2.027
+ 7530TIP3   OH228898   2.828   3.095  -1.755
+ 7530TIP3    H128899   2.878   3.064  -1.833
+ 7530TIP3    H228900   2.899   3.123  -1.696
+ 7531TIP3   OH228901   1.368   1.428  -1.180
+ 7531TIP3    H128902   1.309   1.430  -1.102
+ 7531TIP3    H228903   1.324   1.493  -1.236
+ 7532TIP3   OH228904   1.570   2.769  -0.680
+ 7532TIP3    H128905   1.500   2.756  -0.746
+ 7532TIP3    H228906   1.523   2.753  -0.597
+ 7533TIP3   OH228907   1.854   2.859  -1.114
+ 7533TIP3    H128908   1.824   2.944  -1.149
+ 7533TIP3    H228909   1.950   2.867  -1.131
+ 7534TIP3   OH228910   2.304   2.991  -0.812
+ 7534TIP3    H128911   2.321   2.972  -0.719
+ 7534TIP3    H228912   2.387   3.034  -0.839
+ 7535TIP3   OH228913   2.533   3.135  -0.889
+ 7535TIP3    H128914   2.603   3.073  -0.914
+ 7535TIP3    H228915   2.564   3.165  -0.802
+ 7536TIP3   OH228916   3.029   1.398  -0.973
+ 7536TIP3    H128917   2.942   1.423  -1.009
+ 7536TIP3    H228918   3.034   1.306  -1.005
+ 7537TIP3   OH228919   1.592   3.155  -1.081
+ 7537TIP3    H128920   1.531   3.218  -1.124
+ 7537TIP3    H228921   1.558   3.157  -0.991
+ 7538TIP3   OH228922   1.840   3.131  -1.226
+ 7538TIP3    H128923   1.755   3.150  -1.181
+ 7538TIP3    H228924   1.844   3.202  -1.293
+ 7539TIP3   OH228925   2.315   3.131  -1.270
+ 7539TIP3    H128926   2.278   3.177  -1.347
+ 7539TIP3    H228927   2.325   3.205  -1.206
+ 7540TIP3   OH228928   2.548   3.002  -1.178
+ 7540TIP3    H128929   2.465   3.040  -1.211
+ 7540TIP3    H228930   2.607   3.079  -1.180
+ 7541TIP3   OH228931   2.799   3.176  -1.158
+ 7541TIP3    H128932   2.798   3.270  -1.183
+ 7541TIP3    H228933   2.832   3.135  -1.240
+ 7542TIP3   OH228934   1.549   3.034  -1.387
+ 7542TIP3    H128935   1.547   2.985  -1.301
+ 7542TIP3    H228936   1.625   2.990  -1.430
+ 7543TIP3   OH228937   1.752   2.909  -1.543
+ 7543TIP3    H128938   1.736   2.816  -1.516
+ 7543TIP3    H228939   1.843   2.924  -1.511
+ 7544TIP3   OH228940   2.027   2.955  -1.454
+ 7544TIP3    H128941   2.046   2.862  -1.475
+ 7544TIP3    H228942   2.035   2.953  -1.357
+ 7545TIP3   OH228943   2.362   1.545  -1.525
+ 7545TIP3    H128944   2.290   1.481  -1.508
+ 7545TIP3    H228945   2.421   1.494  -1.582
+ 7546TIP3   OH228946   2.857   1.346  -1.480
+ 7546TIP3    H128947   2.931   1.393  -1.523
+ 7546TIP3    H228948   2.780   1.376  -1.532
+ 7547TIP3   OH228949   3.060   1.459  -1.700
+ 7547TIP3    H128950   3.132   1.415  -1.749
+ 7547TIP3    H228951   3.097   1.548  -1.684
+ 7548TIP3   OH228952   1.605   1.406  -1.761
+ 7548TIP3    H128953   1.516   1.396  -1.799
+ 7548TIP3    H228954   1.644   1.319  -1.774
+ 7549TIP3   OH228955   1.480   1.361  -2.180
+ 7549TIP3    H128956   1.530   1.429  -2.229
+ 7549TIP3    H228957   1.438   1.414  -2.110
+ 7550TIP3   OH228958   2.040   1.388  -1.784
+ 7550TIP3    H128959   2.130   1.423  -1.793
+ 7550TIP3    H228960   2.032   1.386  -1.687
+ 7551TIP3   OH228961   2.600   1.403  -1.640
+ 7551TIP3    H128962   2.631   1.382  -1.730
+ 7551TIP3    H228963   2.563   1.317  -1.612
+ 7552TIP3   OH228964   2.718   1.406  -2.043
+ 7552TIP3    H128965   2.633   1.453  -2.053
+ 7552TIP3    H228966   2.688   1.316  -2.023
+ 7553TIP3   OH228967   1.494   2.961  -2.062
+ 7553TIP3    H128968   1.431   2.947  -2.135
+ 7553TIP3    H228969   1.494   3.057  -2.057
+ 7554TIP3   OH228970   1.647   1.545  -2.336
+ 7554TIP3    H128971   1.710   1.492  -2.388
+ 7554TIP3    H228972   1.705   1.580  -2.266
+ 7555TIP3   OH228973   2.158   1.564  -2.076
+ 7555TIP3    H128974   2.193   1.508  -2.004
+ 7555TIP3    H228975   2.175   1.651  -2.037
+ 7556TIP3   OH228976   2.362   3.144  -2.252
+ 7556TIP3    H128977   2.460   3.144  -2.256
+ 7556TIP3    H228978   2.342   3.078  -2.320
+ 7557TIP3   OH228979   3.012   3.047  -1.994
+ 7557TIP3    H128980   2.989   2.963  -2.038
+ 7557TIP3    H228981   3.009   3.109  -2.069
+ 7558TIP3   OH228982   1.638   3.056  -2.384
+ 7558TIP3    H128983   1.616   3.083  -2.293
+ 7558TIP3    H228984   1.715   2.998  -2.370
+ 7559TIP3   OH228985   2.961   2.922  -0.751
+ 7559TIP3    H128986   2.892   2.903  -0.817
+ 7559TIP3    H228987   2.947   3.017  -0.737
+ 7560TIP3   OH228988   4.187   2.217  -1.456
+ 7560TIP3    H128989   4.250   2.226  -1.382
+ 7560TIP3    H228990   4.234   2.148  -1.506
+ 7561TIP3   OH228991   3.527   2.192  -1.277
+ 7561TIP3    H128992   3.517   2.114  -1.219
+ 7561TIP3    H228993   3.572   2.253  -1.218
+ 7562TIP3   OH228994   3.613   2.665  -1.424
+ 7562TIP3    H128995   3.549   2.593  -1.437
+ 7562TIP3    H228996   3.692   2.617  -1.397
+ 7563TIP3   OH228997   3.280   1.984  -1.883
+ 7563TIP3    H128998   3.251   2.075  -1.861
+ 7563TIP3    H228999   3.214   1.953  -1.946
+ 7564TIP3   OH229000   3.340   2.232  -1.715
+ 7564TIP3    H129001   3.351   2.179  -1.634
+ 7564TIP3    H229002   3.431   2.263  -1.729
+ 7565TIP3   OH229003   3.727   1.704  -1.622
+ 7565TIP3    H129004   3.754   1.793  -1.650
+ 7565TIP3    H229005   3.689   1.668  -1.704
+ 7566TIP3   OH229006   3.413   1.983  -1.563
+ 7566TIP3    H129007   3.481   1.946  -1.505
+ 7566TIP3    H229008   3.430   1.936  -1.646
+ 7567TIP3   OH229009   3.618   1.593  -1.194
+ 7567TIP3    H129010   3.597   1.653  -1.267
+ 7567TIP3    H229011   3.556   1.623  -1.126
+ 7568TIP3   OH229012   3.929   2.395  -1.204
+ 7568TIP3    H129013   3.845   2.435  -1.175
+ 7568TIP3    H229014   3.987   2.472  -1.199
+ 7569TIP3   OH229015   3.611   1.819  -1.394
+ 7569TIP3    H129016   3.678   1.878  -1.356
+ 7569TIP3    H229017   3.665   1.778  -1.465
+ 7570TIP3   OH229018   3.717   2.569  -1.115
+ 7570TIP3    H129019   3.712   2.661  -1.149
+ 7570TIP3    H229020   3.628   2.564  -1.074
+ 7571TIP3   OH229021   3.344   2.543  -2.030
+ 7571TIP3    H129022   3.328   2.596  -2.109
+ 7571TIP3    H229023   3.364   2.612  -1.962
+ 7572TIP3   OH229024   4.042   1.347  -1.493
+ 7572TIP3    H129025   4.015   1.253  -1.491
+ 7572TIP3    H229026   3.963   1.389  -1.453
+ 7573TIP3   OH229027   4.261   2.226  -2.027
+ 7573TIP3    H129028   4.198   2.298  -2.046
+ 7573TIP3    H229029   4.336   2.251  -2.081
+ 7574TIP3   OH229030   4.288   2.075  -2.307
+ 7574TIP3    H129031   4.369   2.075  -2.254
+ 7574TIP3    H229032   4.296   1.997  -2.362
+ 7575TIP3   OH229033   3.801   2.286  -1.729
+ 7575TIP3    H129034   3.738   2.274  -1.803
+ 7575TIP3    H229035   3.811   2.193  -1.703
+ 7576TIP3   OH229036   3.911   2.614  -1.450
+ 7576TIP3    H129037   3.904   2.625  -1.546
+ 7576TIP3    H229038   4.003   2.632  -1.429
+ 7577TIP3   OH229039   3.846   2.220  -1.430
+ 7577TIP3    H129040   3.865   2.125  -1.428
+ 7577TIP3    H229041   3.830   2.238  -1.335
+ 7578TIP3   OH229042   3.903   2.635  -0.900
+ 7578TIP3    H129043   3.852   2.701  -0.850
+ 7578TIP3    H229044   3.837   2.608  -0.967
+ 7579TIP3   OH229045   3.576   2.260  -0.985
+ 7579TIP3    H129046   3.584   2.315  -0.905
+ 7579TIP3    H229047   3.480   2.260  -0.996
+ 7580TIP3   OH229048   4.245   2.842  -1.807
+ 7580TIP3    H129049   4.299   2.891  -1.743
+ 7580TIP3    H229050   4.199   2.913  -1.854
+ 7581TIP3   OH229051   3.711   2.849  -0.816
+ 7581TIP3    H129052   3.700   2.853  -0.913
+ 7581TIP3    H229053   3.623   2.823  -0.785
+ 7582TIP3   OH229054   3.652   2.198  -1.971
+ 7582TIP3    H129055   3.629   2.270  -2.031
+ 7582TIP3    H229056   3.591   2.128  -1.997
+ 7583TIP3   OH229057   3.269   2.433  -1.101
+ 7583TIP3    H129058   3.231   2.446  -1.189
+ 7583TIP3    H229059   3.231   2.346  -1.076
+ 7584TIP3   OH229060   4.171   2.737  -0.950
+ 7584TIP3    H129061   4.181   2.824  -0.909
+ 7584TIP3    H229062   4.080   2.710  -0.925
+ 7585TIP3   OH229063   4.184   3.119  -1.959
+ 7585TIP3    H129064   4.206   3.123  -2.053
+ 7585TIP3    H229065   4.208   3.206  -1.926
+ 7586TIP3   OH229066   3.573   3.033  -1.793
+ 7586TIP3    H129067   3.590   2.987  -1.708
+ 7586TIP3    H229068   3.489   2.992  -1.819
+ 7587TIP3   OH229069   3.475   2.613  -0.981
+ 7587TIP3    H129070   3.501   2.564  -0.901
+ 7587TIP3    H229071   3.398   2.562  -1.014
+ 7588TIP3   OH229072   3.795   1.454  -1.401
+ 7588TIP3    H129073   3.711   1.457  -1.451
+ 7588TIP3    H229074   3.792   1.541  -1.357
+ 7589TIP3   OH229075   4.233   1.401  -0.974
+ 7589TIP3    H129076   4.244   1.325  -0.914
+ 7589TIP3    H229077   4.142   1.385  -1.007
+ 7590TIP3   OH229078   4.234   1.678  -2.300
+ 7590TIP3    H129079   4.168   1.659  -2.232
+ 7590TIP3    H229080   4.206   1.615  -2.368
+ 7591TIP3   OH229081   3.788   1.980  -1.764
+ 7591TIP3    H129082   3.694   1.962  -1.774
+ 7591TIP3    H229083   3.823   1.945  -1.848
+ 7592TIP3   OH229084   4.297   1.969  -1.883
+ 7592TIP3    H129085   4.273   2.062  -1.897
+ 7592TIP3    H229086   4.323   1.940  -1.971
+ 7593TIP3   OH229087   4.252   2.033  -0.746
+ 7593TIP3    H129088   4.194   1.954  -0.742
+ 7593TIP3    H229089   4.337   1.985  -0.744
+ 7594TIP3   OH229090   3.525   1.954  -1.093
+ 7594TIP3    H129091   3.535   2.000  -1.009
+ 7594TIP3    H229092   3.484   1.870  -1.067
+ 7595TIP3   OH229093   3.866   1.723  -2.425
+ 7595TIP3    H129094   3.827   1.688  -2.342
+ 7595TIP3    H229095   3.787   1.734  -2.480
+ 7596TIP3   OH229096   3.201   1.706  -1.714
+ 7596TIP3    H129097   3.263   1.711  -1.639
+ 7596TIP3    H229098   3.253   1.663  -1.783
+ 7597TIP3   OH229099   3.357   1.745  -2.143
+ 7597TIP3    H129100   3.413   1.794  -2.207
+ 7597TIP3    H229101   3.290   1.812  -2.123
+ 7598TIP3   OH229102   4.359   2.073  -1.135
+ 7598TIP3    H129103   4.365   2.016  -1.216
+ 7598TIP3    H229104   4.272   2.051  -1.104
+ 7599TIP3   OH229105   4.044   1.691  -1.668
+ 7599TIP3    H129106   3.951   1.699  -1.642
+ 7599TIP3    H229107   4.085   1.723  -1.586
+ 7600TIP3   OH229108   3.517   1.837  -1.808
+ 7600TIP3    H129109   3.432   1.862  -1.847
+ 7600TIP3    H229110   3.544   1.758  -1.858
+ 7601TIP3   OH229111   3.864   1.864  -2.033
+ 7601TIP3    H129112   3.960   1.869  -2.027
+ 7601TIP3    H229113   3.840   1.926  -2.104
+ 7602TIP3   OH229114   3.721   1.992  -2.259
+ 7602TIP3    H129115   3.661   1.962  -2.329
+ 7602TIP3    H229116   3.804   2.004  -2.309
+ 7603TIP3   OH229117   3.582   2.462  -0.763
+ 7603TIP3    H129118   3.649   2.471  -0.692
+ 7603TIP3    H229119   3.502   2.455  -0.709
+ 7604TIP3   OH229120   3.674   1.602  -1.884
+ 7604TIP3    H129121   3.622   1.523  -1.860
+ 7604TIP3    H229122   3.761   1.564  -1.903
+ 7605TIP3   OH229123   4.071   2.433  -2.073
+ 7605TIP3    H129124   3.995   2.385  -2.113
+ 7605TIP3    H229125   4.048   2.435  -1.979
+ 7606TIP3   OH229126   4.209   2.438  -0.948
+ 7606TIP3    H129127   4.183   2.422  -0.857
+ 7606TIP3    H229128   4.214   2.535  -0.953
+ 7607TIP3   OH229129   3.569   2.374  -1.504
+ 7607TIP3    H129130   3.648   2.361  -1.557
+ 7607TIP3    H229131   3.569   2.296  -1.446
+ 7608TIP3   OH229132   4.287   2.575  -2.175
+ 7608TIP3    H129133   4.260   2.665  -2.146
+ 7608TIP3    H229134   4.211   2.523  -2.144
+ 7609TIP3   OH229135   3.999   2.162  -0.764
+ 7609TIP3    H129136   3.959   2.130  -0.847
+ 7609TIP3    H229137   4.093   2.137  -0.777
+ 7610TIP3   OH229138   3.820   2.713  -1.771
+ 7610TIP3    H129139   3.856   2.802  -1.780
+ 7610TIP3    H229140   3.725   2.730  -1.778
+ 7611TIP3   OH229141   3.415   2.194  -2.304
+ 7611TIP3    H129142   3.475   2.260  -2.266
+ 7611TIP3    H229143   3.329   2.230  -2.277
+ 7612TIP3   OH229144   3.996   2.480  -1.754
+ 7612TIP3    H129145   3.973   2.570  -1.783
+ 7612TIP3    H229146   3.911   2.432  -1.769
+ 7613TIP3   OH229147   4.022   2.911  -1.170
+ 7613TIP3    H129148   4.078   2.985  -1.200
+ 7613TIP3    H229149   4.083   2.863  -1.112
+ 7614TIP3   OH229150   3.859   3.004  -1.846
+ 7614TIP3    H129151   3.764   3.019  -1.834
+ 7614TIP3    H229152   3.896   3.091  -1.821
+ 7615TIP3   OH229153   3.426   1.686  -0.988
+ 7615TIP3    H129154   3.339   1.707  -1.026
+ 7615TIP3    H229155   3.414   1.593  -0.963
+ 7616TIP3   OH229156   3.419   2.869  -1.161
+ 7616TIP3    H129157   3.414   2.773  -1.174
+ 7616TIP3    H229158   3.445   2.875  -1.069
+ 7617TIP3   OH229159   3.993   2.724  -2.463
+ 7617TIP3    H129160   4.029   2.648  -2.513
+ 7617TIP3    H229161   3.957   2.680  -2.384
+ 7618TIP3   OH229162   3.885   2.667  -2.188
+ 7618TIP3    H129163   3.936   2.619  -2.121
+ 7618TIP3    H229164   3.897   2.760  -2.159
+ 7619TIP3   OH229165   3.566   2.416  -2.152
+ 7619TIP3    H129166   3.493   2.455  -2.099
+ 7619TIP3    H229167   3.612   2.496  -2.181
+ 7620TIP3   OH229168   4.346   1.711  -1.106
+ 7620TIP3    H129169   4.358   1.642  -1.040
+ 7620TIP3    H229170   4.275   1.675  -1.162
+ 7621TIP3   OH229171   4.167   2.831  -2.136
+ 7621TIP3    H129172   4.089   2.884  -2.112
+ 7621TIP3    H229173   4.211   2.889  -2.199
+ 7622TIP3   OH229174   4.114   1.778  -1.928
+ 7622TIP3    H129175   4.185   1.841  -1.900
+ 7622TIP3    H229176   4.079   1.758  -1.839
+ 7623TIP3   OH229177   4.147   1.863  -0.984
+ 7623TIP3    H129178   4.169   1.955  -0.964
+ 7623TIP3    H229179   4.223   1.832  -1.036
+ 7624TIP3   OH229180   4.195   1.502  -1.810
+ 7624TIP3    H129181   4.163   1.579  -1.757
+ 7624TIP3    H229182   4.272   1.541  -1.855
+ 7625TIP3   OH229183   3.894   2.940  -2.130
+ 7625TIP3    H129184   3.891   3.022  -2.183
+ 7625TIP3    H229185   3.880   2.974  -2.039
+ 7626TIP3   OH229186   3.773   1.612  -2.190
+ 7626TIP3    H129187   3.767   1.681  -2.122
+ 7626TIP3    H229188   3.850   1.561  -2.161
+ 7627TIP3   OH229189   3.610   2.695  -2.276
+ 7627TIP3    H129190   3.682   2.747  -2.235
+ 7627TIP3    H229191   3.661   2.646  -2.342
+ 7628TIP3   OH229192   3.421   1.914  -2.359
+ 7628TIP3    H129193   3.436   2.009  -2.340
+ 7628TIP3    H229194   3.340   1.915  -2.411
+ 7629TIP3   OH229195   3.513   1.419  -1.484
+ 7629TIP3    H129196   3.496   1.419  -1.581
+ 7629TIP3    H229197   3.479   1.333  -1.456
+ 7630TIP3   OH229198   3.404   2.760  -1.868
+ 7630TIP3    H129199   3.336   2.807  -1.817
+ 7630TIP3    H229200   3.435   2.828  -1.930
+ 7631TIP3   OH229201   3.342   3.055  -0.744
+ 7631TIP3    H129202   3.402   3.028  -0.673
+ 7631TIP3    H229203   3.304   2.970  -0.771
+ 7632TIP3   OH229204   3.813   2.963  -0.563
+ 7632TIP3    H129205   3.882   2.897  -0.545
+ 7632TIP3    H229206   3.789   2.940  -0.655
+ 7633TIP3   OH229207   4.231   2.889  -2.431
+ 7633TIP3    H129208   4.147   2.837  -2.430
+ 7633TIP3    H229209   4.294   2.816  -2.445
+ 7634TIP3   OH229210   3.338   2.415  -0.626
+ 7634TIP3    H129211   3.356   2.329  -0.670
+ 7634TIP3    H229212   3.264   2.448  -0.681
+ 7635TIP3   OH229213   3.762   2.464  -2.430
+ 7635TIP3    H129214   3.779   2.405  -2.355
+ 7635TIP3    H229215   3.848   2.461  -2.476
+ 7636TIP3   OH229216   4.010   2.442  -0.700
+ 7636TIP3    H129217   3.977   2.474  -0.785
+ 7636TIP3    H229218   4.015   2.345  -0.714
+ 7637TIP3   OH229219   4.260   2.597  -2.474
+ 7637TIP3    H129220   4.279   2.607  -2.379
+ 7637TIP3    H229221   4.244   2.501  -2.479
+ 7638TIP3   OH229222   3.442   2.157  -0.704
+ 7638TIP3    H129223   3.479   2.071  -0.726
+ 7638TIP3    H229224   3.388   2.137  -0.627
+ 7639TIP3   OH229225   3.872   2.270  -2.194
+ 7639TIP3    H129226   3.808   2.219  -2.142
+ 7639TIP3    H229227   3.902   2.202  -2.258
+ 7640TIP3   OH229228   3.808   2.057  -0.964
+ 7640TIP3    H129229   3.737   2.123  -0.963
+ 7640TIP3    H229230   3.848   2.071  -1.051
+ 7641TIP3   OH229231   3.979   2.072  -2.367
+ 7641TIP3    H129232   3.970   2.078  -2.464
+ 7641TIP3    H229233   4.075   2.085  -2.356
+ 7642TIP3   OH229234   4.285   2.297  -0.598
+ 7642TIP3    H129235   4.355   2.267  -0.655
+ 7642TIP3    H229236   4.266   2.215  -0.549
+ 7643TIP3   OH229237   3.846   1.776  -0.857
+ 7643TIP3    H129238   3.869   1.715  -0.928
+ 7643TIP3    H229239   3.839   1.860  -0.905
+ 7644TIP3   OH229240   3.908   1.640  -1.145
+ 7644TIP3    H129241   3.946   1.712  -1.199
+ 7644TIP3    H229242   3.813   1.653  -1.161
+ 7645TIP3   OH229243   4.082   2.162  -1.072
+ 7645TIP3    H129244   4.120   2.145  -1.158
+ 7645TIP3    H229245   4.040   2.248  -1.087
+ 7646TIP3   OH229246   3.671   1.950  -0.660
+ 7646TIP3    H129247   3.621   1.871  -0.688
+ 7646TIP3    H229248   3.748   1.945  -0.718
+ 7647TIP3   OH229249   3.965   1.375  -1.072
+ 7647TIP3    H129250   3.953   1.468  -1.101
+ 7647TIP3    H229251   3.902   1.329  -1.130
+ 7648TIP3   OH229252   4.105   1.804  -0.696
+ 7648TIP3    H129253   4.056   1.781  -0.615
+ 7648TIP3    H229254   4.038   1.786  -0.765
+ 7649TIP3   OH229255   3.542   1.712  -0.684
+ 7649TIP3    H129256   3.522   1.663  -0.765
+ 7649TIP3    H229257   3.502   1.656  -0.615
+ 7650TIP3   OH229258   3.943   1.308  -0.795
+ 7650TIP3    H129259   4.005   1.234  -0.789
+ 7650TIP3    H229260   3.943   1.326  -0.891
+ 7651TIP3   OH229261   4.033   1.486  -0.598
+ 7651TIP3    H129262   4.010   1.433  -0.676
+ 7651TIP3    H229263   3.974   1.562  -0.606
+ 7652TIP3   OH229264   3.956   3.194  -2.259
+ 7652TIP3    H129265   4.052   3.202  -2.251
+ 7652TIP3    H229266   3.941   3.243  -2.341
+ 7653TIP3   OH229267   3.334   2.637  -2.306
+ 7653TIP3    H129268   3.429   2.656  -2.293
+ 7653TIP3    H229269   3.337   2.559  -2.365
+ 7654TIP3   OH229270   3.234   3.154  -1.830
+ 7654TIP3    H129271   3.162   3.116  -1.883
+ 7654TIP3    H229272   3.244   3.085  -1.760
+ 7655TIP3   OH229273   3.272   2.946  -1.630
+ 7655TIP3    H129274   3.242   2.858  -1.597
+ 7655TIP3    H229275   3.305   2.978  -1.544
+ 7656TIP3   OH229276   3.256   2.259  -1.396
+ 7656TIP3    H129277   3.269   2.327  -1.464
+ 7656TIP3    H229278   3.335   2.271  -1.340
+ 7657TIP3   OH229279   3.272   1.836  -0.696
+ 7657TIP3    H129280   3.336   1.838  -0.768
+ 7657TIP3    H229281   3.198   1.788  -0.735
+ 7658TIP3   OH229282   3.362   1.675  -1.469
+ 7658TIP3    H129283   3.405   1.588  -1.460
+ 7658TIP3    H229284   3.430   1.733  -1.432
+ 7659TIP3   OH229285   3.202   1.950  -1.358
+ 7659TIP3    H129286   3.266   1.939  -1.430
+ 7659TIP3    H229287   3.227   2.039  -1.328
+ 7660TIP3   OH229288   3.236   1.558  -1.970
+ 7660TIP3    H129289   3.143   1.583  -1.984
+ 7660TIP3    H229290   3.285   1.620  -2.028
+ 7661TIP3   OH229291   3.254   1.448  -1.150
+ 7661TIP3    H129292   3.183   1.430  -1.086
+ 7661TIP3    H229293   3.207   1.504  -1.214
+ 7662TIP3   OH229294   3.456   2.760  -0.682
+ 7662TIP3    H129295   3.385   2.753  -0.748
+ 7662TIP3    H229296   3.406   2.758  -0.599
+ 7663TIP3   OH229297   3.743   2.858  -1.112
+ 7663TIP3    H129298   3.704   2.939  -1.148
+ 7663TIP3    H229299   3.837   2.873  -1.131
+ 7664TIP3   OH229300   4.221   3.021  -0.825
+ 7664TIP3    H129301   4.204   2.987  -0.736
+ 7664TIP3    H229302   4.315   3.044  -0.817
+ 7665TIP3   OH229303   3.485   3.164  -1.077
+ 7665TIP3    H129304   3.420   3.217  -1.125
+ 7665TIP3    H229305   3.441   3.154  -0.992
+ 7666TIP3   OH229306   3.731   3.133  -1.224
+ 7666TIP3    H129307   3.645   3.147  -1.179
+ 7666TIP3    H229308   3.729   3.203  -1.291
+ 7667TIP3   OH229309   4.197   3.108  -1.269
+ 7667TIP3    H129310   4.177   3.159  -1.350
+ 7667TIP3    H229311   4.258   3.167  -1.222
+ 7668TIP3   OH229312   3.435   3.036  -1.385
+ 7668TIP3    H129313   3.422   2.981  -1.304
+ 7668TIP3    H229314   3.504   2.983  -1.429
+ 7669TIP3   OH229315   3.638   2.906  -1.551
+ 7669TIP3    H129316   3.616   2.817  -1.514
+ 7669TIP3    H229317   3.721   2.925  -1.505
+ 7670TIP3   OH229318   3.915   2.961  -1.453
+ 7670TIP3    H129319   3.933   2.869  -1.475
+ 7670TIP3    H229320   3.919   2.959  -1.356
+ 7671TIP3   OH229321   4.275   1.504  -1.522
+ 7671TIP3    H129322   4.185   1.470  -1.506
+ 7671TIP3    H229323   4.292   1.470  -1.610
+ 7672TIP3   OH229324   3.478   1.415  -1.768
+ 7672TIP3    H129325   3.392   1.397  -1.810
+ 7672TIP3    H229326   3.522   1.329  -1.780
+ 7673TIP3   OH229327   3.360   1.365  -2.179
+ 7673TIP3    H129328   3.412   1.431  -2.228
+ 7673TIP3    H229329   3.318   1.419  -2.110
+ 7674TIP3   OH229330   3.930   1.397  -1.780
+ 7674TIP3    H129331   4.022   1.427  -1.787
+ 7674TIP3    H229332   3.922   1.389  -1.684
+ 7675TIP3   OH229333   3.383   2.962  -2.067
+ 7675TIP3    H129334   3.316   2.950  -2.136
+ 7675TIP3    H229335   3.378   3.057  -2.054
+ 7676TIP3   OH229336   3.532   1.548  -2.337
+ 7676TIP3    H129337   3.592   1.491  -2.388
+ 7676TIP3    H229338   3.593   1.582  -2.268
+ 7677TIP3   OH229339   4.066   1.562  -2.082
+ 7677TIP3    H129340   4.064   1.498  -2.009
+ 7677TIP3    H229341   4.062   1.647  -2.033
+ 7678TIP3   OH229342   4.263   3.124  -2.254
+ 7678TIP3    H129343   4.351   3.162  -2.272
+ 7678TIP3    H229344   4.249   3.066  -2.331
+ 7679TIP3   OH229345   3.461   1.430  -0.821
+ 7679TIP3    H129346   3.426   1.357  -0.768
+ 7679TIP3    H229347   3.554   1.431  -0.791
+ 7680TIP3   OH229348   3.695   1.378  -0.642
+ 7680TIP3    H129349   3.780   1.346  -0.678
+ 7680TIP3    H229350   3.665   1.299  -0.594
+ 7681TIP3   OH229351   3.524   3.055  -2.384
+ 7681TIP3    H129352   3.499   3.080  -2.293
+ 7681TIP3    H229353   3.601   2.998  -2.369
+ 7682TIP3   OH229354  -3.158   4.202  -1.760
+ 7682TIP3    H129355  -3.188   4.294  -1.758
+ 7682TIP3    H229356  -3.233   4.161  -1.806
+ 7683TIP3   OH229357  -3.280   4.133  -1.432
+ 7683TIP3    H129358  -3.275   4.080  -1.350
+ 7683TIP3    H229359  -3.303   4.067  -1.498
+ 7684TIP3   OH229360  -4.021   4.074  -1.276
+ 7684TIP3    H129361  -4.033   4.005  -1.208
+ 7684TIP3    H229362  -3.967   4.138  -1.227
+ 7685TIP3   OH229363  -4.212   3.922  -1.995
+ 7685TIP3    H129364  -4.234   4.000  -1.942
+ 7685TIP3    H229365  -4.299   3.879  -2.004
+ 7686TIP3   OH229366  -4.194   4.120  -1.721
+ 7686TIP3    H129367  -4.196   4.057  -1.648
+ 7686TIP3    H229368  -4.100   4.142  -1.721
+ 7687TIP3   OH229369  -2.559   3.521  -1.313
+ 7687TIP3    H129370  -2.536   3.585  -1.243
+ 7687TIP3    H229371  -2.499   3.550  -1.384
+ 7688TIP3   OH229372  -3.095   3.804  -1.326
+ 7688TIP3    H129373  -3.083   3.707  -1.322
+ 7688TIP3    H229374  -3.105   3.818  -1.421
+ 7689TIP3   OH229375  -3.798   3.605  -1.620
+ 7689TIP3    H129376  -3.785   3.691  -1.665
+ 7689TIP3    H229377  -3.834   3.553  -1.694
+ 7690TIP3   OH229378  -3.014   3.622  -1.788
+ 7690TIP3    H129379  -2.955   3.580  -1.721
+ 7690TIP3    H229380  -2.948   3.668  -1.843
+ 7691TIP3   OH229381  -4.143   3.878  -1.570
+ 7691TIP3    H129382  -4.083   3.843  -1.501
+ 7691TIP3    H229383  -4.117   3.822  -1.645
+ 7692TIP3   OH229384  -3.589   4.018  -1.622
+ 7692TIP3    H129385  -3.522   3.959  -1.581
+ 7692TIP3    H229386  -3.645   3.953  -1.668
+ 7693TIP3   OH229387  -2.487   3.659  -1.065
+ 7693TIP3    H129388  -2.543   3.732  -1.096
+ 7693TIP3    H229389  -2.509   3.658  -0.971
+ 7694TIP3   OH229390  -3.919   3.487  -1.202
+ 7694TIP3    H129391  -3.962   3.534  -1.275
+ 7694TIP3    H229392  -3.981   3.503  -1.129
+ 7695TIP3   OH229393  -3.647   4.266  -1.224
+ 7695TIP3    H129394  -3.727   4.319  -1.218
+ 7695TIP3    H229395  -3.581   4.337  -1.233
+ 7696TIP3   OH229396  -2.830   3.545  -1.583
+ 7696TIP3    H129397  -2.873   3.490  -1.516
+ 7696TIP3    H229398  -2.779   3.607  -1.528
+ 7697TIP3   OH229399  -3.957   3.691  -1.410
+ 7697TIP3    H129400  -3.894   3.749  -1.364
+ 7697TIP3    H229401  -3.899   3.654  -1.480
+ 7698TIP3   OH229402  -2.818   3.459  -1.200
+ 7698TIP3    H129403  -2.895   3.501  -1.243
+ 7698TIP3    H229404  -2.745   3.481  -1.261
+ 7699TIP3   OH229405  -3.505   3.233  -1.494
+ 7699TIP3    H129406  -3.529   3.138  -1.500
+ 7699TIP3    H229407  -3.588   3.272  -1.457
+ 7700TIP3   OH229408  -3.308   4.143  -2.020
+ 7700TIP3    H129409  -3.372   4.179  -2.084
+ 7700TIP3    H229410  -3.230   4.134  -2.078
+ 7701TIP3   OH229411  -3.267   3.942  -2.302
+ 7701TIP3    H129412  -3.194   3.979  -2.249
+ 7701TIP3    H229413  -3.217   3.892  -2.369
+ 7702TIP3   OH229414  -2.556   4.054  -1.196
+ 7702TIP3    H129415  -2.620   4.127  -1.182
+ 7702TIP3    H229416  -2.504   4.094  -1.269
+ 7703TIP3   OH229417  -2.936   4.140  -1.919
+ 7703TIP3    H129418  -3.001   4.162  -1.850
+ 7703TIP3    H229419  -2.869   4.090  -1.869
+ 7704TIP3   OH229420  -2.963   3.980  -1.026
+ 7704TIP3    H129421  -2.959   4.057  -0.967
+ 7704TIP3    H229422  -3.018   4.018  -1.098
+ 7705TIP3   OH229423  -3.771   4.217  -1.730
+ 7705TIP3    H129424  -3.800   4.181  -1.816
+ 7705TIP3    H229425  -3.702   4.154  -1.704
+ 7706TIP3   OH229426  -3.731   4.075  -1.390
+ 7706TIP3    H129427  -3.668   4.077  -1.466
+ 7706TIP3    H229428  -3.696   4.145  -1.331
+ 7707TIP3   OH229429  -3.056   4.074  -2.155
+ 7707TIP3    H129430  -2.998   4.101  -2.080
+ 7707TIP3    H229431  -3.009   4.119  -2.230
+ 7708TIP3   OH229432  -3.957   4.144  -0.989
+ 7708TIP3    H129433  -3.949   4.202  -0.910
+ 7708TIP3    H229434  -4.048   4.167  -1.015
+ 7709TIP3   OH229435  -2.705   3.246  -2.213
+ 7709TIP3    H129436  -2.792   3.257  -2.170
+ 7709TIP3    H229437  -2.669   3.336  -2.209
+ 7710TIP3   OH229438  -3.896   4.087  -1.975
+ 7710TIP3    H129439  -3.912   4.164  -2.033
+ 7710TIP3    H229440  -3.963   4.024  -2.007
+ 7711TIP3   OH229441  -4.201   4.278  -1.110
+ 7711TIP3    H129442  -4.258   4.314  -1.180
+ 7711TIP3    H229443  -4.264   4.242  -1.045
+ 7712TIP3   OH229444  -2.764   3.837  -0.792
+ 7712TIP3    H129445  -2.815   3.876  -0.865
+ 7712TIP3    H229446  -2.759   3.744  -0.821
+ 7713TIP3   OH229447  -3.748   3.348  -1.404
+ 7713TIP3    H129448  -3.831   3.339  -1.454
+ 7713TIP3    H229449  -3.771   3.421  -1.345
+ 7714TIP3   OH229450  -3.311   3.306  -1.039
+ 7714TIP3    H129451  -3.259   3.254  -0.975
+ 7714TIP3    H229452  -3.402   3.273  -1.026
+ 7715TIP3   OH229453  -2.993   3.685  -0.986
+ 7715TIP3    H129454  -3.055   3.671  -0.912
+ 7715TIP3    H229455  -3.002   3.780  -1.004
+ 7716TIP3   OH229456  -2.917   4.176  -2.361
+ 7716TIP3    H129457  -2.921   4.158  -2.457
+ 7716TIP3    H229458  -2.828   4.216  -2.354
+ 7717TIP3   OH229459  -3.330   3.557  -2.312
+ 7717TIP3    H129460  -3.380   3.544  -2.230
+ 7717TIP3    H229461  -3.371   3.490  -2.369
+ 7718TIP3   OH229462  -3.761   3.827  -1.261
+ 7718TIP3    H129463  -3.823   3.839  -1.187
+ 7718TIP3    H229464  -3.756   3.917  -1.299
+ 7719TIP3   OH229465  -3.769   3.833  -1.775
+ 7719TIP3    H129466  -3.865   3.830  -1.793
+ 7719TIP3    H229467  -3.734   3.817  -1.865
+ 7720TIP3   OH229468  -3.207   3.898  -1.895
+ 7720TIP3    H129469  -3.252   3.975  -1.934
+ 7720TIP3    H229470  -3.139   3.879  -1.962
+ 7721TIP3   OH229471  -3.287   3.921  -0.753
+ 7721TIP3    H129472  -3.337   3.843  -0.721
+ 7721TIP3    H229473  -3.198   3.905  -0.716
+ 7722TIP3   OH229474  -3.124   3.830  -1.620
+ 7722TIP3    H129475  -3.150   3.885  -1.695
+ 7722TIP3    H229476  -3.099   3.749  -1.668
+ 7723TIP3   OH229477  -4.023   3.842  -1.080
+ 7723TIP3    H129478  -4.000   3.884  -0.996
+ 7723TIP3    H229479  -4.052   3.754  -1.051
+ 7724TIP3   OH229480  -3.687   3.603  -2.419
+ 7724TIP3    H129481  -3.724   3.565  -2.338
+ 7724TIP3    H229482  -3.764   3.617  -2.474
+ 7725TIP3   OH229483  -4.320   3.604  -1.714
+ 7725TIP3    H129484  -4.304   3.580  -1.620
+ 7725TIP3    H229485  -4.278   3.532  -1.760
+ 7726TIP3   OH229486  -4.208   3.645  -2.131
+ 7726TIP3    H129487  -4.148   3.674  -2.202
+ 7726TIP3    H229488  -4.291   3.687  -2.157
+ 7727TIP3   OH229489  -3.225   3.997  -1.177
+ 7727TIP3    H129490  -3.170   3.930  -1.224
+ 7727TIP3    H229491  -3.251   3.947  -1.098
+ 7728TIP3   OH229492  -3.491   3.592  -1.671
+ 7728TIP3    H129493  -3.585   3.591  -1.648
+ 7728TIP3    H229494  -3.449   3.577  -1.585
+ 7729TIP3   OH229495  -4.041   3.720  -1.809
+ 7729TIP3    H129496  -4.115   3.735  -1.871
+ 7729TIP3    H229497  -4.003   3.637  -1.843
+ 7730TIP3   OH229498  -3.671   3.749  -2.037
+ 7730TIP3    H129499  -3.574   3.758  -2.030
+ 7730TIP3    H229500  -3.695   3.811  -2.108
+ 7731TIP3   OH229501  -3.052   3.506  -1.370
+ 7731TIP3    H129502  -3.115   3.508  -1.295
+ 7731TIP3    H229503  -3.111   3.474  -1.440
+ 7732TIP3   OH229504  -3.826   3.878  -2.259
+ 7732TIP3    H129505  -3.882   3.844  -2.330
+ 7732TIP3    H229506  -3.744   3.897  -2.307
+ 7733TIP3   OH229507  -3.956   4.308  -0.775
+ 7733TIP3    H129508  -3.891   4.357  -0.721
+ 7733TIP3    H229509  -4.036   4.321  -0.721
+ 7734TIP3   OH229510  -3.391   3.848  -1.490
+ 7734TIP3    H129511  -3.314   3.808  -1.533
+ 7734TIP3    H229512  -3.404   3.789  -1.413
+ 7735TIP3   OH229513  -3.873   3.485  -1.864
+ 7735TIP3    H129514  -3.917   3.399  -1.859
+ 7735TIP3    H229515  -3.792   3.464  -1.912
+ 7736TIP3   OH229516  -3.492   3.694  -1.265
+ 7736TIP3    H129517  -3.569   3.753  -1.264
+ 7736TIP3    H229518  -3.442   3.721  -1.185
+ 7737TIP3   OH229519  -3.526   4.365  -2.046
+ 7737TIP3    H129520  -3.558   4.301  -2.112
+ 7737TIP3    H229521  -3.465   4.317  -1.990
+ 7738TIP3   OH229522  -2.731   4.265  -1.207
+ 7738TIP3    H129523  -2.704   4.311  -1.289
+ 7738TIP3    H229524  -2.826   4.256  -1.227
+ 7739TIP3   OH229525  -3.062   3.615  -2.297
+ 7739TIP3    H129526  -3.160   3.615  -2.302
+ 7739TIP3    H229527  -3.043   3.689  -2.236
+ 7740TIP3   OH229528  -2.994   3.798  -2.090
+ 7740TIP3    H129529  -2.906   3.781  -2.052
+ 7740TIP3    H229530  -2.982   3.885  -2.132
+ 7741TIP3   OH229531  -3.973   4.217  -1.543
+ 7741TIP3    H129532  -3.885   4.232  -1.584
+ 7741TIP3    H229533  -3.949   4.167  -1.464
+ 7742TIP3   OH229534  -4.283   4.108  -0.919
+ 7742TIP3    H129535  -4.237   4.047  -0.858
+ 7742TIP3    H229536  -4.299   4.053  -0.999
+ 7743TIP3   OH229537  -3.542   4.050  -0.765
+ 7743TIP3    H129538  -3.577   4.027  -0.853
+ 7743TIP3    H229539  -3.447   4.028  -0.777
+ 7744TIP3   OH229540  -2.537   3.798  -2.118
+ 7744TIP3    H129541  -2.591   3.779  -2.197
+ 7744TIP3    H229542  -2.523   3.894  -2.132
+ 7745TIP3   OH229543  -2.989   4.181  -1.340
+ 7745TIP3    H129544  -3.080   4.182  -1.373
+ 7745TIP3    H229545  -2.941   4.135  -1.410
+ 7746TIP3   OH229546  -4.159   4.100  -2.297
+ 7746TIP3    H129547  -4.083   4.146  -2.257
+ 7746TIP3    H229548  -4.229   4.164  -2.277
+ 7747TIP3   OH229549  -4.100   3.572  -1.001
+ 7747TIP3    H129550  -4.185   3.608  -1.032
+ 7747TIP3    H229551  -4.123   3.487  -0.961
+ 7748TIP3   OH229552  -3.960  -4.393  -2.135
+ 7748TIP3    H129553  -4.051  -4.358  -2.127
+ 7748TIP3    H229554  -3.911  -4.312  -2.154
+ 7749TIP3   OH229555  -3.209   3.548  -1.151
+ 7749TIP3    H129556  -3.149   3.576  -1.080
+ 7749TIP3    H229557  -3.259   3.475  -1.109
+ 7750TIP3   OH229558  -3.146   3.493  -2.024
+ 7750TIP3    H129559  -3.128   3.545  -2.103
+ 7750TIP3    H229560  -3.100   3.544  -1.955
+ 7751TIP3   OH229561  -3.404   3.692  -1.929
+ 7751TIP3    H129562  -3.328   3.752  -1.915
+ 7751TIP3    H229563  -3.434   3.675  -1.837
+ 7752TIP3   OH229564  -3.365   3.790  -1.012
+ 7752TIP3    H129565  -3.361   3.841  -0.929
+ 7752TIP3    H229566  -3.316   3.711  -0.988
+ 7753TIP3   OH229567  -3.346   3.393  -1.835
+ 7753TIP3    H129568  -3.366   3.463  -1.770
+ 7753TIP3    H229569  -3.273   3.435  -1.885
+ 7754TIP3   OH229570  -3.774   3.494  -2.177
+ 7754TIP3    H129571  -3.765   3.575  -2.123
+ 7754TIP3    H229572  -3.692   3.447  -2.153
+ 7755TIP3   OH229573  -2.741   3.583  -0.924
+ 7755TIP3    H129574  -2.836   3.597  -0.940
+ 7755TIP3    H229575  -2.714   3.564  -1.015
+ 7756TIP3   OH229576  -2.887   3.967  -1.530
+ 7756TIP3    H129577  -2.972   3.922  -1.548
+ 7756TIP3    H229578  -2.840   3.899  -1.476
+ 7757TIP3   OH229579  -4.113   3.799  -2.362
+ 7757TIP3    H129580  -4.108   3.892  -2.337
+ 7757TIP3    H229581  -4.198   3.789  -2.404
+ 7758TIP3   OH229582  -4.024   3.294  -1.489
+ 7758TIP3    H129583  -4.059   3.294  -1.580
+ 7758TIP3    H229584  -4.069   3.216  -1.450
+ 7759TIP3   OH229585  -4.199   4.349  -0.666
+ 7759TIP3    H129586  -4.194   4.253  -0.660
+ 7759TIP3    H229587  -4.294   4.361  -0.647
+ 7760TIP3   OH229588  -3.586   4.329  -0.727
+ 7760TIP3    H129589  -3.585   4.345  -0.823
+ 7760TIP3    H229590  -3.551   4.237  -0.723
+ 7761TIP3   OH229591  -2.985  -4.376  -0.952
+ 7761TIP3    H129592  -2.905  -4.333  -0.986
+ 7761TIP3    H229593  -3.052  -4.310  -0.971
+ 7762TIP3   OH229594  -4.130   4.021  -0.700
+ 7762TIP3    H129595  -4.050   3.966  -0.708
+ 7762TIP3    H229596  -4.132   4.037  -0.604
+ 7763TIP3   OH229597  -3.662   4.161  -2.200
+ 7763TIP3    H129598  -3.727   4.120  -2.142
+ 7763TIP3    H229599  -3.646   4.092  -2.267
+ 7764TIP3   OH229600  -3.746   3.934  -0.966
+ 7764TIP3    H129601  -3.806   4.009  -0.950
+ 7764TIP3    H229602  -3.685   3.970  -1.032
+ 7765TIP3   OH229603  -3.578   3.957  -2.373
+ 7765TIP3    H129604  -3.580   3.972  -2.470
+ 7765TIP3    H229605  -3.482   3.955  -2.356
+ 7766TIP3   OH229606  -3.218   4.216  -0.612
+ 7766TIP3    H129607  -3.131   4.196  -0.649
+ 7766TIP3    H229608  -3.252   4.129  -0.589
+ 7767TIP3   OH229609  -2.650   4.189  -2.450
+ 7767TIP3    H129610  -2.657   4.183  -2.547
+ 7767TIP3    H229611  -2.644   4.285  -2.434
+ 7768TIP3   OH229612  -3.690   3.663  -0.856
+ 7768TIP3    H129613  -3.684   3.598  -0.928
+ 7768TIP3    H229614  -3.711   3.744  -0.905
+ 7769TIP3   OH229615  -3.656   3.510  -1.112
+ 7769TIP3    H129616  -3.605   3.563  -1.175
+ 7769TIP3    H229617  -3.748   3.514  -1.147
+ 7770TIP3   OH229618  -3.506   4.067  -1.080
+ 7770TIP3    H129619  -3.422   4.056  -1.128
+ 7770TIP3    H229620  -3.541   4.148  -1.121
+ 7771TIP3   OH229621  -3.043   3.849  -0.593
+ 7771TIP3    H129622  -3.022   3.755  -0.581
+ 7771TIP3    H229623  -2.954   3.888  -0.599
+ 7772TIP3   OH229624  -2.947   4.136  -0.758
+ 7772TIP3    H129625  -2.971   4.208  -0.821
+ 7772TIP3    H229626  -2.856   4.119  -0.786
+ 7773TIP3   OH229627  -3.878   3.853  -0.677
+ 7773TIP3    H129628  -3.931   3.771  -0.678
+ 7773TIP3    H229629  -3.797   3.826  -0.722
+ 7774TIP3   OH229630  -3.585   3.243  -1.076
+ 7774TIP3    H129631  -3.602   3.338  -1.093
+ 7774TIP3    H229632  -3.656   3.201  -1.129
+ 7775TIP3   OH229633  -3.457   3.700  -0.698
+ 7775TIP3    H129634  -3.493   3.681  -0.609
+ 7775TIP3    H229635  -3.537   3.681  -0.752
+ 7776TIP3   OH229636  -3.205   3.606  -0.811
+ 7776TIP3    H129637  -3.293   3.612  -0.769
+ 7776TIP3    H229638  -3.160   3.543  -0.752
+ 7777TIP3   OH229639  -3.019   3.453  -0.637
+ 7777TIP3    H129640  -3.036   3.358  -0.621
+ 7777TIP3    H229641  -3.038   3.495  -0.551
+ 7778TIP3   OH229642  -4.013   3.597  -0.694
+ 7778TIP3    H129643  -4.017   3.525  -0.759
+ 7778TIP3    H229644  -4.033   3.552  -0.611
+ 7779TIP3   OH229645  -3.601   3.192  -0.795
+ 7779TIP3    H129646  -3.542   3.115  -0.790
+ 7779TIP3    H229647  -3.604   3.207  -0.891
+ 7780TIP3   OH229648  -3.506   3.378  -0.608
+ 7780TIP3    H129649  -3.537   3.319  -0.681
+ 7780TIP3    H229650  -3.574   3.447  -0.607
+ 7781TIP3   OH229651  -2.570   4.358  -2.014
+ 7781TIP3    H129652  -2.474   4.365  -2.025
+ 7781TIP3    H229653  -2.582   4.277  -1.962
+ 7782TIP3   OH229654  -2.532   4.133  -1.847
+ 7782TIP3    H129655  -2.608   4.089  -1.806
+ 7782TIP3    H229656  -2.473   4.151  -1.772
+ 7783TIP3   OH229657  -2.514   4.093  -2.194
+ 7783TIP3    H129658  -2.576   4.117  -2.265
+ 7783TIP3    H229659  -2.526   4.168  -2.134
+ 7784TIP3   OH229660  -2.687   3.843  -2.361
+ 7784TIP3    H129661  -2.666   3.907  -2.431
+ 7784TIP3    H229662  -2.710   3.762  -2.411
+ 7785TIP3   OH229663  -2.758   3.966  -1.773
+ 7785TIP3    H129664  -2.759   3.869  -1.786
+ 7785TIP3    H229665  -2.793   3.974  -1.681
+ 7786TIP3   OH229666  -4.247   4.214  -1.388
+ 7786TIP3    H129667  -4.231   4.179  -1.476
+ 7786TIP3    H229668  -4.178   4.170  -1.334
+ 7787TIP3   OH229669  -2.672   4.161  -0.849
+ 7787TIP3    H129670  -2.599   4.101  -0.823
+ 7787TIP3    H229671  -2.629   4.243  -0.876
+ 7788TIP3   OH229672  -2.529   3.965  -0.734
+ 7788TIP3    H129673  -2.610   3.912  -0.752
+ 7788TIP3    H229674  -2.461   3.895  -0.730
+ 7789TIP3   OH229675  -2.740   3.579  -2.442
+ 7789TIP3    H129676  -2.681   3.530  -2.382
+ 7789TIP3    H229677  -2.820   3.524  -2.447
+ 7790TIP3   OH229678  -2.759   3.706  -1.946
+ 7790TIP3    H129679  -2.733   3.611  -1.941
+ 7790TIP3    H229680  -2.678   3.743  -1.987
+ 7791TIP3   OH229681  -2.737   3.766  -1.403
+ 7791TIP3    H129682  -2.640   3.780  -1.406
+ 7791TIP3    H229683  -2.752   3.772  -1.308
+ 7792TIP3   OH229684  -2.720   3.837  -1.121
+ 7792TIP3    H129685  -2.806   3.876  -1.096
+ 7792TIP3    H229686  -2.668   3.917  -1.145
+ 7793TIP3   OH229687  -4.289   3.703  -0.770
+ 7793TIP3    H129688  -4.200   3.665  -0.759
+ 7793TIP3    H229689  -4.349   3.634  -0.740
+ 7794TIP3   OH229690  -2.463   3.253  -0.592
+ 7794TIP3    H129691  -2.423   3.184  -0.648
+ 7794TIP3    H229692  -2.462   3.330  -0.651
+ 7795TIP3   OH229693  -2.713   3.427  -1.949
+ 7795TIP3    H129694  -2.701   3.396  -1.858
+ 7795TIP3    H229695  -2.792   3.378  -1.977
+ 7796TIP3   OH229696  -4.194   3.556  -1.451
+ 7796TIP3    H129697  -4.159   3.466  -1.445
+ 7796TIP3    H229698  -4.117   3.611  -1.425
+ 7797TIP3   OH229699  -4.327   3.815  -1.357
+ 7797TIP3    H129700  -4.292   3.766  -1.433
+ 7797TIP3    H229701  -4.308   3.906  -1.381
+ 7798TIP3   OH229702  -2.526   3.457  -0.767
+ 7798TIP3    H129703  -2.614   3.500  -0.762
+ 7798TIP3    H229704  -2.539   3.403  -0.847
+ 7799TIP3   OH229705  -2.517   3.476  -2.284
+ 7799TIP3    H129706  -2.483   3.395  -2.327
+ 7799TIP3    H229707  -2.436   3.528  -2.272
+ 7800TIP3   OH229708  -4.315   3.428  -2.009
+ 7800TIP3    H129709  -4.400   3.459  -2.044
+ 7800TIP3    H229710  -4.256   3.500  -2.042
+ 7801TIP3   OH229711  -4.292   3.321  -1.175
+ 7801TIP3    H129712  -4.358   3.316  -1.102
+ 7801TIP3    H229713  -4.334   3.379  -1.241
+ 7802TIP3   OH229714  -2.639   3.281  -0.969
+ 7802TIP3    H129715  -2.719   3.303  -1.020
+ 7802TIP3    H229716  -2.618   3.191  -1.003
+ 7803TIP3   OH229717  -3.296   3.429  -1.522
+ 7803TIP3    H129718  -3.366   3.363  -1.508
+ 7803TIP3    H229719  -3.237   3.384  -1.584
+ 7804TIP3   OH229720  -2.802   3.229  -1.477
+ 7804TIP3    H129721  -2.727   3.276  -1.516
+ 7804TIP3    H229722  -2.876   3.262  -1.530
+ 7805TIP3   OH229723  -2.594   3.341  -1.692
+ 7805TIP3    H129724  -2.521   3.303  -1.744
+ 7805TIP3    H229725  -2.562   3.433  -1.680
+ 7806TIP3   OH229726  -4.107   3.288  -1.770
+ 7806TIP3    H129727  -4.180   3.259  -1.826
+ 7806TIP3    H229728  -4.045   3.213  -1.780
+ 7807TIP3   OH229729  -4.182   3.249  -2.189
+ 7807TIP3    H129730  -4.131   3.316  -2.238
+ 7807TIP3    H229731  -4.233   3.305  -2.128
+ 7808TIP3   OH229732  -3.615   3.283  -1.779
+ 7808TIP3    H129733  -3.524   3.314  -1.794
+ 7808TIP3    H229734  -3.617   3.276  -1.683
+ 7809TIP3   OH229735  -3.054   3.287  -1.638
+ 7809TIP3    H129736  -3.030   3.273  -1.731
+ 7809TIP3    H229737  -3.094   3.202  -1.615
+ 7810TIP3   OH229738  -2.945   3.288  -2.039
+ 7810TIP3    H129739  -3.026   3.339  -2.053
+ 7810TIP3    H229740  -2.980   3.198  -2.029
+ 7811TIP3   OH229741  -4.006   3.437  -2.335
+ 7811TIP3    H129742  -3.948   3.379  -2.387
+ 7811TIP3    H229743  -3.944   3.467  -2.265
+ 7812TIP3   OH229744  -3.500   3.451  -2.074
+ 7812TIP3    H129745  -3.464   3.394  -2.004
+ 7812TIP3    H229746  -3.478   3.538  -2.037
+ 7813TIP3   OH229747  -4.079   3.327  -0.818
+ 7813TIP3    H129748  -4.125   3.252  -0.777
+ 7813TIP3    H229749  -3.988   3.312  -0.787
+ 7814TIP3   OH229750  -3.844   3.264  -0.641
+ 7814TIP3    H129751  -3.762   3.228  -0.681
+ 7814TIP3    H229752  -3.879   3.185  -0.596
+ 7815TIP3   OH229753  -3.031   3.173  -0.625
+ 7815TIP3    H129754  -3.027   3.133  -0.536
+ 7815TIP3    H229755  -2.937   3.171  -0.650
+ 7816TIP3   OH229756  -1.272   4.203  -1.762
+ 7816TIP3    H129757  -1.304   4.294  -1.759
+ 7816TIP3    H229758  -1.346   4.159  -1.806
+ 7817TIP3   OH229759  -1.391   4.132  -1.432
+ 7817TIP3    H129760  -1.389   4.080  -1.351
+ 7817TIP3    H229761  -1.418   4.067  -1.498
+ 7818TIP3   OH229762  -2.149   4.082  -1.271
+ 7818TIP3    H129763  -2.150   4.007  -1.209
+ 7818TIP3    H229764  -2.074   4.133  -1.237
+ 7819TIP3   OH229765  -2.379   3.885  -1.878
+ 7819TIP3    H129766  -2.421   3.972  -1.872
+ 7819TIP3    H229767  -2.448   3.833  -1.921
+ 7820TIP3   OH229768  -2.284   4.135  -1.693
+ 7820TIP3    H129769  -2.285   4.055  -1.637
+ 7820TIP3    H229770  -2.204   4.120  -1.744
+ 7821TIP3   OH229771  -0.669   3.519  -1.311
+ 7821TIP3    H129772  -0.652   3.586  -1.243
+ 7821TIP3    H229773  -0.615   3.553  -1.384
+ 7822TIP3   OH229774  -1.208   3.804  -1.326
+ 7822TIP3    H129775  -1.197   3.708  -1.324
+ 7822TIP3    H229776  -1.222   3.820  -1.421
+ 7823TIP3   OH229777  -1.916   3.605  -1.618
+ 7823TIP3    H129778  -1.898   3.689  -1.664
+ 7823TIP3    H229779  -1.945   3.551  -1.694
+ 7824TIP3   OH229780  -1.125   3.628  -1.781
+ 7824TIP3    H129781  -1.066   3.581  -1.719
+ 7824TIP3    H229782  -1.062   3.666  -1.843
+ 7825TIP3   OH229783  -2.247   3.876  -1.568
+ 7825TIP3    H129784  -2.182   3.831  -1.512
+ 7825TIP3    H229785  -2.235   3.829  -1.653
+ 7826TIP3   OH229786  -1.705   4.018  -1.619
+ 7826TIP3    H129787  -1.636   3.960  -1.581
+ 7826TIP3    H229788  -1.757   3.955  -1.671
+ 7827TIP3   OH229789  -0.600   3.659  -1.064
+ 7827TIP3    H129790  -0.658   3.732  -1.095
+ 7827TIP3    H229791  -0.624   3.657  -0.970
+ 7828TIP3   OH229792  -2.036   3.483  -1.201
+ 7828TIP3    H129793  -2.074   3.533  -1.275
+ 7828TIP3    H229794  -2.101   3.502  -1.131
+ 7829TIP3   OH229795  -1.761   4.266  -1.225
+ 7829TIP3    H129796  -1.842   4.320  -1.220
+ 7829TIP3    H229797  -1.695   4.337  -1.233
+ 7830TIP3   OH229798  -0.938   3.543  -1.583
+ 7830TIP3    H129799  -0.988   3.488  -1.520
+ 7830TIP3    H229800  -0.895   3.608  -1.524
+ 7831TIP3   OH229801  -2.073   3.688  -1.408
+ 7831TIP3    H129802  -2.009   3.746  -1.362
+ 7831TIP3    H229803  -2.017   3.653  -1.481
+ 7832TIP3   OH229804  -0.931   3.461  -1.198
+ 7832TIP3    H129805  -1.009   3.500  -1.243
+ 7832TIP3    H229806  -0.860   3.480  -1.263
+ 7833TIP3   OH229807  -1.620   3.231  -1.491
+ 7833TIP3    H129808  -1.646   3.137  -1.498
+ 7833TIP3    H229809  -1.704   3.271  -1.458
+ 7834TIP3   OH229810  -1.421   4.144  -2.018
+ 7834TIP3    H129811  -1.487   4.176  -2.082
+ 7834TIP3    H229812  -1.344   4.132  -2.076
+ 7835TIP3   OH229813  -1.383   3.947  -2.305
+ 7835TIP3    H129814  -1.309   3.979  -2.250
+ 7835TIP3    H229815  -1.336   3.890  -2.367
+ 7836TIP3   OH229816  -0.669   4.055  -1.196
+ 7836TIP3    H129817  -0.735   4.126  -1.184
+ 7836TIP3    H229818  -0.618   4.095  -1.270
+ 7837TIP3   OH229819  -1.049   4.142  -1.919
+ 7837TIP3    H129820  -1.117   4.162  -1.851
+ 7837TIP3    H229821  -0.985   4.089  -1.867
+ 7838TIP3   OH229822  -1.077   3.980  -1.026
+ 7838TIP3    H129823  -1.075   4.058  -0.968
+ 7838TIP3    H229824  -1.133   4.016  -1.098
+ 7839TIP3   OH229825  -1.900   4.206  -1.725
+ 7839TIP3    H129826  -1.920   4.179  -1.816
+ 7839TIP3    H229827  -1.820   4.154  -1.706
+ 7840TIP3   OH229828  -1.847   4.069  -1.384
+ 7840TIP3    H129829  -1.788   4.072  -1.463
+ 7840TIP3    H229830  -1.812   4.142  -1.330
+ 7841TIP3   OH229831  -1.169   4.074  -2.155
+ 7841TIP3    H129832  -1.112   4.101  -2.080
+ 7841TIP3    H229833  -1.123   4.120  -2.230
+ 7842TIP3   OH229834  -2.058   4.146  -0.998
+ 7842TIP3    H129835  -2.047   4.211  -0.924
+ 7842TIP3    H229836  -2.155   4.139  -1.000
+ 7843TIP3   OH229837  -0.817   3.244  -2.209
+ 7843TIP3    H129838  -0.908   3.253  -2.175
+ 7843TIP3    H229839  -0.785   3.336  -2.205
+ 7844TIP3   OH229840  -2.016   4.092  -1.970
+ 7844TIP3    H129841  -2.027   4.167  -2.032
+ 7844TIP3    H229842  -2.069   4.023  -2.011
+ 7845TIP3   OH229843  -2.418   4.308  -1.096
+ 7845TIP3    H129844  -2.412   4.293  -1.192
+ 7845TIP3    H229845  -2.380   4.225  -1.060
+ 7846TIP3   OH229846  -0.879   3.838  -0.793
+ 7846TIP3    H129847  -0.930   3.876  -0.866
+ 7846TIP3    H229848  -0.874   3.744  -0.820
+ 7847TIP3   OH229849  -1.862   3.345  -1.398
+ 7847TIP3    H129850  -1.939   3.342  -1.458
+ 7847TIP3    H229851  -1.883   3.424  -1.347
+ 7848TIP3   OH229852  -1.425   3.306  -1.038
+ 7848TIP3    H129853  -1.372   3.254  -0.975
+ 7848TIP3    H229854  -1.515   3.272  -1.026
+ 7849TIP3   OH229855  -1.106   3.685  -0.985
+ 7849TIP3    H129856  -1.170   3.671  -0.912
+ 7849TIP3    H229857  -1.117   3.780  -1.004
+ 7850TIP3   OH229858  -1.029   4.176  -2.361
+ 7850TIP3    H129859  -1.037   4.159  -2.457
+ 7850TIP3    H229860  -0.940   4.215  -2.355
+ 7851TIP3   OH229861  -1.450   3.564  -2.309
+ 7851TIP3    H129862  -1.497   3.556  -2.225
+ 7851TIP3    H229863  -1.491   3.491  -2.359
+ 7852TIP3   OH229864  -1.875   3.824  -1.259
+ 7852TIP3    H129865  -1.937   3.839  -1.186
+ 7852TIP3    H229866  -1.867   3.914  -1.298
+ 7853TIP3   OH229867  -1.882   3.836  -1.773
+ 7853TIP3    H129868  -1.976   3.825  -1.793
+ 7853TIP3    H229869  -1.843   3.818  -1.862
+ 7854TIP3   OH229870  -1.327   3.895  -1.894
+ 7854TIP3    H129871  -1.376   3.968  -1.936
+ 7854TIP3    H229872  -1.262   3.872  -1.962
+ 7855TIP3   OH229873  -1.401   3.921  -0.752
+ 7855TIP3    H129874  -1.452   3.843  -0.721
+ 7855TIP3    H229875  -1.312   3.904  -0.716
+ 7856TIP3   OH229876  -1.236   3.834  -1.622
+ 7856TIP3    H129877  -1.268   3.885  -1.698
+ 7856TIP3    H229878  -1.213   3.751  -1.669
+ 7857TIP3   OH229879  -2.138   3.841  -1.083
+ 7857TIP3    H129880  -2.115   3.879  -0.998
+ 7857TIP3    H229881  -2.173   3.754  -1.057
+ 7858TIP3   OH229882  -1.804   3.614  -2.422
+ 7858TIP3    H129883  -1.834   3.573  -2.338
+ 7858TIP3    H229884  -1.883   3.609  -2.477
+ 7859TIP3   OH229885  -2.459   3.586  -1.714
+ 7859TIP3    H129886  -2.397   3.590  -1.638
+ 7859TIP3    H229887  -2.404   3.553  -1.786
+ 7860TIP3   OH229888  -2.301   3.633  -2.142
+ 7860TIP3    H129889  -2.243   3.679  -2.207
+ 7860TIP3    H229890  -2.369   3.701  -2.127
+ 7861TIP3   OH229891  -1.338   3.997  -1.175
+ 7861TIP3    H129892  -1.285   3.931  -1.225
+ 7861TIP3    H229893  -1.366   3.944  -1.098
+ 7862TIP3   OH229894  -1.602   3.593  -1.670
+ 7862TIP3    H129895  -1.697   3.585  -1.652
+ 7862TIP3    H229896  -1.564   3.573  -1.583
+ 7863TIP3   OH229897  -2.152   3.714  -1.801
+ 7863TIP3    H129898  -2.228   3.742  -1.854
+ 7863TIP3    H229899  -2.116   3.638  -1.851
+ 7864TIP3   OH229900  -1.785   3.766  -2.027
+ 7864TIP3    H129901  -1.690   3.742  -2.029
+ 7864TIP3    H229902  -1.799   3.814  -2.110
+ 7865TIP3   OH229903  -1.163   3.508  -1.368
+ 7865TIP3    H129904  -1.229   3.510  -1.296
+ 7865TIP3    H229905  -1.220   3.471  -1.439
+ 7866TIP3   OH229906  -1.945   3.881  -2.259
+ 7866TIP3    H129907  -1.996   3.840  -2.330
+ 7866TIP3    H229908  -1.860   3.896  -2.304
+ 7867TIP3   OH229909  -2.047   4.316  -0.792
+ 7867TIP3    H129910  -1.990   4.365  -0.729
+ 7867TIP3    H229911  -2.128   4.305  -0.737
+ 7868TIP3   OH229912  -1.503   3.851  -1.486
+ 7868TIP3    H129913  -1.436   3.806  -1.539
+ 7868TIP3    H229914  -1.517   3.788  -1.413
+ 7869TIP3   OH229915  -1.971   3.491  -1.876
+ 7869TIP3    H129916  -2.017   3.408  -1.861
+ 7869TIP3    H229917  -1.887   3.460  -1.915
+ 7870TIP3   OH229918  -1.608   3.692  -1.263
+ 7870TIP3    H129919  -1.684   3.753  -1.265
+ 7870TIP3    H229920  -1.557   3.721  -1.185
+ 7871TIP3   OH229921  -1.637   4.365  -2.050
+ 7871TIP3    H129922  -1.674   4.300  -2.112
+ 7871TIP3    H229923  -1.582   4.314  -1.989
+ 7872TIP3   OH229924  -0.844   4.266  -1.208
+ 7872TIP3    H129925  -0.821   4.312  -1.291
+ 7872TIP3    H229926  -0.939   4.256  -1.224
+ 7873TIP3   OH229927  -1.181   3.624  -2.306
+ 7873TIP3    H129928  -1.279   3.613  -2.302
+ 7873TIP3    H229929  -1.163   3.687  -2.234
+ 7874TIP3   OH229930  -1.111   3.798  -2.089
+ 7874TIP3    H129931  -1.023   3.781  -2.051
+ 7874TIP3    H229932  -1.099   3.884  -2.132
+ 7875TIP3   OH229933  -2.051   4.248  -1.505
+ 7875TIP3    H129934  -1.991   4.240  -1.582
+ 7875TIP3    H229935  -2.038   4.162  -1.462
+ 7876TIP3   OH229936  -2.344   4.079  -0.970
+ 7876TIP3    H129937  -2.336   4.042  -0.880
+ 7876TIP3    H229938  -2.420   4.031  -1.007
+ 7877TIP3   OH229939  -1.656   4.048  -0.765
+ 7877TIP3    H129940  -1.690   4.028  -0.854
+ 7877TIP3    H229941  -1.562   4.028  -0.776
+ 7878TIP3   OH229942  -0.649   3.797  -2.119
+ 7878TIP3    H129943  -0.705   3.779  -2.197
+ 7878TIP3    H229944  -0.637   3.893  -2.132
+ 7879TIP3   OH229945  -1.103   4.181  -1.340
+ 7879TIP3    H129946  -1.195   4.182  -1.373
+ 7879TIP3    H229947  -1.056   4.134  -1.411
+ 7880TIP3   OH229948  -2.250   4.096  -2.315
+ 7880TIP3    H129949  -2.188   4.153  -2.267
+ 7880TIP3    H229950  -2.333   4.113  -2.268
+ 7881TIP3   OH229951  -2.222   3.566  -1.001
+ 7881TIP3    H129952  -2.312   3.590  -1.030
+ 7881TIP3    H229953  -2.237   3.477  -0.964
+ 7882TIP3   OH229954  -2.072  -4.387  -2.131
+ 7882TIP3    H129955  -2.162  -4.352  -2.114
+ 7882TIP3    H229956  -2.025  -4.305  -2.153
+ 7883TIP3   OH229957  -1.324   3.550  -1.149
+ 7883TIP3    H129958  -1.263   3.575  -1.078
+ 7883TIP3    H229959  -1.374   3.476  -1.110
+ 7884TIP3   OH229960  -1.237   3.485  -2.030
+ 7884TIP3    H129961  -1.250   3.551  -2.099
+ 7884TIP3    H229962  -1.229   3.540  -1.950
+ 7885TIP3   OH229963  -1.521   3.691  -1.949
+ 7885TIP3    H129964  -1.445   3.743  -1.921
+ 7885TIP3    H229965  -1.552   3.652  -1.866
+ 7886TIP3   OH229966  -1.481   3.791  -1.011
+ 7886TIP3    H129967  -1.475   3.841  -0.928
+ 7886TIP3    H229968  -1.431   3.711  -0.991
+ 7887TIP3   OH229969  -1.405   3.395  -1.789
+ 7887TIP3    H129970  -1.486   3.448  -1.780
+ 7887TIP3    H229971  -1.396   3.394  -1.886
+ 7888TIP3   OH229972  -1.886   3.502  -2.186
+ 7888TIP3    H129973  -1.879   3.573  -2.120
+ 7888TIP3    H229974  -1.813   3.443  -2.153
+ 7889TIP3   OH229975  -0.855   3.583  -0.925
+ 7889TIP3    H129976  -0.951   3.598  -0.939
+ 7889TIP3    H229977  -0.831   3.562  -1.016
+ 7890TIP3   OH229978  -1.001   3.967  -1.530
+ 7890TIP3    H129979  -1.087   3.925  -1.551
+ 7890TIP3    H229980  -0.957   3.898  -1.476
+ 7891TIP3   OH229981  -2.236   3.799  -2.361
+ 7891TIP3    H129982  -2.218   3.894  -2.344
+ 7891TIP3    H229983  -2.320   3.802  -2.407
+ 7892TIP3   OH229984  -2.143   3.305  -1.484
+ 7892TIP3    H129985  -2.157   3.304  -1.581
+ 7892TIP3    H229986  -2.176   3.218  -1.457
+ 7893TIP3   OH229987  -2.292   4.306  -0.679
+ 7893TIP3    H129988  -2.315   4.212  -0.678
+ 7893TIP3    H229989  -2.372   4.351  -0.707
+ 7894TIP3   OH229990  -1.702   4.328  -0.726
+ 7894TIP3    H129991  -1.701   4.346  -0.823
+ 7894TIP3    H229992  -1.666   4.238  -0.723
+ 7895TIP3   OH229993  -1.099  -4.376  -0.952
+ 7895TIP3    H129994  -1.020  -4.330  -0.986
+ 7895TIP3    H229995  -1.168  -4.312  -0.972
+ 7896TIP3   OH229996  -2.235   4.023  -0.707
+ 7896TIP3    H129997  -2.156   3.966  -0.714
+ 7896TIP3    H229998  -2.233   4.045  -0.612
+ 7897TIP3   OH229999  -1.777   4.161  -2.199
+ 7897TIP3    H130000  -1.840   4.117  -2.142
+ 7897TIP3    H230001  -1.760   4.094  -2.267
+ 7898TIP3   OH230002  -1.862   3.933  -0.966
+ 7898TIP3    H130003  -1.918   4.011  -0.951
+ 7898TIP3    H230004  -1.798   3.968  -1.032
+ 7899TIP3   OH230005  -1.693   3.959  -2.372
+ 7899TIP3    H130006  -1.695   3.970  -2.469
+ 7899TIP3    H230007  -1.597   3.955  -2.355
+ 7900TIP3   OH230008  -1.332   4.215  -0.610
+ 7900TIP3    H130009  -1.246   4.197  -0.649
+ 7900TIP3    H230010  -1.366   4.127  -0.591
+ 7901TIP3   OH230011  -0.760   4.189  -2.451
+ 7901TIP3    H130012  -0.774   4.184  -2.547
+ 7901TIP3    H230013  -0.761   4.286  -2.432
+ 7902TIP3   OH230014  -1.805   3.663  -0.856
+ 7902TIP3    H130015  -1.798   3.598  -0.929
+ 7902TIP3    H230016  -1.824   3.745  -0.905
+ 7903TIP3   OH230017  -1.771   3.510  -1.112
+ 7903TIP3    H130018  -1.718   3.563  -1.174
+ 7903TIP3    H230019  -1.861   3.515  -1.148
+ 7904TIP3   OH230020  -1.621   4.067  -1.079
+ 7904TIP3    H130021  -1.537   4.055  -1.127
+ 7904TIP3    H230022  -1.656   4.148  -1.120
+ 7905TIP3   OH230023  -1.157   3.849  -0.593
+ 7905TIP3    H130024  -1.136   3.755  -0.581
+ 7905TIP3    H230025  -1.069   3.888  -0.598
+ 7906TIP3   OH230026  -1.063   4.137  -0.757
+ 7906TIP3    H130027  -1.086   4.209  -0.821
+ 7906TIP3    H230028  -0.972   4.116  -0.787
+ 7907TIP3   OH230029  -1.989   3.850  -0.675
+ 7907TIP3    H130030  -2.039   3.766  -0.678
+ 7907TIP3    H230031  -1.907   3.826  -0.721
+ 7908TIP3   OH230032  -1.701   3.243  -1.074
+ 7908TIP3    H130033  -1.715   3.339  -1.092
+ 7908TIP3    H230034  -1.769   3.203  -1.131
+ 7909TIP3   OH230035  -1.571   3.700  -0.698
+ 7909TIP3    H130036  -1.607   3.680  -0.609
+ 7909TIP3    H230037  -1.651   3.682  -0.752
+ 7910TIP3   OH230038  -1.319   3.606  -0.810
+ 7910TIP3    H130039  -1.407   3.612  -0.769
+ 7910TIP3    H230040  -1.274   3.543  -0.752
+ 7911TIP3   OH230041  -1.133   3.453  -0.637
+ 7911TIP3    H130042  -1.152   3.358  -0.621
+ 7911TIP3    H230043  -1.153   3.494  -0.551
+ 7912TIP3   OH230044  -2.116   3.594  -0.692
+ 7912TIP3    H130045  -2.125   3.526  -0.760
+ 7912TIP3    H230046  -2.141   3.545  -0.611
+ 7913TIP3   OH230047  -1.717   3.191  -0.794
+ 7913TIP3    H130048  -1.654   3.117  -0.789
+ 7913TIP3    H230049  -1.719   3.208  -0.890
+ 7914TIP3   OH230050  -1.623   3.377  -0.606
+ 7914TIP3    H130051  -1.653   3.319  -0.679
+ 7914TIP3    H230052  -1.690   3.447  -0.606
+ 7915TIP3   OH230053  -0.682   4.361  -2.012
+ 7915TIP3    H130054  -0.586   4.360  -2.025
+ 7915TIP3    H230055  -0.699   4.279  -1.964
+ 7916TIP3   OH230056  -0.645   4.132  -1.848
+ 7916TIP3    H130057  -0.723   4.088  -1.808
+ 7916TIP3    H230058  -0.590   4.152  -1.770
+ 7917TIP3   OH230059  -0.626   4.094  -2.195
+ 7917TIP3    H130060  -0.690   4.116  -2.266
+ 7917TIP3    H230061  -0.642   4.167  -2.134
+ 7918TIP3   OH230062  -0.798   3.842  -2.361
+ 7918TIP3    H130063  -0.781   3.906  -2.432
+ 7918TIP3    H230064  -0.824   3.762  -2.411
+ 7919TIP3   OH230065  -0.870   3.965  -1.772
+ 7919TIP3    H130066  -0.875   3.870  -1.787
+ 7919TIP3    H230067  -0.908   3.973  -1.681
+ 7920TIP3   OH230068  -2.385   4.187  -1.374
+ 7920TIP3    H130069  -2.375   4.203  -1.469
+ 7920TIP3    H230070  -2.294   4.160  -1.349
+ 7921TIP3   OH230071  -0.784   4.159  -0.856
+ 7921TIP3    H130072  -0.712   4.101  -0.823
+ 7921TIP3    H230073  -0.742   4.245  -0.874
+ 7922TIP3   OH230074  -0.644   3.966  -0.732
+ 7922TIP3    H130075  -0.725   3.913  -0.752
+ 7922TIP3    H230076  -0.576   3.897  -0.730
+ 7923TIP3   OH230077  -0.854   3.577  -2.444
+ 7923TIP3    H130078  -0.800   3.528  -2.379
+ 7923TIP3    H230079  -0.937   3.527  -2.449
+ 7924TIP3   OH230080  -0.872   3.706  -1.946
+ 7924TIP3    H130081  -0.849   3.611  -1.942
+ 7924TIP3    H230082  -0.792   3.742  -1.988
+ 7925TIP3   OH230083  -0.850   3.764  -1.403
+ 7925TIP3    H130084  -0.754   3.780  -1.405
+ 7925TIP3    H230085  -0.868   3.772  -1.307
+ 7926TIP3   OH230086  -0.833   3.837  -1.121
+ 7926TIP3    H130087  -0.920   3.874  -1.096
+ 7926TIP3    H230088  -0.783   3.918  -1.144
+ 7927TIP3   OH230089  -2.387   3.716  -0.752
+ 7927TIP3    H130090  -2.293   3.690  -0.752
+ 7927TIP3    H230091  -2.430   3.629  -0.746
+ 7928TIP3   OH230092  -0.578   3.254  -0.593
+ 7928TIP3    H130093  -0.537   3.184  -0.647
+ 7928TIP3    H230094  -0.575   3.331  -0.652
+ 7929TIP3   OH230095  -0.824   3.426  -1.949
+ 7929TIP3    H130096  -0.823   3.396  -1.857
+ 7929TIP3    H230097  -0.904   3.379  -1.982
+ 7930TIP3   OH230098  -2.309   3.547  -1.472
+ 7930TIP3    H130099  -2.261   3.462  -1.467
+ 7930TIP3    H230100  -2.240   3.608  -1.440
+ 7931TIP3   OH230101  -2.454   3.815  -1.367
+ 7931TIP3    H130102  -2.394   3.812  -1.444
+ 7931TIP3    H230103  -2.422   3.894  -1.322
+ 7932TIP3   OH230104  -0.640   3.458  -0.769
+ 7932TIP3    H130105  -0.727   3.500  -0.762
+ 7932TIP3    H230106  -0.655   3.403  -0.848
+ 7933TIP3   OH230107  -0.630   3.474  -2.280
+ 7933TIP3    H130108  -0.600   3.396  -2.328
+ 7933TIP3    H230109  -0.549   3.529  -2.276
+ 7934TIP3   OH230110  -2.404   3.443  -1.967
+ 7934TIP3    H130111  -2.499   3.454  -1.985
+ 7934TIP3    H230112  -2.362   3.508  -2.028
+ 7935TIP3   OH230113  -2.400   3.336  -1.149
+ 7935TIP3    H130114  -2.472   3.312  -1.089
+ 7935TIP3    H230115  -2.448   3.390  -1.214
+ 7936TIP3   OH230116  -0.752   3.281  -0.970
+ 7936TIP3    H130117  -0.833   3.303  -1.020
+ 7936TIP3    H230118  -0.733   3.191  -1.003
+ 7937TIP3   OH230119  -1.408   3.424  -1.505
+ 7937TIP3    H130120  -1.482   3.361  -1.501
+ 7937TIP3    H230121  -1.374   3.407  -1.594
+ 7938TIP3   OH230122  -0.914   3.230  -1.477
+ 7938TIP3    H130123  -0.842   3.279  -1.521
+ 7938TIP3    H230124  -0.992   3.256  -1.530
+ 7939TIP3   OH230125  -0.703   3.341  -1.683
+ 7939TIP3    H130126  -0.636   3.304  -1.743
+ 7939TIP3    H230127  -0.679   3.435  -1.679
+ 7940TIP3   OH230128  -2.181   3.299  -1.760
+ 7940TIP3    H130129  -2.262   3.287  -1.812
+ 7940TIP3    H230130  -2.130   3.220  -1.784
+ 7941TIP3   OH230131  -2.294   3.251  -2.181
+ 7941TIP3    H130132  -2.240   3.316  -2.229
+ 7941TIP3    H230133  -2.334   3.306  -2.111
+ 7942TIP3   OH230134  -1.750   3.280  -1.753
+ 7942TIP3    H130135  -1.689   3.310  -1.824
+ 7942TIP3    H230136  -1.694   3.272  -1.676
+ 7943TIP3   OH230137  -1.146   3.279  -1.630
+ 7943TIP3    H130138  -1.159   3.293  -1.724
+ 7943TIP3    H230139  -1.211   3.209  -1.612
+ 7944TIP3   OH230140  -1.051   3.286  -2.041
+ 7944TIP3    H130141  -1.129   3.347  -2.047
+ 7944TIP3    H230142  -1.096   3.201  -2.030
+ 7945TIP3   OH230143  -2.118   3.431  -2.331
+ 7945TIP3    H130144  -2.057   3.379  -2.386
+ 7945TIP3    H230145  -2.056   3.467  -2.264
+ 7946TIP3   OH230146  -2.197   3.322  -0.817
+ 7946TIP3    H130147  -2.235   3.242  -0.779
+ 7946TIP3    H230148  -2.104   3.314  -0.789
+ 7947TIP3   OH230149  -1.959   3.264  -0.641
+ 7947TIP3    H130150  -1.876   3.231  -0.682
+ 7947TIP3    H230151  -1.991   3.183  -0.599
+ 7948TIP3   OH230152  -1.144   3.170  -0.627
+ 7948TIP3    H130153  -1.143   3.135  -0.537
+ 7948TIP3    H230154  -1.049   3.173  -0.650
+ 7949TIP3   OH230155   0.611   4.200  -1.765
+ 7949TIP3    H130156   0.584   4.291  -1.748
+ 7949TIP3    H230157   0.537   4.169  -1.819
+ 7950TIP3   OH230158   0.500   4.130  -1.434
+ 7950TIP3    H130159   0.497   4.083  -1.348
+ 7950TIP3    H230160   0.463   4.065  -1.495
+ 7951TIP3   OH230161  -0.260   4.081  -1.273
+ 7951TIP3    H130162  -0.264   4.008  -1.209
+ 7951TIP3    H230163  -0.191   4.135  -1.234
+ 7952TIP3   OH230164  -0.491   3.886  -1.880
+ 7952TIP3    H130165  -0.536   3.972  -1.871
+ 7952TIP3    H230166  -0.561   3.832  -1.916
+ 7953TIP3   OH230167  -0.397   4.137  -1.691
+ 7953TIP3    H130168  -0.399   4.056  -1.636
+ 7953TIP3    H230169  -0.318   4.119  -1.744
+ 7954TIP3   OH230170   1.212   3.523  -1.316
+ 7954TIP3    H130171   1.234   3.582  -1.242
+ 7954TIP3    H230172   1.276   3.554  -1.383
+ 7955TIP3   OH230173   0.680   3.805  -1.330
+ 7955TIP3    H130174   0.692   3.709  -1.322
+ 7955TIP3    H230175   0.662   3.814  -1.425
+ 7956TIP3   OH230176  -0.026   3.605  -1.620
+ 7956TIP3    H130177  -0.015   3.691  -1.665
+ 7956TIP3    H230178  -0.062   3.553  -1.694
+ 7957TIP3   OH230179  -0.361   3.879  -1.568
+ 7957TIP3    H130180  -0.298   3.832  -1.511
+ 7957TIP3    H230181  -0.352   3.829  -1.652
+ 7958TIP3   OH230182   0.185   4.017  -1.622
+ 7958TIP3    H130183   0.250   3.957  -1.581
+ 7958TIP3    H230184   0.127   3.955  -1.668
+ 7959TIP3   OH230185   1.284   3.659  -1.066
+ 7959TIP3    H130186   1.225   3.732  -1.094
+ 7959TIP3    H230187   1.264   3.657  -0.971
+ 7960TIP3   OH230188  -0.149   3.483  -1.204
+ 7960TIP3    H130189  -0.187   3.538  -1.274
+ 7960TIP3    H230190  -0.214   3.498  -1.132
+ 7961TIP3   OH230191   0.124   4.266  -1.228
+ 7961TIP3    H130192   0.043   4.319  -1.217
+ 7961TIP3    H230193   0.189   4.338  -1.229
+ 7962TIP3   OH230194   0.925   3.570  -1.615
+ 7962TIP3    H130195   0.888   3.497  -1.564
+ 7962TIP3    H230196   0.975   3.616  -1.546
+ 7963TIP3   OH230197  -0.187   3.687  -1.408
+ 7963TIP3    H130198  -0.125   3.746  -1.361
+ 7963TIP3    H230199  -0.129   3.654  -1.480
+ 7964TIP3   OH230200   0.953   3.462  -1.200
+ 7964TIP3    H130201   0.876   3.501  -1.245
+ 7964TIP3    H230202   1.025   3.480  -1.264
+ 7965TIP3   OH230203   0.248   3.214  -1.508
+ 7965TIP3    H130204   0.252   3.124  -1.473
+ 7965TIP3    H230205   0.174   3.255  -1.458
+ 7966TIP3   OH230206   0.480   4.134  -2.024
+ 7966TIP3    H130207   0.414   4.197  -2.059
+ 7966TIP3    H230208   0.542   4.131  -2.098
+ 7967TIP3   OH230209   0.506   3.942  -2.299
+ 7967TIP3    H130210   0.585   3.969  -2.248
+ 7967TIP3    H230211   0.548   3.899  -2.375
+ 7968TIP3   OH230212   1.216   4.054  -1.197
+ 7968TIP3    H130213   1.151   4.126  -1.182
+ 7968TIP3    H230214   1.268   4.095  -1.269
+ 7969TIP3   OH230215   0.828   4.137  -1.924
+ 7969TIP3    H130216   0.764   4.168  -1.856
+ 7969TIP3    H230217   0.895   4.094  -1.870
+ 7970TIP3   OH230218   0.808   3.980  -1.026
+ 7970TIP3    H130219   0.812   4.056  -0.965
+ 7970TIP3    H230220   0.754   4.021  -1.097
+ 7971TIP3   OH230221  -0.020   4.199  -1.723
+ 7971TIP3    H130222  -0.034   4.178  -1.817
+ 7971TIP3    H230223   0.066   4.157  -1.707
+ 7972TIP3   OH230224   0.044   4.066  -1.386
+ 7972TIP3    H130225   0.100   4.077  -1.465
+ 7972TIP3    H230226   0.072   4.141  -1.330
+ 7973TIP3   OH230227   0.738   4.013  -2.148
+ 7973TIP3    H130228   0.780   4.063  -2.074
+ 7973TIP3    H230229   0.778   4.063  -2.223
+ 7974TIP3   OH230230  -0.174   4.147  -0.999
+ 7974TIP3    H130231  -0.161   4.210  -0.925
+ 7974TIP3    H230232  -0.271   4.141  -1.001
+ 7975TIP3   OH230233   1.067   3.247  -2.210
+ 7975TIP3    H130234   0.980   3.259  -2.168
+ 7975TIP3    H230235   1.103   3.338  -2.214
+ 7976TIP3   OH230236  -0.124   4.088  -1.976
+ 7976TIP3    H130237  -0.141   4.167  -2.031
+ 7976TIP3    H230238  -0.188   4.024  -2.009
+ 7977TIP3   OH230239  -0.517   4.310  -1.097
+ 7977TIP3    H130240  -0.529   4.290  -1.191
+ 7977TIP3    H230241  -0.494   4.222  -1.060
+ 7978TIP3   OH230242   1.007   3.837  -0.792
+ 7978TIP3    H130243   0.957   3.876  -0.865
+ 7978TIP3    H230244   1.013   3.744  -0.820
+ 7979TIP3   OH230245   0.023   3.346  -1.400
+ 7979TIP3    H130246  -0.057   3.346  -1.455
+ 7979TIP3    H230247   0.006   3.424  -1.345
+ 7980TIP3   OH230248   0.461   3.303  -1.041
+ 7980TIP3    H130249   0.514   3.255  -0.975
+ 7980TIP3    H230250   0.371   3.272  -1.025
+ 7981TIP3   OH230251   0.775   3.685  -0.989
+ 7981TIP3    H130252   0.717   3.670  -0.913
+ 7981TIP3    H230253   0.769   3.782  -1.003
+ 7982TIP3   OH230254   0.850   4.162  -2.347
+ 7982TIP3    H130255   0.840   4.157  -2.444
+ 7982TIP3    H230256   0.934   4.211  -2.340
+ 7983TIP3   OH230257   0.467   3.549  -2.311
+ 7983TIP3    H130258   0.405   3.551  -2.237
+ 7983TIP3    H230259   0.417   3.493  -2.373
+ 7984TIP3   OH230260   0.010   3.823  -1.259
+ 7984TIP3    H130261  -0.050   3.838  -1.184
+ 7984TIP3    H230262   0.019   3.914  -1.297
+ 7985TIP3   OH230263   0.004   3.833  -1.775
+ 7985TIP3    H130264  -0.092   3.828  -1.790
+ 7985TIP3    H230265   0.037   3.817  -1.865
+ 7986TIP3   OH230266   0.605   3.877  -1.926
+ 7986TIP3    H130267   0.544   3.953  -1.926
+ 7986TIP3    H230268   0.651   3.898  -2.009
+ 7987TIP3   OH230269   0.484   3.920  -0.755
+ 7987TIP3    H130270   0.434   3.843  -0.721
+ 7987TIP3    H230271   0.573   3.905  -0.716
+ 7988TIP3   OH230272   0.656   3.808  -1.632
+ 7988TIP3    H130273   0.631   3.867  -1.705
+ 7988TIP3    H230274   0.662   3.723  -1.676
+ 7989TIP3   OH230275  -0.250   3.839  -1.084
+ 7989TIP3    H130276  -0.233   3.881  -0.998
+ 7989TIP3    H230277  -0.288   3.754  -1.057
+ 7990TIP3   OH230278   0.088   3.600  -2.420
+ 7990TIP3    H130279   0.047   3.565  -2.339
+ 7990TIP3    H230280   0.010   3.620  -2.474
+ 7991TIP3   OH230281  -0.571   3.596  -1.716
+ 7991TIP3    H130282  -0.511   3.588  -1.639
+ 7991TIP3    H230283  -0.523   3.552  -1.788
+ 7992TIP3   OH230284  -0.410   3.635  -2.143
+ 7992TIP3    H130285  -0.359   3.683  -2.210
+ 7992TIP3    H230286  -0.482   3.698  -2.126
+ 7993TIP3   OH230287   0.543   3.996  -1.178
+ 7993TIP3    H130288   0.602   3.932  -1.224
+ 7993TIP3    H230289   0.521   3.947  -1.097
+ 7994TIP3   OH230290   0.283   3.594  -1.669
+ 7994TIP3    H130291   0.187   3.593  -1.652
+ 7994TIP3    H230292   0.318   3.574  -1.581
+ 7995TIP3   OH230293  -0.263   3.717  -1.804
+ 7995TIP3    H130294  -0.345   3.745  -1.850
+ 7995TIP3    H230295  -0.236   3.638  -1.853
+ 7996TIP3   OH230296   0.100   3.747  -2.039
+ 7996TIP3    H130297   0.196   3.761  -2.032
+ 7996TIP3    H230298   0.073   3.809  -2.110
+ 7997TIP3   OH230299   0.715   3.508  -1.371
+ 7997TIP3    H130300   0.656   3.509  -1.293
+ 7997TIP3    H230301   0.655   3.471  -1.437
+ 7998TIP3   OH230302  -0.053   3.875  -2.257
+ 7998TIP3    H130303  -0.111   3.847  -2.330
+ 7998TIP3    H230304   0.028   3.897  -2.307
+ 7999TIP3   OH230305  -0.160   4.316  -0.793
+ 7999TIP3    H130306  -0.105   4.365  -0.729
+ 7999TIP3    H230307  -0.242   4.304  -0.739
+ 8000TIP3   OH230308   0.392   3.847  -1.493
+ 8000TIP3    H130309   0.461   3.794  -1.534
+ 8000TIP3    H230310   0.371   3.794  -1.413
+ 8001TIP3   OH230311  -0.096   3.483  -1.867
+ 8001TIP3    H130312  -0.145   3.400  -1.854
+ 8001TIP3    H230313  -0.017   3.452  -1.914
+ 8002TIP3   OH230314   0.282   3.699  -1.270
+ 8002TIP3    H130315   0.202   3.755  -1.264
+ 8002TIP3    H230316   0.331   3.722  -1.189
+ 8003TIP3   OH230317   0.290   4.334  -2.067
+ 8003TIP3    H130318   0.216   4.291  -2.114
+ 8003TIP3    H230319   0.267   4.325  -1.974
+ 8004TIP3   OH230320   1.041   4.265  -1.207
+ 8004TIP3    H130321   1.067   4.312  -1.288
+ 8004TIP3    H230322   0.946   4.256  -1.225
+ 8005TIP3   OH230323   0.711   3.656  -2.215
+ 8005TIP3    H130324   0.629   3.637  -2.266
+ 8005TIP3    H230325   0.730   3.747  -2.244
+ 8006TIP3   OH230326  -0.164   4.251  -1.502
+ 8006TIP3    H130327  -0.106   4.239  -1.581
+ 8006TIP3    H230328  -0.157   4.163  -1.461
+ 8007TIP3   OH230329  -0.461   4.077  -0.971
+ 8007TIP3    H130330  -0.452   4.043  -0.880
+ 8007TIP3    H230331  -0.538   4.030  -1.006
+ 8008TIP3   OH230332   0.229   4.048  -0.765
+ 8008TIP3    H130333   0.195   4.027  -0.854
+ 8008TIP3    H230334   0.324   4.028  -0.776
+ 8009TIP3   OH230335   1.233   3.793  -2.111
+ 8009TIP3    H130336   1.176   3.771  -2.187
+ 8009TIP3    H230337   1.240   3.889  -2.126
+ 8010TIP3   OH230338   0.782   4.173  -1.339
+ 8010TIP3    H130339   0.692   4.180  -1.374
+ 8010TIP3    H230340   0.832   4.140  -1.415
+ 8011TIP3   OH230341  -0.363   4.094  -2.313
+ 8011TIP3    H130342  -0.305   4.155  -2.266
+ 8011TIP3    H230343  -0.449   4.110  -2.269
+ 8012TIP3   OH230344  -0.336   3.563  -1.005
+ 8012TIP3    H130345  -0.427   3.590  -1.029
+ 8012TIP3    H230346  -0.351   3.477  -0.961
+ 8013TIP3   OH230347  -0.185  -4.387  -2.128
+ 8013TIP3    H130348  -0.276  -4.353  -2.115
+ 8013TIP3    H230349  -0.140  -4.305  -2.154
+ 8014TIP3   OH230350   0.561   3.547  -1.151
+ 8014TIP3    H130351   0.621   3.579  -1.081
+ 8014TIP3    H230352   0.513   3.475  -1.107
+ 8015TIP3   OH230353   0.628   3.525  -1.985
+ 8015TIP3    H130354   0.643   3.564  -2.074
+ 8015TIP3    H230355   0.716   3.519  -1.949
+ 8016TIP3   OH230356   0.363   3.698  -1.929
+ 8016TIP3    H130357   0.447   3.746  -1.921
+ 8016TIP3    H230358   0.337   3.682  -1.837
+ 8017TIP3   OH230359   0.406   3.789  -1.012
+ 8017TIP3    H130360   0.408   3.841  -0.929
+ 8017TIP3    H230361   0.456   3.710  -0.986
+ 8018TIP3   OH230362   0.424   3.393  -1.834
+ 8018TIP3    H130363   0.395   3.460  -1.770
+ 8018TIP3    H230364   0.495   3.441  -1.881
+ 8019TIP3   OH230365  -0.003   3.493  -2.180
+ 8019TIP3    H130366   0.000   3.572  -2.124
+ 8019TIP3    H230367   0.080   3.448  -2.155
+ 8020TIP3   OH230368   1.030   3.585  -0.925
+ 8020TIP3    H130369   0.934   3.596  -0.940
+ 8020TIP3    H230370   1.056   3.562  -1.015
+ 8021TIP3   OH230371   0.891   3.963  -1.551
+ 8021TIP3    H130372   0.803   3.921  -1.553
+ 8021TIP3    H230373   0.937   3.907  -1.486
+ 8022TIP3   OH230374  -0.350   3.800  -2.361
+ 8022TIP3    H130375  -0.336   3.895  -2.344
+ 8022TIP3    H230376  -0.433   3.800  -2.409
+ 8023TIP3   OH230377  -0.254   3.299  -1.490
+ 8023TIP3    H130378  -0.271   3.296  -1.586
+ 8023TIP3    H230379  -0.292   3.215  -1.459
+ 8024TIP3   OH230380  -0.404   4.307  -0.680
+ 8024TIP3    H130381  -0.430   4.213  -0.675
+ 8024TIP3    H230382  -0.485   4.353  -0.703
+ 8025TIP3   OH230383   0.183   4.329  -0.726
+ 8025TIP3    H130384   0.185   4.346  -0.823
+ 8025TIP3    H230385   0.220   4.239  -0.721
+ 8026TIP3   OH230386   0.787  -4.377  -0.953
+ 8026TIP3    H130387   0.866  -4.330  -0.985
+ 8026TIP3    H230388   0.718  -4.312  -0.972
+ 8027TIP3   OH230389  -0.349   4.023  -0.708
+ 8027TIP3    H130390  -0.271   3.966  -0.714
+ 8027TIP3    H230391  -0.347   4.046  -0.613
+ 8028TIP3   OH230392   0.108   4.160  -2.190
+ 8028TIP3    H130393   0.039   4.114  -2.140
+ 8028TIP3    H230394   0.126   4.099  -2.263
+ 8029TIP3   OH230395   0.025   3.932  -0.968
+ 8029TIP3    H130396  -0.033   4.008  -0.950
+ 8029TIP3    H230397   0.088   3.971  -1.032
+ 8030TIP3   OH230398   0.192   3.956  -2.374
+ 8030TIP3    H130399   0.190   3.971  -2.470
+ 8030TIP3    H230400   0.288   3.962  -2.356
+ 8031TIP3   OH230401   0.552   4.215  -0.617
+ 8031TIP3    H130402   0.641   4.196  -0.648
+ 8031TIP3    H230403   0.520   4.130  -0.587
+ 8032TIP3   OH230404   1.113   4.188  -2.451
+ 8032TIP3    H130405   1.115   4.183  -2.547
+ 8032TIP3    H230406   1.120   4.284  -2.432
+ 8033TIP3   OH230407   0.081   3.664  -0.856
+ 8033TIP3    H130408   0.088   3.598  -0.928
+ 8033TIP3    H230409   0.060   3.745  -0.905
+ 8034TIP3   OH230410   0.115   3.509  -1.115
+ 8034TIP3    H130411   0.165   3.566  -1.176
+ 8034TIP3    H230412   0.023   3.517  -1.147
+ 8035TIP3   OH230413   0.264   4.065  -1.081
+ 8035TIP3    H130414   0.349   4.056  -1.127
+ 8035TIP3    H230415   0.230   4.148  -1.119
+ 8036TIP3   OH230416   0.728   3.849  -0.593
+ 8036TIP3    H130417   0.750   3.755  -0.580
+ 8036TIP3    H230418   0.817   3.888  -0.598
+ 8037TIP3   OH230419   0.824   4.136  -0.759
+ 8037TIP3    H130420   0.800   4.208  -0.821
+ 8037TIP3    H230421   0.915   4.119  -0.787
+ 8038TIP3   OH230422  -0.104   3.851  -0.677
+ 8038TIP3    H130423  -0.154   3.767  -0.678
+ 8038TIP3    H230424  -0.021   3.825  -0.720
+ 8039TIP3   OH230425   0.186   3.244  -1.077
+ 8039TIP3    H130426   0.170   3.339  -1.093
+ 8039TIP3    H230427   0.115   3.203  -1.128
+ 8040TIP3   OH230428   0.314   3.700  -0.698
+ 8040TIP3    H130429   0.280   3.681  -0.609
+ 8040TIP3    H230430   0.234   3.681  -0.751
+ 8041TIP3   OH230431   0.565   3.605  -0.812
+ 8041TIP3    H130432   0.478   3.612  -0.768
+ 8041TIP3    H230433   0.612   3.543  -0.752
+ 8042TIP3   OH230434   0.751   3.454  -0.638
+ 8042TIP3    H130435   0.736   3.359  -0.623
+ 8042TIP3    H230436   0.733   3.494  -0.551
+ 8043TIP3   OH230437  -0.232   3.594  -0.693
+ 8043TIP3    H130438  -0.240   3.524  -0.759
+ 8043TIP3    H230439  -0.254   3.546  -0.611
+ 8044TIP3   OH230440   0.170   3.191  -0.794
+ 8044TIP3    H130441   0.230   3.115  -0.788
+ 8044TIP3    H230442   0.170   3.207  -0.890
+ 8045TIP3   OH230443   0.265   3.379  -0.609
+ 8045TIP3    H130444   0.233   3.319  -0.680
+ 8045TIP3    H230445   0.196   3.447  -0.606
+ 8046TIP3   OH230446   1.204   4.360  -2.004
+ 8046TIP3    H130447   1.298   4.360  -2.028
+ 8046TIP3    H230448   1.188   4.273  -1.965
+ 8047TIP3   OH230449   1.232   4.124  -1.843
+ 8047TIP3    H130450   1.166   4.076  -1.791
+ 8047TIP3    H230451   1.296   4.152  -1.775
+ 8048TIP3   OH230452   1.257   4.094  -2.193
+ 8048TIP3    H130453   1.193   4.113  -2.264
+ 8048TIP3    H230454   1.246   4.172  -2.137
+ 8049TIP3   OH230455   1.088   3.842  -2.362
+ 8049TIP3    H130456   1.105   3.907  -2.431
+ 8049TIP3    H230457   1.063   3.763  -2.414
+ 8050TIP3   OH230458   0.995   3.879  -1.790
+ 8050TIP3    H130459   1.048   3.825  -1.730
+ 8050TIP3    H230460   0.966   3.948  -1.727
+ 8051TIP3   OH230461  -0.500   4.186  -1.375
+ 8051TIP3    H130462  -0.490   4.203  -1.470
+ 8051TIP3    H230463  -0.409   4.162  -1.349
+ 8052TIP3   OH230464   1.100   4.160  -0.852
+ 8052TIP3    H130465   1.173   4.101  -0.823
+ 8052TIP3    H230466   1.143   4.244  -0.876
+ 8053TIP3   OH230467   1.242   3.965  -0.734
+ 8053TIP3    H130468   1.161   3.912  -0.751
+ 8053TIP3    H230469   1.311   3.896  -0.730
+ 8054TIP3   OH230470   1.028   3.578  -2.442
+ 8054TIP3    H130471   1.087   3.526  -2.386
+ 8054TIP3    H230472   0.949   3.522  -2.453
+ 8055TIP3   OH230473   1.035   3.766  -1.411
+ 8055TIP3    H130474   1.133   3.777  -1.405
+ 8055TIP3    H230475   1.014   3.768  -1.316
+ 8056TIP3   OH230476   1.051   3.837  -1.123
+ 8056TIP3    H130477   0.965   3.875  -1.097
+ 8056TIP3    H230478   1.102   3.917  -1.146
+ 8057TIP3   OH230479  -0.501   3.716  -0.754
+ 8057TIP3    H130480  -0.407   3.690  -0.750
+ 8057TIP3    H230481  -0.545   3.630  -0.746
+ 8058TIP3   OH230482   1.307   3.253  -0.592
+ 8058TIP3    H130483   1.349   3.183  -0.646
+ 8058TIP3    H230484   1.310   3.330  -0.652
+ 8059TIP3   OH230485   1.017   3.493  -1.931
+ 8059TIP3    H130486   1.065   3.450  -1.857
+ 8059TIP3    H230487   0.981   3.415  -1.977
+ 8060TIP3   OH230488  -0.421   3.547  -1.477
+ 8060TIP3    H130489  -0.376   3.462  -1.464
+ 8060TIP3    H230490  -0.356   3.609  -1.439
+ 8061TIP3   OH230491  -0.566   3.813  -1.366
+ 8061TIP3    H130492  -0.511   3.814  -1.446
+ 8061TIP3    H230493  -0.537   3.894  -1.321
+ 8062TIP3   OH230494   1.246   3.458  -0.768
+ 8062TIP3    H130495   1.158   3.500  -0.762
+ 8062TIP3    H230496   1.233   3.402  -0.847
+ 8063TIP3   OH230497   1.253   3.473  -2.282
+ 8063TIP3    H130498   1.286   3.395  -2.329
+ 8063TIP3    H230499   1.333   3.527  -2.274
+ 8064TIP3   OH230500  -0.518   3.451  -1.961
+ 8064TIP3    H130501  -0.613   3.452  -1.982
+ 8064TIP3    H230502  -0.479   3.509  -2.028
+ 8065TIP3   OH230503  -0.517   3.331  -1.155
+ 8065TIP3    H130504  -0.585   3.312  -1.088
+ 8065TIP3    H230505  -0.565   3.391  -1.214
+ 8066TIP3   OH230506   1.133   3.280  -0.970
+ 8066TIP3    H130507   1.051   3.299  -1.020
+ 8066TIP3    H230508   1.154   3.190  -1.002
+ 8067TIP3   OH230509   0.470   3.420  -1.521
+ 8067TIP3    H130510   0.398   3.355  -1.515
+ 8067TIP3    H230511   0.531   3.376  -1.582
+ 8068TIP3   OH230512   0.970   3.239  -1.477
+ 8068TIP3    H130513   1.046   3.281  -1.520
+ 8068TIP3    H230514   0.896   3.263  -1.534
+ 8069TIP3   OH230515   1.167   3.353  -1.706
+ 8069TIP3    H130516   1.240   3.300  -1.743
+ 8069TIP3    H230517   1.213   3.437  -1.686
+ 8070TIP3   OH230518  -0.271   3.261  -1.774
+ 8070TIP3    H130519  -0.359   3.260  -1.817
+ 8070TIP3    H230520  -0.246   3.169  -1.781
+ 8071TIP3   OH230521  -0.405   3.248  -2.178
+ 8071TIP3    H130522  -0.358   3.315  -2.231
+ 8071TIP3    H230523  -0.452   3.304  -2.113
+ 8072TIP3   OH230524   0.151   3.280  -1.783
+ 8072TIP3    H130525   0.244   3.299  -1.801
+ 8072TIP3    H230526   0.155   3.253  -1.691
+ 8073TIP3   OH230527   0.712   3.289  -1.646
+ 8073TIP3    H130528   0.746   3.262  -1.732
+ 8073TIP3    H230529   0.678   3.204  -1.612
+ 8074TIP3   OH230530   0.827   3.295  -2.040
+ 8074TIP3    H130531   0.741   3.326  -2.072
+ 8074TIP3    H230532   0.805   3.202  -2.019
+ 8075TIP3   OH230533  -0.239   3.430  -2.335
+ 8075TIP3    H130534  -0.176   3.378  -2.388
+ 8075TIP3    H230535  -0.180   3.465  -2.265
+ 8076TIP3   OH230536   0.276   3.450  -2.078
+ 8076TIP3    H130537   0.304   3.394  -2.004
+ 8076TIP3    H230538   0.288   3.538  -2.040
+ 8077TIP3   OH230539  -0.310   3.323  -0.818
+ 8077TIP3    H130540  -0.351   3.243  -0.780
+ 8077TIP3    H230541  -0.219   3.312  -0.785
+ 8078TIP3   OH230542  -0.074   3.263  -0.643
+ 8078TIP3    H130543   0.009   3.227  -0.681
+ 8078TIP3    H230544  -0.108   3.185  -0.597
+ 8079TIP3   OH230545   0.740   3.174  -0.625
+ 8079TIP3    H130546   0.743   3.132  -0.536
+ 8079TIP3    H230547   0.834   3.171  -0.650
+ 8080TIP3   OH230548   2.501   4.207  -1.765
+ 8080TIP3    H130549   2.464   4.295  -1.759
+ 8080TIP3    H230550   2.426   4.159  -1.803
+ 8081TIP3   OH230551   2.382   4.130  -1.433
+ 8081TIP3    H130552   2.382   4.081  -1.350
+ 8081TIP3    H230553   2.352   4.064  -1.496
+ 8082TIP3   OH230554   1.625   4.082  -1.270
+ 8082TIP3    H130555   1.620   4.006  -1.209
+ 8082TIP3    H230556   1.696   4.134  -1.230
+ 8083TIP3   OH230557   1.389   3.879  -1.878
+ 8083TIP3    H130558   1.354   3.970  -1.874
+ 8083TIP3    H230559   1.321   3.834  -1.929
+ 8084TIP3   OH230560   1.479   4.132  -1.700
+ 8084TIP3    H130561   1.483   4.057  -1.637
+ 8084TIP3    H230562   1.566   4.125  -1.740
+ 8085TIP3   OH230563   3.094   3.528  -1.318
+ 8085TIP3    H130564   3.121   3.580  -1.240
+ 8085TIP3    H230565   3.161   3.555  -1.383
+ 8086TIP3   OH230566   2.562   3.806  -1.327
+ 8086TIP3    H130567   2.576   3.710  -1.320
+ 8086TIP3    H230568   2.552   3.816  -1.423
+ 8087TIP3   OH230569   1.858   3.606  -1.618
+ 8087TIP3    H130570   1.872   3.691  -1.664
+ 8087TIP3    H230571   1.823   3.553  -1.693
+ 8088TIP3   OH230572   2.643   3.621  -1.789
+ 8088TIP3    H130573   2.699   3.579  -1.720
+ 8088TIP3    H230574   2.709   3.672  -1.838
+ 8089TIP3   OH230575   1.523   3.875  -1.567
+ 8089TIP3    H130576   1.589   3.832  -1.510
+ 8089TIP3    H230577   1.537   3.828  -1.651
+ 8090TIP3   OH230578   2.068   4.018  -1.620
+ 8090TIP3    H130579   2.135   3.959  -1.580
+ 8090TIP3    H230580   2.013   3.954  -1.668
+ 8091TIP3   OH230581   3.169   3.661  -1.066
+ 8091TIP3    H130582   3.106   3.731  -1.091
+ 8091TIP3    H230583   3.158   3.659  -0.970
+ 8092TIP3   OH230584   1.737   3.484  -1.204
+ 8092TIP3    H130585   1.697   3.536  -1.275
+ 8092TIP3    H230586   1.672   3.498  -1.132
+ 8093TIP3   OH230587   2.010   4.266  -1.227
+ 8093TIP3    H130588   1.929   4.318  -1.215
+ 8093TIP3    H230589   2.075   4.338  -1.229
+ 8094TIP3   OH230590   2.826   3.547  -1.584
+ 8094TIP3    H130591   2.788   3.486  -1.520
+ 8094TIP3    H230592   2.876   3.607  -1.526
+ 8095TIP3   OH230593   1.697   3.690  -1.410
+ 8095TIP3    H130594   1.761   3.746  -1.361
+ 8095TIP3    H230595   1.756   3.653  -1.479
+ 8096TIP3   OH230596   2.839   3.463  -1.200
+ 8096TIP3    H130597   2.762   3.501  -1.245
+ 8096TIP3    H230598   2.911   3.481  -1.262
+ 8097TIP3   OH230599   2.151   3.234  -1.496
+ 8097TIP3    H130600   2.130   3.139  -1.499
+ 8097TIP3    H230601   2.069   3.271  -1.457
+ 8098TIP3   OH230602   2.348   4.144  -2.021
+ 8098TIP3    H130603   2.283   4.180  -2.083
+ 8098TIP3    H230604   2.425   4.134  -2.079
+ 8099TIP3   OH230605   2.389   3.942  -2.301
+ 8099TIP3    H130606   2.464   3.979  -2.249
+ 8099TIP3    H230607   2.437   3.892  -2.368
+ 8100TIP3   OH230608   3.104   4.057  -1.198
+ 8100TIP3    H130609   3.036   4.127  -1.184
+ 8100TIP3    H230610   3.152   4.096  -1.273
+ 8101TIP3   OH230611   2.724   4.140  -1.917
+ 8101TIP3    H130612   2.655   4.162  -1.851
+ 8101TIP3    H230613   2.786   4.087  -1.865
+ 8102TIP3   OH230614   2.694   3.981  -1.027
+ 8102TIP3    H130615   2.696   4.056  -0.966
+ 8102TIP3    H230616   2.637   4.018  -1.096
+ 8103TIP3   OH230617   1.876   4.208  -1.725
+ 8103TIP3    H130618   1.855   4.181  -1.816
+ 8103TIP3    H230619   1.954   4.153  -1.705
+ 8104TIP3   OH230620   1.922   4.073  -1.389
+ 8104TIP3    H130621   1.984   4.075  -1.464
+ 8104TIP3    H230622   1.958   4.143  -1.331
+ 8105TIP3   OH230623   2.604   4.073  -2.155
+ 8105TIP3    H130624   2.660   4.101  -2.079
+ 8105TIP3    H230625   2.649   4.122  -2.229
+ 8106TIP3   OH230626   1.712   4.148  -1.000
+ 8106TIP3    H130627   1.724   4.211  -0.925
+ 8106TIP3    H230628   1.615   4.139  -0.999
+ 8107TIP3   OH230629   2.952   3.247  -2.212
+ 8107TIP3    H130630   2.864   3.256  -2.171
+ 8107TIP3    H230631   2.986   3.338  -2.206
+ 8108TIP3   OH230632   1.761   4.089  -1.974
+ 8108TIP3    H130633   1.745   4.167  -2.031
+ 8108TIP3    H230634   1.699   4.024  -2.011
+ 8109TIP3   OH230635   1.356   4.308  -1.096
+ 8109TIP3    H130636   1.359   4.292  -1.191
+ 8109TIP3    H230637   1.391   4.224  -1.060
+ 8110TIP3   OH230638   2.891   3.837  -0.793
+ 8110TIP3    H130639   2.843   3.874  -0.868
+ 8110TIP3    H230640   2.899   3.743  -0.819
+ 8111TIP3   OH230641   1.910   3.349  -1.403
+ 8111TIP3    H130642   1.827   3.342  -1.454
+ 8111TIP3    H230643   1.887   3.421  -1.343
+ 8112TIP3   OH230644   2.346   3.306  -1.039
+ 8112TIP3    H130645   2.400   3.254  -0.976
+ 8112TIP3    H230646   2.256   3.271  -1.026
+ 8113TIP3   OH230647   2.660   3.685  -0.989
+ 8113TIP3    H130648   2.602   3.670  -0.913
+ 8113TIP3    H230649   2.655   3.782  -1.003
+ 8114TIP3   OH230650   2.746   4.182  -2.358
+ 8114TIP3    H130651   2.724   4.162  -2.451
+ 8114TIP3    H230652   2.842   4.199  -2.368
+ 8115TIP3   OH230653   2.328   3.557  -2.312
+ 8115TIP3    H130654   2.277   3.544  -2.230
+ 8115TIP3    H230655   2.286   3.490  -2.369
+ 8116TIP3   OH230656   1.894   3.825  -1.261
+ 8116TIP3    H130657   1.836   3.838  -1.184
+ 8116TIP3    H230658   1.902   3.916  -1.297
+ 8117TIP3   OH230659   1.890   3.835  -1.775
+ 8117TIP3    H130660   1.794   3.827  -1.791
+ 8117TIP3    H230661   1.924   3.815  -1.864
+ 8118TIP3   OH230662   2.453   3.901  -1.893
+ 8118TIP3    H130663   2.404   3.974  -1.934
+ 8118TIP3    H230664   2.516   3.878  -1.963
+ 8119TIP3   OH230665   2.369   3.921  -0.753
+ 8119TIP3    H130666   2.320   3.843  -0.721
+ 8119TIP3    H230667   2.458   3.905  -0.716
+ 8120TIP3   OH230668   2.533   3.831  -1.620
+ 8120TIP3    H130669   2.505   3.884  -1.697
+ 8120TIP3    H230670   2.557   3.748  -1.666
+ 8121TIP3   OH230671   1.634   3.840  -1.084
+ 8121TIP3    H130672   1.655   3.879  -0.998
+ 8121TIP3    H230673   1.598   3.753  -1.058
+ 8122TIP3   OH230674   1.971   3.603  -2.422
+ 8122TIP3    H130675   1.935   3.567  -2.339
+ 8122TIP3    H230676   1.892   3.616  -2.475
+ 8123TIP3   OH230677   1.311   3.589  -1.712
+ 8123TIP3    H130678   1.373   3.591  -1.637
+ 8123TIP3    H230679   1.366   3.555  -1.784
+ 8124TIP3   OH230680   1.470   3.634  -2.139
+ 8124TIP3    H130681   1.525   3.681  -2.206
+ 8124TIP3    H230682   1.399   3.699  -2.125
+ 8125TIP3   OH230683   2.432   3.997  -1.176
+ 8125TIP3    H130684   2.486   3.930  -1.224
+ 8125TIP3    H230685   2.405   3.945  -1.098
+ 8126TIP3   OH230686   2.166   3.595  -1.671
+ 8126TIP3    H130687   2.072   3.590  -1.648
+ 8126TIP3    H230688   2.209   3.575  -1.586
+ 8127TIP3   OH230689   1.620   3.716  -1.803
+ 8127TIP3    H130690   1.542   3.744  -1.853
+ 8127TIP3    H230691   1.653   3.638  -1.852
+ 8128TIP3   OH230692   1.986   3.751  -2.036
+ 8128TIP3    H130693   2.083   3.758  -2.031
+ 8128TIP3    H230694   1.962   3.810  -2.109
+ 8129TIP3   OH230695   2.604   3.509  -1.370
+ 8129TIP3    H130696   2.542   3.509  -1.295
+ 8129TIP3    H230697   2.546   3.474  -1.440
+ 8130TIP3   OH230698   1.830   3.877  -2.258
+ 8130TIP3    H130699   1.774   3.844  -2.330
+ 8130TIP3    H230700   1.912   3.897  -2.306
+ 8131TIP3   OH230701   1.726   4.316  -0.793
+ 8131TIP3    H130702   1.780   4.365  -0.728
+ 8131TIP3    H230703   1.644   4.304  -0.740
+ 8132TIP3   OH230704   2.266   3.850  -1.489
+ 8132TIP3    H130705   2.342   3.808  -1.533
+ 8132TIP3    H230706   2.251   3.791  -1.413
+ 8133TIP3   OH230707   1.797   3.490  -1.873
+ 8133TIP3    H130708   1.743   3.411  -1.857
+ 8133TIP3    H230709   1.878   3.453  -1.909
+ 8134TIP3   OH230710   2.165   3.695  -1.266
+ 8134TIP3    H130711   2.087   3.753  -1.262
+ 8134TIP3    H230712   2.216   3.720  -1.186
+ 8135TIP3   OH230713   2.136   4.366  -2.052
+ 8135TIP3    H130714   2.095   4.300  -2.112
+ 8135TIP3    H230715   2.185   4.313  -1.988
+ 8136TIP3   OH230716   2.928   4.267  -1.208
+ 8136TIP3    H130717   2.950   4.311  -1.292
+ 8136TIP3    H230718   2.832   4.255  -1.223
+ 8137TIP3   OH230719   2.595   3.618  -2.299
+ 8137TIP3    H130720   2.497   3.613  -2.302
+ 8137TIP3    H230721   2.612   3.689  -2.234
+ 8138TIP3   OH230722   2.665   3.797  -2.090
+ 8138TIP3    H130723   2.753   3.782  -2.050
+ 8138TIP3    H230724   2.675   3.883  -2.133
+ 8139TIP3   OH230725   1.706   4.236  -1.516
+ 8139TIP3    H130726   1.777   4.235  -1.584
+ 8139TIP3    H230727   1.733   4.162  -1.459
+ 8140TIP3   OH230728   1.428   4.078  -0.971
+ 8140TIP3    H130729   1.436   4.043  -0.880
+ 8140TIP3    H230730   1.350   4.030  -1.006
+ 8141TIP3   OH230731   2.115   4.050  -0.766
+ 8141TIP3    H130732   2.082   4.027  -0.855
+ 8141TIP3    H230733   2.209   4.027  -0.775
+ 8142TIP3   OH230734   3.120   3.794  -2.120
+ 8142TIP3    H130735   3.066   3.777  -2.200
+ 8142TIP3    H230736   3.136   3.889  -2.130
+ 8143TIP3   OH230737   2.670   4.180  -1.345
+ 8143TIP3    H130738   2.577   4.177  -1.374
+ 8143TIP3    H230739   2.716   4.130  -1.414
+ 8144TIP3   OH230740   1.523   4.094  -2.313
+ 8144TIP3    H130741   1.582   4.155  -2.267
+ 8144TIP3    H230742   1.438   4.112  -2.269
+ 8145TIP3   OH230743   1.550   3.565  -1.004
+ 8145TIP3    H130744   1.459   3.589  -1.030
+ 8145TIP3    H230745   1.536   3.478  -0.963
+ 8146TIP3   OH230746   1.699  -4.387  -2.130
+ 8146TIP3    H130747   1.609  -4.352  -2.114
+ 8146TIP3    H230748   1.745  -4.305  -2.154
+ 8147TIP3   OH230749   2.446   3.549  -1.150
+ 8147TIP3    H130750   2.509   3.577  -1.081
+ 8147TIP3    H230751   2.399   3.475  -1.107
+ 8148TIP3   OH230752   2.510   3.492  -2.023
+ 8148TIP3    H130753   2.529   3.545  -2.102
+ 8148TIP3    H230754   2.557   3.542  -1.954
+ 8149TIP3   OH230755   2.252   3.694  -1.929
+ 8149TIP3    H130756   2.330   3.751  -1.912
+ 8149TIP3    H230757   2.222   3.674  -1.838
+ 8150TIP3   OH230758   2.293   3.792  -1.012
+ 8150TIP3    H130759   2.297   3.840  -0.927
+ 8150TIP3    H230760   2.340   3.710  -0.990
+ 8151TIP3   OH230761   2.309   3.394  -1.836
+ 8151TIP3    H130762   2.292   3.461  -1.768
+ 8151TIP3    H230763   2.383   3.434  -1.885
+ 8152TIP3   OH230764   1.883   3.495  -2.183
+ 8152TIP3    H130765   1.886   3.570  -2.122
+ 8152TIP3    H230766   1.964   3.446  -2.156
+ 8153TIP3   OH230767   2.915   3.585  -0.923
+ 8153TIP3    H130768   2.819   3.596  -0.941
+ 8153TIP3    H230769   2.944   3.560  -1.012
+ 8154TIP3   OH230770   2.777   3.967  -1.547
+ 8154TIP3    H130771   2.691   3.925  -1.558
+ 8154TIP3    H230772   2.823   3.903  -1.488
+ 8155TIP3   OH230773   1.534   3.799  -2.359
+ 8155TIP3    H130774   1.551   3.893  -2.344
+ 8155TIP3    H230775   1.453   3.800  -2.410
+ 8156TIP3   OH230776   1.630   3.304  -1.485
+ 8156TIP3    H130777   1.612   3.301  -1.581
+ 8156TIP3    H230778   1.598   3.217  -1.454
+ 8157TIP3   OH230779   1.482   4.306  -0.683
+ 8157TIP3    H130780   1.456   4.213  -0.674
+ 8157TIP3    H230781   1.400   4.353  -0.700
+ 8158TIP3   OH230782   2.070   4.329  -0.726
+ 8158TIP3    H130783   2.071   4.345  -0.823
+ 8158TIP3    H230784   2.105   4.238  -0.722
+ 8159TIP3   OH230785   2.672  -4.376  -0.954
+ 8159TIP3    H130786   2.751  -4.329  -0.984
+ 8159TIP3    H230787   2.603  -4.310  -0.970
+ 8160TIP3   OH230788   1.537   4.022  -0.708
+ 8160TIP3    H130789   1.616   3.965  -0.714
+ 8160TIP3    H230790   1.538   4.045  -0.613
+ 8161TIP3   OH230791   1.998   4.160  -2.196
+ 8161TIP3    H130792   1.929   4.119  -2.142
+ 8161TIP3    H230793   2.010   4.094  -2.267
+ 8162TIP3   OH230794   1.910   3.932  -0.969
+ 8162TIP3    H130795   1.854   4.010  -0.950
+ 8162TIP3    H230796   1.974   3.970  -1.032
+ 8163TIP3   OH230797   2.078   3.957  -2.373
+ 8163TIP3    H130798   2.075   3.971  -2.470
+ 8163TIP3    H230799   2.174   3.957  -2.356
+ 8164TIP3   OH230800   2.438   4.216  -0.614
+ 8164TIP3    H130801   2.526   4.195  -0.648
+ 8164TIP3    H230802   2.405   4.129  -0.587
+ 8165TIP3   OH230803   3.000   4.191  -2.447
+ 8165TIP3    H130804   2.999   4.174  -2.543
+ 8165TIP3    H230805   3.025   4.286  -2.442
+ 8166TIP3   OH230806   1.967   3.663  -0.856
+ 8166TIP3    H130807   1.973   3.597  -0.928
+ 8166TIP3    H230808   1.946   3.744  -0.905
+ 8167TIP3   OH230809   2.000   3.510  -1.112
+ 8167TIP3    H130810   2.052   3.562  -1.176
+ 8167TIP3    H230811   1.909   3.514  -1.148
+ 8168TIP3   OH230812   2.149   4.065  -1.081
+ 8168TIP3    H130813   2.234   4.054  -1.126
+ 8168TIP3    H230814   2.116   4.148  -1.120
+ 8169TIP3   OH230815   2.615   3.849  -0.592
+ 8169TIP3    H130816   2.635   3.755  -0.582
+ 8169TIP3    H230817   2.704   3.887  -0.598
+ 8170TIP3   OH230818   2.708   4.136  -0.758
+ 8170TIP3    H130819   2.686   4.208  -0.822
+ 8170TIP3    H230820   2.799   4.116  -0.785
+ 8171TIP3   OH230821   1.781   3.851  -0.678
+ 8171TIP3    H130822   1.732   3.767  -0.678
+ 8171TIP3    H230823   1.864   3.824  -0.720
+ 8172TIP3   OH230824   2.071   3.243  -1.075
+ 8172TIP3    H130825   2.054   3.338  -1.092
+ 8172TIP3    H230826   2.002   3.201  -1.129
+ 8173TIP3   OH230827   2.199   3.701  -0.698
+ 8173TIP3    H130828   2.164   3.681  -0.609
+ 8173TIP3    H230829   2.119   3.681  -0.751
+ 8174TIP3   OH230830   2.451   3.607  -0.810
+ 8174TIP3    H130831   2.364   3.611  -0.768
+ 8174TIP3    H230832   2.499   3.543  -0.753
+ 8175TIP3   OH230833   2.634   3.455  -0.639
+ 8175TIP3    H130834   2.623   3.359  -0.624
+ 8175TIP3    H230835   2.619   3.494  -0.551
+ 8176TIP3   OH230836   1.654   3.594  -0.692
+ 8176TIP3    H130837   1.646   3.524  -0.759
+ 8176TIP3    H230838   1.631   3.546  -0.610
+ 8177TIP3   OH230839   2.056   3.191  -0.794
+ 8177TIP3    H130840   2.116   3.115  -0.789
+ 8177TIP3    H230841   2.053   3.207  -0.891
+ 8178TIP3   OH230842   2.149   3.378  -0.607
+ 8178TIP3    H130843   2.121   3.319  -0.680
+ 8178TIP3    H230844   2.081   3.447  -0.608
+ 8179TIP3   OH230845   3.138   4.131  -2.169
+ 8179TIP3    H130846   3.085   4.100  -2.245
+ 8179TIP3    H230847   3.106   4.224  -2.171
+ 8180TIP3   OH230848   2.977   3.846  -2.362
+ 8180TIP3    H130849   2.992   3.904  -2.438
+ 8180TIP3    H230850   2.947   3.763  -2.404
+ 8181TIP3   OH230851   2.948   3.987  -1.781
+ 8181TIP3    H130852   2.931   3.893  -1.798
+ 8181TIP3    H230853   2.905   3.999  -1.694
+ 8182TIP3   OH230854   1.387   4.187  -1.375
+ 8182TIP3    H130855   1.397   4.204  -1.470
+ 8182TIP3    H230856   1.478   4.161  -1.349
+ 8183TIP3   OH230857   2.987   4.160  -0.853
+ 8183TIP3    H130858   3.058   4.099  -0.826
+ 8183TIP3    H230859   3.032   4.244  -0.871
+ 8184TIP3   OH230860   3.128   3.964  -0.734
+ 8184TIP3    H130861   3.048   3.909  -0.752
+ 8184TIP3    H230862   3.198   3.896  -0.732
+ 8185TIP3   OH230863   2.914   3.582  -2.438
+ 8185TIP3    H130864   2.974   3.529  -2.383
+ 8185TIP3    H230865   2.836   3.526  -2.449
+ 8186TIP3   OH230866   2.903   3.721  -1.939
+ 8186TIP3    H130867   2.919   3.625  -1.929
+ 8186TIP3    H230868   2.983   3.746  -1.989
+ 8187TIP3   OH230869   2.920   3.772  -1.405
+ 8187TIP3    H130870   3.018   3.778  -1.403
+ 8187TIP3    H230871   2.902   3.771  -1.309
+ 8188TIP3   OH230872   2.937   3.838  -1.121
+ 8188TIP3    H130873   2.851   3.875  -1.096
+ 8188TIP3    H230874   2.988   3.918  -1.144
+ 8189TIP3   OH230875   1.385   3.716  -0.754
+ 8189TIP3    H130876   1.479   3.690  -0.751
+ 8189TIP3    H230877   1.341   3.629  -0.746
+ 8190TIP3   OH230878   3.191   3.250  -0.593
+ 8190TIP3    H130879   3.233   3.182  -0.649
+ 8190TIP3    H230880   3.196   3.329  -0.650
+ 8191TIP3   OH230881   2.942   3.435  -1.949
+ 8191TIP3    H130882   2.957   3.398  -1.859
+ 8191TIP3    H230883   2.864   3.383  -1.977
+ 8192TIP3   OH230884   1.463   3.547  -1.474
+ 8192TIP3    H130885   1.509   3.462  -1.465
+ 8192TIP3    H230886   1.531   3.608  -1.440
+ 8193TIP3   OH230887   1.316   3.815  -1.371
+ 8193TIP3    H130888   1.380   3.815  -1.444
+ 8193TIP3    H230889   1.347   3.891  -1.320
+ 8194TIP3   OH230890   3.130   3.457  -0.766
+ 8194TIP3    H130891   3.042   3.500  -0.765
+ 8194TIP3    H230892   3.121   3.402  -0.846
+ 8195TIP3   OH230893   3.142   3.477  -2.283
+ 8195TIP3    H130894   3.171   3.395  -2.327
+ 8195TIP3    H230895   3.225   3.526  -2.276
+ 8196TIP3   OH230896   1.349   3.447  -1.973
+ 8196TIP3    H130897   1.261   3.480  -1.993
+ 8196TIP3    H230898   1.406   3.506  -2.027
+ 8197TIP3   OH230899   1.372   3.338  -1.148
+ 8197TIP3    H130900   1.301   3.309  -1.088
+ 8197TIP3    H230901   1.321   3.388  -1.214
+ 8198TIP3   OH230902   3.016   3.279  -0.968
+ 8198TIP3    H130903   2.936   3.296  -1.022
+ 8198TIP3    H230904   3.040   3.189  -1.000
+ 8199TIP3   OH230905   2.359   3.431  -1.525
+ 8199TIP3    H130906   2.291   3.362  -1.509
+ 8199TIP3    H230907   2.422   3.382  -1.582
+ 8200TIP3   OH230908   2.854   3.235  -1.476
+ 8200TIP3    H130909   2.932   3.276  -1.516
+ 8200TIP3    H230910   2.782   3.263  -1.535
+ 8201TIP3   OH230911   3.060   3.345  -1.698
+ 8201TIP3    H130912   3.135   3.299  -1.740
+ 8201TIP3    H230913   3.096   3.433  -1.680
+ 8202TIP3   OH230914   1.593   3.301  -1.770
+ 8202TIP3    H130915   1.506   3.283  -1.811
+ 8202TIP3    H230916   1.638   3.215  -1.782
+ 8203TIP3   OH230917   1.476   3.250  -2.178
+ 8203TIP3    H130918   1.528   3.316  -2.229
+ 8203TIP3    H230919   1.432   3.306  -2.112
+ 8204TIP3   OH230920   2.041   3.285  -1.780
+ 8204TIP3    H130921   2.133   3.313  -1.794
+ 8204TIP3    H230922   2.040   3.275  -1.684
+ 8205TIP3   OH230923   2.599   3.289  -1.641
+ 8205TIP3    H130924   2.629   3.269  -1.730
+ 8205TIP3    H230925   2.563   3.203  -1.613
+ 8206TIP3   OH230926   2.713   3.288  -2.041
+ 8206TIP3    H130927   2.630   3.338  -2.054
+ 8206TIP3    H230928   2.679   3.199  -2.025
+ 8207TIP3   OH230929   1.647   3.432  -2.334
+ 8207TIP3    H130930   1.707   3.377  -2.387
+ 8207TIP3    H230931   1.708   3.465  -2.266
+ 8208TIP3   OH230932   2.157   3.451  -2.075
+ 8208TIP3    H130933   2.193   3.393  -2.005
+ 8208TIP3    H230934   2.177   3.538  -2.036
+ 8209TIP3   OH230935   1.574   3.324  -0.815
+ 8209TIP3    H130936   1.535   3.243  -0.780
+ 8209TIP3    H230937   1.667   3.312  -0.788
+ 8210TIP3   OH230938   1.814   3.264  -0.641
+ 8210TIP3    H130939   1.895   3.229  -0.682
+ 8210TIP3    H230940   1.778   3.184  -0.599
+ 8211TIP3   OH230941   2.626   3.175  -0.623
+ 8211TIP3    H130942   2.631   3.133  -0.535
+ 8211TIP3    H230943   2.719   3.171  -0.652
+ 8212TIP3   OH230944   4.194   4.105  -1.412
+ 8212TIP3    H130945   4.276   4.126  -1.364
+ 8212TIP3    H230946   4.227   4.080  -1.499
+ 8213TIP3   OH230947   3.509   4.085  -1.271
+ 8213TIP3    H130948   3.504   4.007  -1.213
+ 8213TIP3    H230949   3.581   4.133  -1.227
+ 8214TIP3   OH230950   3.252   3.917  -1.895
+ 8214TIP3    H130951   3.188   3.953  -1.832
+ 8214TIP3    H230952   3.212   3.832  -1.916
+ 8215TIP3   OH230953   3.339   4.152  -1.735
+ 8215TIP3    H130954   3.320   4.082  -1.669
+ 8215TIP3    H230955   3.435   4.143  -1.735
+ 8216TIP3   OH230956   3.744   3.607  -1.619
+ 8216TIP3    H130957   3.758   3.693  -1.664
+ 8216TIP3    H230958   3.709   3.554  -1.693
+ 8217TIP3   OH230959   3.406   3.882  -1.571
+ 8217TIP3    H130960   3.472   3.843  -1.511
+ 8217TIP3    H230961   3.425   3.832  -1.653
+ 8218TIP3   OH230962   3.953   4.015  -1.619
+ 8218TIP3    H130963   4.026   3.960  -1.584
+ 8218TIP3    H230964   3.900   3.948  -1.665
+ 8219TIP3   OH230965   3.628   3.485  -1.204
+ 8219TIP3    H130966   3.585   3.536  -1.274
+ 8219TIP3    H230967   3.561   3.493  -1.132
+ 8220TIP3   OH230968   3.890   4.266  -1.222
+ 8220TIP3    H130969   3.811   4.322  -1.217
+ 8220TIP3    H230970   3.960   4.333  -1.220
+ 8221TIP3   OH230971   3.582   3.693  -1.411
+ 8221TIP3    H130972   3.648   3.747  -1.361
+ 8221TIP3    H230973   3.641   3.654  -1.478
+ 8222TIP3   OH230974   4.043   3.231  -1.490
+ 8222TIP3    H130975   4.015   3.137  -1.489
+ 8222TIP3    H230976   3.964   3.274  -1.452
+ 8223TIP3   OH230977   4.265   4.126  -2.026
+ 8223TIP3    H130978   4.197   4.192  -2.050
+ 8223TIP3    H230979   4.329   4.141  -2.096
+ 8224TIP3   OH230980   4.285   3.957  -2.296
+ 8224TIP3    H130981   4.372   3.962  -2.255
+ 8224TIP3    H230982   4.297   3.893  -2.367
+ 8225TIP3   OH230983   3.765   4.212  -1.729
+ 8225TIP3    H130984   3.742   4.173  -1.815
+ 8225TIP3    H230985   3.838   4.154  -1.700
+ 8226TIP3   OH230986   3.803   4.082  -1.394
+ 8226TIP3    H130987   3.872   4.073  -1.462
+ 8226TIP3    H230988   3.844   4.145  -1.332
+ 8227TIP3   OH230989   3.597   4.152  -1.003
+ 8227TIP3    H130990   3.610   4.212  -0.925
+ 8227TIP3    H230991   3.501   4.142  -1.000
+ 8228TIP3   OH230992   3.646   4.090  -1.973
+ 8228TIP3    H130993   3.631   4.166  -2.034
+ 8228TIP3    H230994   3.588   4.022  -2.009
+ 8229TIP3   OH230995   3.262   4.312  -1.100
+ 8229TIP3    H130996   3.238   4.286  -1.190
+ 8229TIP3    H230997   3.279   4.226  -1.057
+ 8230TIP3   OH230998   3.798   3.351  -1.406
+ 8230TIP3    H130999   3.714   3.341  -1.454
+ 8230TIP3    H231000   3.774   3.420  -1.343
+ 8231TIP3   OH231001   4.234   3.284  -0.977
+ 8231TIP3    H131002   4.244   3.212  -0.913
+ 8231TIP3    H231003   4.143   3.269  -1.008
+ 8232TIP3   OH231004   4.232   3.564  -2.307
+ 8232TIP3    H131005   4.171   3.548  -2.233
+ 8232TIP3    H231006   4.202   3.496  -2.369
+ 8233TIP3   OH231007   3.777   3.828  -1.261
+ 8233TIP3    H131008   3.721   3.837  -1.182
+ 8233TIP3    H231009   3.783   3.919  -1.294
+ 8234TIP3   OH231010   3.773   3.835  -1.776
+ 8234TIP3    H131011   3.677   3.826  -1.792
+ 8234TIP3    H231012   3.808   3.815  -1.864
+ 8235TIP3   OH231013   4.275   3.878  -1.831
+ 8235TIP3    H131014   4.271   3.974  -1.849
+ 8235TIP3    H231015   4.367   3.863  -1.804
+ 8236TIP3   OH231016   4.263   3.923  -0.706
+ 8236TIP3    H131017   4.197   3.852  -0.716
+ 8236TIP3    H231018   4.343   3.872  -0.731
+ 8237TIP3   OH231019   3.519   3.843  -1.081
+ 8237TIP3    H131020   3.543   3.876  -0.994
+ 8237TIP3    H231021   3.486   3.754  -1.059
+ 8238TIP3   OH231022   3.861   3.609  -2.421
+ 8238TIP3    H131023   3.823   3.569  -2.340
+ 8238TIP3    H231024   3.784   3.617  -2.479
+ 8239TIP3   OH231025   3.213   3.610  -1.724
+ 8239TIP3    H131026   3.261   3.592  -1.641
+ 8239TIP3    H231027   3.250   3.546  -1.787
+ 8240TIP3   OH231028   3.360   3.634  -2.142
+ 8240TIP3    H131029   3.413   3.681  -2.209
+ 8240TIP3    H231030   3.288   3.697  -2.128
+ 8241TIP3   OH231031   4.346   3.973  -1.142
+ 8241TIP3    H131032   4.378   3.902  -1.202
+ 8241TIP3    H231033   4.272   3.925  -1.100
+ 8242TIP3   OH231034   4.049   3.579  -1.668
+ 8242TIP3    H131035   3.955   3.584  -1.644
+ 8242TIP3    H231036   4.090   3.586  -1.580
+ 8243TIP3   OH231037   3.506   3.725  -1.814
+ 8243TIP3    H131038   3.418   3.733  -1.854
+ 8243TIP3    H231039   3.538   3.641  -1.853
+ 8244TIP3   OH231040   3.873   3.747  -2.039
+ 8244TIP3    H131041   3.969   3.760  -2.030
+ 8244TIP3    H231042   3.847   3.811  -2.108
+ 8245TIP3   OH231043   3.718   3.882  -2.260
+ 8245TIP3    H131044   3.662   3.844  -2.330
+ 8245TIP3    H231045   3.802   3.893  -2.307
+ 8246TIP3   OH231046   3.611   4.319  -0.795
+ 8246TIP3    H131047   3.668   4.360  -0.726
+ 8246TIP3    H231048   3.530   4.303  -0.741
+ 8247TIP3   OH231049   4.145   3.829  -1.527
+ 8247TIP3    H131050   4.215   3.781  -1.573
+ 8247TIP3    H231051   4.161   3.802  -1.434
+ 8248TIP3   OH231052   3.679   3.493  -1.873
+ 8248TIP3    H131053   3.623   3.415  -1.855
+ 8248TIP3    H231054   3.760   3.452  -1.906
+ 8249TIP3   OH231055   4.051   3.686  -1.263
+ 8249TIP3    H131056   3.978   3.749  -1.271
+ 8249TIP3    H231057   4.105   3.726  -1.192
+ 8250TIP3   OH231058   4.067   4.334  -2.064
+ 8250TIP3    H131059   3.994   4.290  -2.113
+ 8250TIP3    H231060   4.044   4.319  -1.972
+ 8251TIP3   OH231061   3.572   4.224  -1.537
+ 8251TIP3    H131062   3.656   4.231  -1.587
+ 8251TIP3    H231063   3.599   4.163  -1.465
+ 8252TIP3   OH231064   3.306   4.082  -0.966
+ 8252TIP3    H131065   3.324   4.042  -0.878
+ 8252TIP3    H231066   3.238   4.024  -1.003
+ 8253TIP3   OH231067   4.002   4.068  -0.755
+ 8253TIP3    H131068   3.954   4.009  -0.815
+ 8253TIP3    H231069   4.088   4.025  -0.748
+ 8254TIP3   OH231070   3.401   4.092  -2.309
+ 8254TIP3    H131071   3.467   4.149  -2.268
+ 8254TIP3    H231072   3.320   4.124  -2.266
+ 8255TIP3   OH231073   3.439   3.563  -1.009
+ 8255TIP3    H131074   3.347   3.588  -1.029
+ 8255TIP3    H231075   3.425   3.479  -0.961
+ 8256TIP3   OH231076   3.586  -4.386  -2.130
+ 8256TIP3    H131077   3.496  -4.349  -2.117
+ 8256TIP3    H231078   3.634  -4.307  -2.158
+ 8257TIP3   OH231079   4.339   3.590  -1.100
+ 8257TIP3    H131080   4.375   3.516  -1.052
+ 8257TIP3    H231081   4.272   3.549  -1.156
+ 8258TIP3   OH231082   4.135   3.675  -1.931
+ 8258TIP3    H131083   4.197   3.747  -1.904
+ 8258TIP3    H231084   4.099   3.656  -1.843
+ 8259TIP3   OH231085   4.176   3.793  -1.019
+ 8259TIP3    H131086   4.172   3.828  -0.929
+ 8259TIP3    H231087   4.236   3.717  -1.011
+ 8260TIP3   OH231088   4.193   3.389  -1.812
+ 8260TIP3    H131089   4.166   3.467  -1.758
+ 8260TIP3    H231090   4.271   3.424  -1.858
+ 8261TIP3   OH231091   3.769   3.496  -2.185
+ 8261TIP3    H131092   3.770   3.570  -2.122
+ 8261TIP3    H231093   3.848   3.446  -2.159
+ 8262TIP3   OH231094   3.423   3.800  -2.360
+ 8262TIP3    H131095   3.434   3.895  -2.343
+ 8262TIP3    H231096   3.341   3.797  -2.411
+ 8263TIP3   OH231097   3.518   3.303  -1.485
+ 8263TIP3    H131098   3.496   3.298  -1.580
+ 8263TIP3    H231099   3.484   3.218  -1.451
+ 8264TIP3   OH231100   3.366   4.306  -0.684
+ 8264TIP3    H131101   3.346   4.213  -0.665
+ 8264TIP3    H231102   3.281   4.346  -0.705
+ 8265TIP3   OH231103   3.960   4.332  -0.723
+ 8265TIP3    H131104   3.958   4.339  -0.820
+ 8265TIP3    H231105   3.986   4.238  -0.713
+ 8266TIP3   OH231106   3.430   4.017  -0.709
+ 8266TIP3    H131107   3.499   3.950  -0.711
+ 8266TIP3    H231108   3.434   4.044  -0.615
+ 8267TIP3   OH231109   3.876   4.163  -2.193
+ 8267TIP3    H131110   3.814   4.113  -2.140
+ 8267TIP3    H231111   3.900   4.100  -2.263
+ 8268TIP3   OH231112   3.798   3.944  -0.962
+ 8268TIP3    H131113   3.741   4.021  -0.948
+ 8268TIP3    H231114   3.861   3.977  -1.029
+ 8269TIP3   OH231115   3.977   3.957  -2.369
+ 8269TIP3    H131116   3.971   3.967  -2.466
+ 8269TIP3    H231117   4.073   3.969  -2.354
+ 8270TIP3   OH231118   4.287   4.197  -0.602
+ 8270TIP3    H131119   4.351   4.161  -0.664
+ 8270TIP3    H231120   4.235   4.118  -0.585
+ 8271TIP3   OH231121   3.863   3.671  -0.844
+ 8271TIP3    H131122   3.848   3.611  -0.918
+ 8271TIP3    H231123   3.821   3.754  -0.873
+ 8272TIP3   OH231124   3.886   3.511  -1.104
+ 8272TIP3    H131125   3.934   3.571  -1.165
+ 8272TIP3    H231126   3.794   3.515  -1.137
+ 8273TIP3   OH231127   4.058   4.062  -1.089
+ 8273TIP3    H131128   4.134   4.060  -1.149
+ 8273TIP3    H231129   4.018   4.148  -1.110
+ 8274TIP3   OH231130   3.973   3.251  -1.078
+ 8274TIP3    H131131   3.946   3.345  -1.089
+ 8274TIP3    H231132   3.903   3.206  -1.130
+ 8275TIP3   OH231133   4.102   3.692  -0.711
+ 8275TIP3    H131134   4.069   3.668  -0.623
+ 8275TIP3    H231135   4.020   3.676  -0.763
+ 8276TIP3   OH231136   3.535   3.608  -0.705
+ 8276TIP3    H131137   3.532   3.529  -0.760
+ 8276TIP3    H231138   3.521   3.573  -0.615
+ 8277TIP3   OH231139   3.941   3.190  -0.793
+ 8277TIP3    H131140   4.006   3.118  -0.791
+ 8277TIP3    H231141   3.940   3.211  -0.888
+ 8278TIP3   OH231142   4.043   3.370  -0.602
+ 8278TIP3    H131143   4.004   3.319  -0.676
+ 8278TIP3    H231144   3.979   3.444  -0.594
+ 8279TIP3   OH231145   3.274   4.190  -1.379
+ 8279TIP3    H131146   3.291   4.190  -1.474
+ 8279TIP3    H231147   3.361   4.162  -1.344
+ 8280TIP3   OH231148   3.270   3.713  -0.767
+ 8280TIP3    H131149   3.365   3.698  -0.746
+ 8280TIP3    H231150   3.233   3.626  -0.748
+ 8281TIP3   OH231151   3.348   3.548  -1.478
+ 8281TIP3    H131152   3.391   3.462  -1.464
+ 8281TIP3    H231153   3.415   3.608  -1.439
+ 8282TIP3   OH231154   3.202   3.816  -1.371
+ 8282TIP3    H131155   3.264   3.812  -1.445
+ 8282TIP3    H231156   3.237   3.891  -1.321
+ 8283TIP3   OH231157   3.249   3.449  -1.963
+ 8283TIP3    H131158   3.155   3.454  -1.985
+ 8283TIP3    H231159   3.291   3.507  -2.029
+ 8284TIP3   OH231160   3.258   3.343  -1.146
+ 8284TIP3    H131161   3.189   3.305  -1.090
+ 8284TIP3    H231162   3.204   3.384  -1.216
+ 8285TIP3   OH231163   4.263   3.398  -1.521
+ 8285TIP3    H131164   4.181   3.348  -1.508
+ 8285TIP3    H231165   4.296   3.359  -1.603
+ 8286TIP3   OH231166   3.482   3.302  -1.772
+ 8286TIP3    H131167   3.394   3.285  -1.812
+ 8286TIP3    H231168   3.523   3.214  -1.780
+ 8287TIP3   OH231169   3.360   3.251  -2.181
+ 8287TIP3    H131170   3.412   3.316  -2.231
+ 8287TIP3    H231171   3.322   3.304  -2.110
+ 8288TIP3   OH231172   3.932   3.286  -1.779
+ 8288TIP3    H131173   4.025   3.314  -1.786
+ 8288TIP3    H231174   3.924   3.275  -1.684
+ 8289TIP3   OH231175   3.533   3.433  -2.336
+ 8289TIP3    H131176   3.592   3.377  -2.388
+ 8289TIP3    H231177   3.594   3.465  -2.267
+ 8290TIP3   OH231178   4.066   3.451  -2.080
+ 8290TIP3    H131179   4.066   3.390  -2.005
+ 8290TIP3    H231180   4.061   3.537  -2.035
+ 8291TIP3   OH231181   3.458   3.331  -0.810
+ 8291TIP3    H131182   3.422   3.247  -0.778
+ 8291TIP3    H231183   3.551   3.322  -0.785
+ 8292TIP3   OH231184   3.698   3.261  -0.642
+ 8292TIP3    H131185   3.781   3.227  -0.681
+ 8292TIP3    H231186   3.663   3.181  -0.600
+ 8293TIP3   OH231187  -3.161  -3.367   0.145
+ 8293TIP3    H131188  -3.160  -3.271   0.155
+ 8293TIP3    H231189  -3.237  -3.379   0.086
+ 8294TIP3   OH231190  -3.277  -3.422   0.451
+ 8294TIP3    H131191  -3.276  -3.478   0.530
+ 8294TIP3    H231192  -3.302  -3.485   0.382
+ 8295TIP3   OH231193  -4.029  -3.463   0.616
+ 8295TIP3    H131194  -4.032  -3.537   0.679
+ 8295TIP3    H231195  -3.958  -3.409   0.654
+ 8296TIP3   OH231196  -2.908  -3.149   0.283
+ 8296TIP3    H131197  -2.944  -3.220   0.338
+ 8296TIP3    H231198  -2.876  -3.087   0.350
+ 8297TIP3   OH231199  -3.960  -3.003   0.467
+ 8297TIP3    H131200  -3.987  -3.092   0.440
+ 8297TIP3    H231201  -3.866  -3.017   0.485
+ 8298TIP3   OH231202  -4.214  -3.612  -0.107
+ 8298TIP3    H131203  -4.227  -3.536  -0.048
+ 8298TIP3    H231204  -4.306  -3.639  -0.121
+ 8299TIP3   OH231205  -4.204  -3.430   0.165
+ 8299TIP3    H131206  -4.188  -3.488   0.241
+ 8299TIP3    H231207  -4.120  -3.383   0.156
+ 8300TIP3   OH231208  -3.203  -2.614   0.340
+ 8300TIP3    H131209  -3.143  -2.683   0.307
+ 8300TIP3    H231210  -3.227  -2.649   0.426
+ 8301TIP3   OH231211  -3.426  -3.172   0.508
+ 8301TIP3    H131212  -3.393  -3.244   0.451
+ 8301TIP3    H231213  -3.345  -3.155   0.559
+ 8302TIP3   OH231214  -2.563  -4.013   0.554
+ 8302TIP3    H131215  -2.532  -3.982   0.640
+ 8302TIP3    H231216  -2.496  -3.974   0.496
+ 8303TIP3   OH231217  -3.100  -3.740   0.560
+ 8303TIP3    H131218  -3.077  -3.835   0.561
+ 8303TIP3    H231219  -3.105  -3.724   0.464
+ 8304TIP3   OH231220  -3.802  -3.941   0.270
+ 8304TIP3    H131221  -3.783  -3.857   0.224
+ 8304TIP3    H231222  -3.832  -3.995   0.195
+ 8305TIP3   OH231223  -3.011  -3.922   0.102
+ 8305TIP3    H131224  -2.950  -3.964   0.166
+ 8305TIP3    H231225  -2.948  -3.877   0.044
+ 8306TIP3   OH231226  -4.139  -3.663   0.320
+ 8306TIP3    H131227  -4.080  -3.705   0.385
+ 8306TIP3    H231228  -4.120  -3.716   0.241
+ 8307TIP3   OH231229  -3.593  -3.526   0.264
+ 8307TIP3    H131230  -3.522  -3.580   0.301
+ 8307TIP3    H231231  -3.643  -3.593   0.214
+ 8308TIP3   OH231232  -2.472  -3.841   0.819
+ 8308TIP3    H131233  -2.560  -3.803   0.803
+ 8308TIP3    H231234  -2.486  -3.904   0.890
+ 8309TIP3   OH231235  -3.917  -4.051   0.689
+ 8309TIP3    H131236  -3.957  -4.010   0.612
+ 8309TIP3    H231237  -3.987  -4.034   0.756
+ 8310TIP3   OH231238  -3.172  -3.084   0.023
+ 8310TIP3    H131239  -3.200  -3.103  -0.067
+ 8310TIP3    H231240  -3.215  -2.998   0.041
+ 8311TIP3   OH231241  -3.626  -3.270   0.695
+ 8311TIP3    H131242  -3.698  -3.209   0.720
+ 8311TIP3    H231243  -3.562  -3.210   0.651
+ 8312TIP3   OH231244  -2.823  -4.015   0.305
+ 8312TIP3    H131245  -2.873  -4.058   0.376
+ 8312TIP3    H231246  -2.769  -3.952   0.355
+ 8313TIP3   OH231247  -3.958  -3.850   0.476
+ 8313TIP3    H131248  -3.893  -3.793   0.521
+ 8313TIP3    H231249  -3.902  -3.888   0.405
+ 8314TIP3   OH231250  -3.828  -3.083   0.768
+ 8314TIP3    H131251  -3.829  -2.992   0.735
+ 8314TIP3    H231252  -3.916  -3.088   0.809
+ 8315TIP3   OH231253  -4.183  -3.119  -0.142
+ 8315TIP3    H131254  -4.264  -3.101  -0.194
+ 8315TIP3    H231255  -4.192  -3.058  -0.067
+ 8316TIP3   OH231256  -2.852  -2.968   0.533
+ 8316TIP3    H131257  -2.948  -2.954   0.533
+ 8316TIP3    H231258  -2.821  -2.883   0.496
+ 8317TIP3   OH231259  -2.807  -4.111   0.702
+ 8317TIP3    H131260  -2.887  -4.076   0.660
+ 8317TIP3    H231261  -2.739  -4.096   0.634
+ 8318TIP3   OH231262  -3.496   4.381   0.415
+ 8318TIP3    H131263  -3.502   4.285   0.415
+ 8318TIP3    H231264  -3.586   4.412   0.437
+ 8319TIP3   OH231265  -3.020  -2.773   0.189
+ 8319TIP3    H131266  -2.972  -2.852   0.159
+ 8319TIP3    H231267  -2.951  -2.704   0.179
+ 8320TIP3   OH231268  -2.876  -2.987   0.052
+ 8320TIP3    H131269  -2.925  -3.034  -0.018
+ 8320TIP3    H231270  -2.881  -3.051   0.125
+ 8321TIP3   OH231271  -2.723  -3.105   0.901
+ 8321TIP3    H131272  -2.731  -3.169   0.827
+ 8321TIP3    H231273  -2.709  -3.022   0.853
+ 8322TIP3   OH231274  -3.297  -3.415  -0.130
+ 8322TIP3    H131275  -3.361  -3.353  -0.169
+ 8322TIP3    H231276  -3.223  -3.409  -0.194
+ 8323TIP3   OH231277  -3.267  -3.596  -0.425
+ 8323TIP3    H131278  -3.198  -3.565  -0.363
+ 8323TIP3    H231279  -3.214  -3.653  -0.483
+ 8324TIP3   OH231280  -2.546  -3.487   0.699
+ 8324TIP3    H131281  -2.617  -3.421   0.702
+ 8324TIP3    H231282  -2.496  -3.458   0.620
+ 8325TIP3   OH231283  -2.944  -3.416  -0.022
+ 8325TIP3    H131284  -3.012  -3.393   0.046
+ 8325TIP3    H231285  -2.882  -3.470   0.030
+ 8326TIP3   OH231286  -2.961  -3.562   0.861
+ 8326TIP3    H131287  -2.954  -3.481   0.914
+ 8326TIP3    H231288  -3.024  -3.531   0.794
+ 8327TIP3   OH231289  -3.783  -3.337   0.155
+ 8327TIP3    H131290  -3.815  -3.381   0.074
+ 8327TIP3    H231291  -3.718  -3.401   0.188
+ 8328TIP3   OH231292  -3.649  -2.999   0.430
+ 8328TIP3    H131293  -3.657  -3.035   0.341
+ 8328TIP3    H231294  -3.568  -3.044   0.462
+ 8329TIP3   OH231295  -3.728  -3.454   0.503
+ 8329TIP3    H131296  -3.670  -3.453   0.425
+ 8329TIP3    H231297  -3.686  -3.389   0.563
+ 8330TIP3   OH231298  -3.135  -2.904   0.562
+ 8330TIP3    H131299  -3.129  -2.837   0.632
+ 8330TIP3    H231300  -3.154  -2.986   0.610
+ 8331TIP3   OH231301  -3.642  -3.026   0.988
+ 8331TIP3    H131302  -3.694  -2.958   1.036
+ 8331TIP3    H231303  -3.706  -3.051   0.918
+ 8332TIP3   OH231304  -3.049  -3.471  -0.276
+ 8332TIP3    H131305  -3.001  -3.443  -0.195
+ 8332TIP3    H231306  -2.999  -3.420  -0.345
+ 8333TIP3   OH231307  -3.956  -3.390   0.904
+ 8333TIP3    H131308  -3.947  -3.329   0.979
+ 8333TIP3    H231309  -4.053  -3.393   0.893
+ 8334TIP3   OH231310  -3.305  -2.810   0.081
+ 8334TIP3    H131311  -3.254  -2.781   0.158
+ 8334TIP3    H231312  -3.353  -2.730   0.054
+ 8335TIP3   OH231313  -3.836  -2.808   1.072
+ 8335TIP3    H131314  -3.842  -2.803   0.975
+ 8335TIP3    H231315  -3.927  -2.827   1.099
+ 8336TIP3   OH231316  -2.728  -4.325  -0.353
+ 8336TIP3    H131317  -2.771  -4.322  -0.267
+ 8336TIP3    H231318  -2.652  -4.268  -0.336
+ 8337TIP3   OH231319  -3.893  -3.464  -0.092
+ 8337TIP3    H131320  -3.916  -3.387  -0.147
+ 8337TIP3    H231321  -3.962  -3.527  -0.116
+ 8338TIP3   OH231322  -2.566  -2.878  -0.471
+ 8338TIP3    H131323  -2.548  -2.785  -0.447
+ 8338TIP3    H231324  -2.479  -2.920  -0.452
+ 8339TIP3   OH231325  -4.267  -3.180   0.761
+ 8339TIP3    H131326  -4.287  -3.215   0.672
+ 8339TIP3    H231327  -4.306  -3.250   0.817
+ 8340TIP3   OH231328  -4.281  -2.900   0.458
+ 8340TIP3    H131329  -4.197  -2.944   0.476
+ 8340TIP3    H231330  -4.298  -2.853   0.540
+ 8341TIP3   OH231331  -2.441  -2.842   1.056
+ 8341TIP3    H131332  -2.452  -2.936   1.032
+ 8341TIP3    H231333  -2.533  -2.818   1.080
+ 8342TIP3   OH231334  -3.378  -2.920   0.932
+ 8342TIP3    H131335  -3.370  -2.837   0.983
+ 8342TIP3    H231336  -3.468  -2.949   0.955
+ 8343TIP3   OH231337  -3.354  -2.537  -0.072
+ 8343TIP3    H131338  -3.346  -2.528  -0.168
+ 8343TIP3    H231339  -3.343  -2.446  -0.040
+ 8344TIP3   OH231340  -3.979  -2.623   0.093
+ 8344TIP3    H131341  -3.953  -2.666   0.177
+ 8344TIP3    H231342  -4.055  -2.678   0.070
+ 8345TIP3   OH231343  -3.020  -2.596  -0.353
+ 8345TIP3    H131344  -2.961  -2.661  -0.397
+ 8345TIP3    H231345  -3.024  -2.634  -0.263
+ 8346TIP3   OH231346  -3.081  -2.653  -0.074
+ 8346TIP3    H131347  -3.175  -2.642  -0.056
+ 8346TIP3    H231348  -3.059  -2.723  -0.009
+ 8347TIP3   OH231349  -2.763  -3.708   1.092
+ 8347TIP3    H131350  -2.812  -3.668   1.019
+ 8347TIP3    H231351  -2.755  -3.800   1.063
+ 8348TIP3   OH231352  -4.072  -3.040   0.910
+ 8348TIP3    H131353  -4.042  -3.099   0.982
+ 8348TIP3    H231354  -4.147  -3.090   0.870
+ 8349TIP3   OH231355  -3.753  -4.223   0.498
+ 8349TIP3    H131356  -3.839  -4.230   0.454
+ 8349TIP3    H231357  -3.763  -4.136   0.540
+ 8350TIP3   OH231358  -3.290  -4.263   0.854
+ 8350TIP3    H131359  -3.270  -4.308   0.936
+ 8350TIP3    H231360  -3.385  -4.277   0.846
+ 8351TIP3   OH231361  -2.996  -3.864   0.894
+ 8351TIP3    H131362  -3.050  -3.875   0.974
+ 8351TIP3    H231363  -2.998  -3.768   0.878
+ 8352TIP3   OH231364  -2.895  -3.363  -0.476
+ 8352TIP3    H131365  -2.914  -3.380  -0.571
+ 8352TIP3    H231366  -2.801  -3.337  -0.481
+ 8353TIP3   OH231367  -3.329  -3.993  -0.431
+ 8353TIP3    H131368  -3.383  -4.004  -0.350
+ 8353TIP3    H231369  -3.378  -4.054  -0.490
+ 8354TIP3   OH231370  -3.761  -3.714   0.623
+ 8354TIP3    H131371  -3.821  -3.703   0.699
+ 8354TIP3    H231372  -3.754  -3.624   0.587
+ 8355TIP3   OH231373  -3.770  -3.710   0.113
+ 8355TIP3    H131374  -3.865  -3.716   0.094
+ 8355TIP3    H231375  -3.733  -3.727   0.024
+ 8356TIP3   OH231376  -3.206  -3.652  -0.012
+ 8356TIP3    H131377  -3.247  -3.569  -0.044
+ 8356TIP3    H231378  -3.138  -3.667  -0.079
+ 8357TIP3   OH231379  -3.287  -3.631   1.123
+ 8357TIP3    H131380  -3.338  -3.707   1.160
+ 8357TIP3    H231381  -3.200  -3.644   1.165
+ 8358TIP3   OH231382  -3.122  -3.711   0.267
+ 8358TIP3    H131383  -3.150  -3.653   0.194
+ 8358TIP3    H231384  -3.100  -3.792   0.216
+ 8359TIP3   OH231385  -4.026  -3.697   0.807
+ 8359TIP3    H131386  -3.995  -3.663   0.891
+ 8359TIP3    H231387  -4.052  -3.788   0.830
+ 8360TIP3   OH231388  -3.690  -3.940  -0.535
+ 8360TIP3    H131389  -3.723  -3.978  -0.451
+ 8360TIP3    H231390  -3.770  -3.928  -0.587
+ 8361TIP3   OH231391  -4.317  -3.938   0.169
+ 8361TIP3    H131392  -4.305  -3.970   0.261
+ 8361TIP3    H231393  -4.293  -4.016   0.117
+ 8362TIP3   OH231394  -4.207  -3.896  -0.245
+ 8362TIP3    H131395  -4.150  -3.865  -0.318
+ 8362TIP3    H231396  -4.291  -3.854  -0.266
+ 8363TIP3   OH231397  -3.213  -3.544   0.712
+ 8363TIP3    H131398  -3.168  -3.616   0.662
+ 8363TIP3    H231399  -3.242  -3.590   0.791
+ 8364TIP3   OH231400  -3.490  -3.941   0.211
+ 8364TIP3    H131401  -3.583  -3.961   0.231
+ 8364TIP3    H231402  -3.446  -3.971   0.292
+ 8365TIP3   OH231403  -4.039  -3.821   0.076
+ 8365TIP3    H131404  -4.116  -3.811   0.018
+ 8365TIP3    H231405  -4.002  -3.905   0.044
+ 8366TIP3   OH231406  -3.671  -3.791  -0.149
+ 8366TIP3    H131407  -3.574  -3.786  -0.144
+ 8366TIP3    H231408  -3.694  -3.730  -0.221
+ 8367TIP3   OH231409  -3.056  -4.033   0.515
+ 8367TIP3    H131410  -3.119  -4.035   0.590
+ 8367TIP3    H231411  -3.115  -4.063   0.444
+ 8368TIP3   OH231412  -3.825  -3.667  -0.374
+ 8368TIP3    H131413  -3.882  -3.698  -0.446
+ 8368TIP3    H231414  -3.743  -3.648  -0.422
+ 8369TIP3   OH231415  -2.751  -2.455   1.182
+ 8369TIP3    H131416  -2.728  -2.411   1.098
+ 8369TIP3    H231417  -2.678  -2.425   1.240
+ 8370TIP3   OH231418  -3.953  -3.196   1.124
+ 8370TIP3    H131419  -3.890  -3.192   1.199
+ 8370TIP3    H231420  -4.037  -3.185   1.174
+ 8371TIP3   OH231421  -3.389  -3.694   0.397
+ 8371TIP3    H131422  -3.316  -3.736   0.349
+ 8371TIP3    H231423  -3.404  -3.757   0.470
+ 8372TIP3   OH231424  -3.880  -4.060   0.021
+ 8372TIP3    H131425  -3.923  -4.146   0.033
+ 8372TIP3    H231426  -3.794  -4.085  -0.018
+ 8373TIP3   OH231427  -3.493  -3.851   0.623
+ 8373TIP3    H131428  -3.567  -3.788   0.622
+ 8373TIP3    H231429  -3.443  -3.823   0.702
+ 8374TIP3   OH231430  -3.479  -3.208  -0.190
+ 8374TIP3    H131431  -3.555  -3.260  -0.224
+ 8374TIP3    H231432  -3.497  -3.204  -0.093
+ 8375TIP3   OH231433  -2.756  -3.293   0.685
+ 8375TIP3    H131434  -2.704  -3.240   0.620
+ 8375TIP3    H231435  -2.841  -3.304   0.637
+ 8376TIP3   OH231436  -3.061  -3.932  -0.427
+ 8376TIP3    H131437  -3.159  -3.938  -0.425
+ 8376TIP3    H231438  -3.041  -3.863  -0.361
+ 8377TIP3   OH231439  -3.316  -3.210   0.943
+ 8377TIP3    H131440  -3.342  -3.240   1.031
+ 8377TIP3    H231441  -3.343  -3.116   0.943
+ 8378TIP3   OH231442  -2.996  -3.749  -0.213
+ 8378TIP3    H131443  -2.909  -3.763  -0.169
+ 8378TIP3    H231444  -2.986  -3.660  -0.250
+ 8379TIP3   OH231445  -3.978  -3.280   0.380
+ 8379TIP3    H131446  -3.909  -3.286   0.311
+ 8379TIP3    H231447  -3.961  -3.360   0.432
+ 8380TIP3   OH231448  -3.238  -3.073  -0.297
+ 8380TIP3    H131449  -3.263  -2.987  -0.258
+ 8380TIP3    H231450  -3.314  -3.128  -0.269
+ 8381TIP3   OH231451  -4.240  -3.425   0.948
+ 8381TIP3    H131452  -4.230  -3.492   1.019
+ 8381TIP3    H231453  -4.287  -3.476   0.878
+ 8382TIP3   OH231454  -3.541  -3.494   1.118
+ 8382TIP3    H131455  -3.574  -3.517   1.030
+ 8382TIP3    H231456  -3.447  -3.520   1.109
+ 8383TIP3   OH231457  -3.088  -2.953   0.890
+ 8383TIP3    H131458  -3.184  -2.941   0.884
+ 8383TIP3    H231459  -3.070  -2.924   0.981
+ 8384TIP3   OH231460  -2.535  -3.745  -0.232
+ 8384TIP3    H131461  -2.591  -3.764  -0.310
+ 8384TIP3    H231462  -2.523  -3.649  -0.246
+ 8385TIP3   OH231463  -2.489  -3.141   1.048
+ 8385TIP3    H131464  -2.583  -3.119   1.028
+ 8385TIP3    H231465  -2.455  -3.160   0.959
+ 8386TIP3   OH231466  -2.721  -2.886  -0.228
+ 8386TIP3    H131467  -2.733  -2.961  -0.168
+ 8386TIP3    H231468  -2.658  -2.919  -0.293
+ 8387TIP3   OH231469  -2.990  -3.350   0.516
+ 8387TIP3    H131470  -3.082  -3.365   0.490
+ 8387TIP3    H231471  -2.945  -3.422   0.466
+ 8388TIP3   OH231472  -3.728  -2.942   0.121
+ 8388TIP3    H131473  -3.685  -2.856   0.107
+ 8388TIP3    H231474  -3.819  -2.922   0.095
+ 8389TIP3   OH231475  -4.152  -3.444  -0.413
+ 8389TIP3    H131476  -4.080  -3.391  -0.374
+ 8389TIP3    H231477  -4.228  -3.388  -0.393
+ 8390TIP3   OH231478  -3.543  -3.173   0.080
+ 8390TIP3    H131479  -3.572  -3.082   0.096
+ 8390TIP3    H231480  -3.614  -3.223   0.123
+ 8391TIP3   OH231481  -3.526  -2.746   0.716
+ 8391TIP3    H131482  -3.470  -2.672   0.687
+ 8391TIP3    H231483  -3.464  -2.796   0.771
+ 8392TIP3   OH231484  -3.681  -2.652   0.041
+ 8392TIP3    H131485  -3.777  -2.637   0.048
+ 8392TIP3    H231486  -3.645  -2.565   0.064
+ 8393TIP3   OH231487  -3.186  -3.172   0.672
+ 8393TIP3    H131488  -3.213  -3.200   0.762
+ 8393TIP3    H231489  -3.111  -3.232   0.655
+ 8394TIP3   OH231490  -2.971  -3.043  -0.435
+ 8394TIP3    H131491  -2.925  -3.085  -0.361
+ 8394TIP3    H231492  -3.063  -3.057  -0.407
+ 8395TIP3   OH231493  -2.892  -2.714   0.913
+ 8395TIP3    H131494  -2.967  -2.758   0.869
+ 8395TIP3    H231495  -2.879  -2.635   0.858
+ 8396TIP3   OH231496  -2.490  -2.605  -0.376
+ 8396TIP3    H131497  -2.430  -2.545  -0.423
+ 8396TIP3    H231498  -2.571  -2.550  -0.376
+ 8397TIP3   OH231499  -4.107  -3.957   0.883
+ 8397TIP3    H131500  -4.196  -3.924   0.864
+ 8397TIP3    H231501  -4.124  -4.045   0.922
+ 8398TIP3   OH231502  -2.873  -3.180  -0.195
+ 8398TIP3    H131503  -2.898  -3.253  -0.136
+ 8398TIP3    H231504  -2.776  -3.182  -0.189
+ 8399TIP3   OH231505  -4.129  -2.799   0.726
+ 8399TIP3    H131506  -4.109  -2.893   0.735
+ 8399TIP3    H231507  -4.094  -2.766   0.809
+ 8400TIP3   OH231508  -3.547  -2.936  -0.578
+ 8400TIP3    H131509  -3.514  -3.014  -0.626
+ 8400TIP3    H231510  -3.586  -2.977  -0.500
+ 8401TIP3   OH231511  -3.664  -2.986  -0.304
+ 8401TIP3    H131512  -3.610  -3.039  -0.243
+ 8401TIP3    H231513  -3.647  -2.895  -0.273
+ 8402TIP3   OH231514  -3.987  -3.244  -0.272
+ 8402TIP3    H131515  -4.056  -3.203  -0.216
+ 8402TIP3    H231516  -3.936  -3.165  -0.295
+ 8403TIP3   OH231517  -3.217  -4.006   0.746
+ 8403TIP3    H131518  -3.151  -3.980   0.812
+ 8403TIP3    H231519  -3.249  -4.092   0.780
+ 8404TIP3   OH231520  -3.135  -4.057  -0.141
+ 8404TIP3    H131521  -3.129  -3.997  -0.216
+ 8404TIP3    H231522  -3.100  -4.002  -0.069
+ 8405TIP3   OH231523  -3.366  -2.823  -0.243
+ 8405TIP3    H131524  -3.447  -2.772  -0.226
+ 8405TIP3    H231525  -3.328  -2.776  -0.318
+ 8406TIP3   OH231526  -3.403  -3.852  -0.041
+ 8406TIP3    H131527  -3.329  -3.788  -0.028
+ 8406TIP3    H231528  -3.432  -3.867   0.051
+ 8407TIP3   OH231529  -3.372  -3.762   0.873
+ 8407TIP3    H131530  -3.361  -3.710   0.954
+ 8407TIP3    H231531  -3.312  -3.836   0.887
+ 8408TIP3   OH231532  -3.330  -4.174   0.059
+ 8408TIP3    H131533  -3.364  -4.099   0.111
+ 8408TIP3    H231534  -3.275  -4.128  -0.008
+ 8409TIP3   OH231535  -3.647  -2.715  -0.243
+ 8409TIP3    H131536  -3.652  -2.633  -0.297
+ 8409TIP3    H231537  -3.657  -2.681  -0.153
+ 8410TIP3   OH231538  -3.775  -4.050  -0.289
+ 8410TIP3    H131539  -3.772  -3.968  -0.238
+ 8410TIP3    H231540  -3.688  -4.088  -0.267
+ 8411TIP3   OH231541  -2.735  -3.963   0.956
+ 8411TIP3    H131542  -2.830  -3.952   0.938
+ 8411TIP3    H231543  -2.705  -3.987   0.867
+ 8412TIP3   OH231544  -2.889  -3.574   0.364
+ 8412TIP3    H131545  -2.970  -3.621   0.336
+ 8412TIP3    H231546  -2.839  -3.646   0.410
+ 8413TIP3   OH231547  -3.931  -2.957  -0.390
+ 8413TIP3    H131548  -3.855  -2.915  -0.348
+ 8413TIP3    H231549  -3.885  -3.013  -0.454
+ 8414TIP3   OH231550  -4.112  -3.746  -0.476
+ 8414TIP3    H131551  -4.106  -3.651  -0.454
+ 8414TIP3    H231552  -4.196  -3.754  -0.522
+ 8415TIP3   OH231553  -2.788  -2.688   0.503
+ 8415TIP3    H131554  -2.804  -2.607   0.451
+ 8415TIP3    H231555  -2.694  -2.675   0.525
+ 8416TIP3   OH231556  -4.076  -4.236   0.421
+ 8416TIP3    H131557  -4.060  -4.256   0.327
+ 8416TIP3    H231558  -4.110  -4.322   0.451
+ 8417TIP3   OH231559  -4.135  -2.877   0.029
+ 8417TIP3    H131560  -4.227  -2.848   0.032
+ 8417TIP3    H231561  -4.105  -2.841  -0.056
+ 8418TIP3   OH231562  -4.214  -2.605   1.148
+ 8418TIP3    H131563  -4.151  -2.604   1.222
+ 8418TIP3    H231564  -4.214  -2.701   1.133
+ 8419TIP3   OH231565  -3.727  -2.692   1.321
+ 8419TIP3    H131566  -3.657  -2.756   1.342
+ 8419TIP3    H231567  -3.750  -2.718   1.231
+ 8420TIP3   OH231568  -3.323  -2.766  -0.527
+ 8420TIP3    H131569  -3.397  -2.829  -0.538
+ 8420TIP3    H231570  -3.250  -2.818  -0.565
+ 8421TIP3   OH231571  -3.082  -2.863   1.181
+ 8421TIP3    H131572  -3.118  -2.947   1.216
+ 8421TIP3    H231573  -3.011  -2.842   1.243
+ 8422TIP3   OH231574  -2.861  -2.775  -0.517
+ 8422TIP3    H131575  -2.842  -2.854  -0.464
+ 8422TIP3    H231576  -2.782  -2.770  -0.574
+ 8423TIP3   OH231577  -4.200  -3.200   1.210
+ 8423TIP3    H131578  -4.189  -3.289   1.173
+ 8423TIP3    H231579  -4.287  -3.174   1.176
+ 8424TIP3   OH231580  -3.782  -3.195  -0.545
+ 8424TIP3    H131581  -3.762  -3.252  -0.468
+ 8424TIP3    H231582  -3.695  -3.195  -0.590
+ 8425TIP3   OH231583  -3.540  -3.216   1.190
+ 8425TIP3    H131584  -3.568  -3.183   1.103
+ 8425TIP3    H231585  -3.531  -3.312   1.174
+ 8426TIP3   OH231586  -3.261  -3.062  -0.582
+ 8426TIP3    H131587  -3.259  -3.065  -0.485
+ 8426TIP3    H231588  -3.262  -3.158  -0.602
+ 8427TIP3   OH231589  -3.002  -3.253   0.928
+ 8427TIP3    H131590  -2.922  -3.201   0.907
+ 8427TIP3    H231591  -3.070  -3.184   0.925
+ 8428TIP3   OH231592  -4.135  -3.532   1.188
+ 8428TIP3    H131593  -4.053  -3.584   1.175
+ 8428TIP3    H231594  -4.122  -3.498   1.278
+ 8429TIP3   OH231595  -3.675  -3.383  -0.312
+ 8429TIP3    H131596  -3.733  -3.436  -0.254
+ 8429TIP3    H231597  -3.642  -3.451  -0.374
+ 8430TIP3   OH231598  -3.751  -3.608   0.915
+ 8430TIP3    H131599  -3.805  -3.529   0.933
+ 8430TIP3    H231600  -3.684  -3.574   0.854
+ 8431TIP3   OH231601  -3.576  -3.583  -0.484
+ 8431TIP3    H131602  -3.579  -3.575  -0.582
+ 8431TIP3    H231603  -3.480  -3.588  -0.468
+ 8432TIP3   OH231604  -3.219  -3.337   1.271
+ 8432TIP3    H131605  -3.129  -3.356   1.239
+ 8432TIP3    H231606  -3.243  -3.422   1.311
+ 8433TIP3   OH231607  -2.626  -3.333  -0.552
+ 8433TIP3    H131608  -2.634  -3.373  -0.639
+ 8433TIP3    H231609  -2.633  -3.238  -0.575
+ 8434TIP3   OH231610  -3.694  -3.881   1.026
+ 8434TIP3    H131611  -3.682  -3.944   0.953
+ 8434TIP3    H231612  -3.711  -3.798   0.978
+ 8435TIP3   OH231613  -3.651  -4.038   0.768
+ 8435TIP3    H131614  -3.599  -3.981   0.708
+ 8435TIP3    H231615  -3.743  -4.026   0.735
+ 8436TIP3   OH231616  -3.502  -3.488   0.815
+ 8436TIP3    H131617  -3.418  -3.496   0.767
+ 8436TIP3    H231618  -3.532  -3.400   0.784
+ 8437TIP3   OH231619  -3.045  -3.693   1.293
+ 8437TIP3    H131620  -3.023  -3.787   1.307
+ 8437TIP3    H231621  -2.956  -3.654   1.287
+ 8438TIP3   OH231622  -2.948  -3.415   1.142
+ 8438TIP3    H131623  -2.982  -3.353   1.073
+ 8438TIP3    H231624  -2.858  -3.430   1.107
+ 8439TIP3   OH231625  -3.881  -3.691   1.207
+ 8439TIP3    H131626  -3.928  -3.777   1.206
+ 8439TIP3    H231627  -3.797  -3.716   1.164
+ 8440TIP3   OH231628  -3.607  -4.277   0.893
+ 8440TIP3    H131629  -3.591  -4.188   0.856
+ 8440TIP3    H231630  -3.699  -4.287   0.866
+ 8441TIP3   OH231631  -3.457  -3.844   1.186
+ 8441TIP3    H131632  -3.488  -3.871   1.274
+ 8441TIP3    H231633  -3.538  -3.863   1.134
+ 8442TIP3   OH231634  -3.197  -3.944   1.085
+ 8442TIP3    H131635  -3.286  -3.931   1.122
+ 8442TIP3    H231636  -3.159  -4.010   1.146
+ 8443TIP3   OH231637  -3.032  -4.135   1.251
+ 8443TIP3    H131638  -3.034  -4.223   1.291
+ 8443TIP3    H231639  -3.038  -4.076   1.328
+ 8444TIP3   OH231640  -4.002  -3.952   1.194
+ 8444TIP3    H131641  -4.023  -4.018   1.126
+ 8444TIP3    H231642  -4.040  -3.993   1.274
+ 8445TIP3   OH231643  -3.495  -4.148   1.298
+ 8445TIP3    H131644  -3.517  -4.229   1.249
+ 8445TIP3    H231645  -3.579  -4.099   1.300
+ 8446TIP3   OH231646  -3.600  -2.457  -0.374
+ 8446TIP3    H131647  -3.504  -2.450  -0.362
+ 8446TIP3    H231648  -3.611  -2.418  -0.461
+ 8447TIP3   OH231649  -4.199  -2.970  -0.466
+ 8447TIP3    H131650  -4.122  -2.975  -0.407
+ 8447TIP3    H231651  -4.217  -3.062  -0.486
+ 8448TIP3   OH231652  -4.275  -2.690   0.248
+ 8448TIP3    H131653  -4.276  -2.780   0.284
+ 8448TIP3    H231654  -4.241  -2.642   0.325
+ 8449TIP3   OH231655  -2.518  -2.575   0.553
+ 8449TIP3    H131656  -2.497  -2.571   0.647
+ 8449TIP3    H231657  -2.435  -2.541   0.515
+ 8450TIP3   OH231658  -2.530  -2.628   0.843
+ 8450TIP3    H131659  -2.575  -2.704   0.802
+ 8450TIP3    H231660  -2.467  -2.673   0.901
+ 8451TIP3   OH231661  -2.726  -3.086   1.270
+ 8451TIP3    H131662  -2.815  -3.077   1.309
+ 8451TIP3    H231663  -2.681  -3.004   1.298
+ 8452TIP3   OH231664  -2.587  -3.194  -0.158
+ 8452TIP3    H131665  -2.497  -3.160  -0.144
+ 8452TIP3    H231666  -2.592  -3.257  -0.084
+ 8453TIP3   OH231667  -2.536  -3.400   0.043
+ 8453TIP3    H131668  -2.605  -3.455   0.084
+ 8453TIP3    H231669  -2.469  -3.390   0.114
+ 8454TIP3   OH231670  -2.568  -3.150   0.536
+ 8454TIP3    H131671  -2.503  -3.199   0.483
+ 8454TIP3    H231672  -2.552  -3.059   0.508
+ 8455TIP3   OH231673  -2.696  -2.859   0.763
+ 8455TIP3    H131674  -2.769  -2.817   0.811
+ 8455TIP3    H231675  -2.741  -2.894   0.683
+ 8456TIP3   OH231676  -2.517  -3.456  -0.301
+ 8456TIP3    H131677  -2.566  -3.425  -0.380
+ 8456TIP3    H231678  -2.526  -3.379  -0.243
+ 8457TIP3   OH231679  -2.689  -3.698  -0.477
+ 8457TIP3    H131680  -2.660  -3.637  -0.546
+ 8457TIP3    H231681  -2.711  -3.778  -0.528
+ 8458TIP3   OH231682  -2.749  -3.583   0.120
+ 8458TIP3    H131683  -2.753  -3.678   0.104
+ 8458TIP3    H231684  -2.784  -3.575   0.211
+ 8459TIP3   OH231685  -4.256  -3.335   0.519
+ 8459TIP3    H131686  -4.222  -3.313   0.431
+ 8459TIP3    H231687  -4.176  -3.377   0.558
+ 8460TIP3   OH231688  -2.684  -3.394   1.044
+ 8460TIP3    H131689  -2.608  -3.455   1.047
+ 8460TIP3    H231690  -2.642  -3.312   1.015
+ 8461TIP3   OH231691  -2.522  -3.594   1.158
+ 8461TIP3    H131692  -2.606  -3.637   1.134
+ 8461TIP3    H231693  -2.460  -3.670   1.149
+ 8462TIP3   OH231694  -2.745  -3.970  -0.561
+ 8462TIP3    H131695  -2.685  -4.012  -0.496
+ 8462TIP3    H231696  -2.828  -4.019  -0.549
+ 8463TIP3   OH231697  -2.764  -3.827  -0.059
+ 8463TIP3    H131698  -2.746  -3.924  -0.054
+ 8463TIP3    H231699  -2.682  -3.796  -0.101
+ 8464TIP3   OH231700  -2.738  -3.774   0.480
+ 8464TIP3    H131701  -2.640  -3.764   0.475
+ 8464TIP3    H231702  -2.749  -3.776   0.577
+ 8465TIP3   OH231703  -2.723  -3.708   0.767
+ 8465TIP3    H131704  -2.806  -3.662   0.790
+ 8465TIP3    H231705  -2.664  -3.633   0.745
+ 8466TIP3   OH231706  -4.282  -3.838   1.145
+ 8466TIP3    H131707  -4.200  -3.880   1.116
+ 8466TIP3    H231708  -4.347  -3.910   1.145
+ 8467TIP3   OH231709  -2.462  -4.294   1.315
+ 8467TIP3    H131710  -2.403  -4.363   1.280
+ 8467TIP3    H231711  -2.476  -4.232   1.241
+ 8468TIP3   OH231712  -2.734  -4.098  -0.052
+ 8468TIP3    H131713  -2.709  -4.148   0.028
+ 8468TIP3    H231714  -2.796  -4.160  -0.094
+ 8469TIP3   OH231715  -4.194  -3.989   0.437
+ 8469TIP3    H131716  -4.160  -4.081   0.443
+ 8469TIP3    H231717  -4.114  -3.938   0.457
+ 8470TIP3   OH231718  -4.333  -3.727   0.527
+ 8470TIP3    H131719  -4.294  -3.779   0.455
+ 8470TIP3    H231720  -4.313  -3.637   0.498
+ 8471TIP3   OH231721  -2.535  -4.102   1.128
+ 8471TIP3    H131722  -2.623  -4.061   1.123
+ 8471TIP3    H231723  -2.529  -4.140   1.040
+ 8472TIP3   OH231724  -2.521  -4.058  -0.391
+ 8472TIP3    H131725  -2.501  -4.142  -0.436
+ 8472TIP3    H231726  -2.435  -4.014  -0.388
+ 8473TIP3   OH231727  -4.316  -4.108  -0.116
+ 8473TIP3    H131728  -4.398  -4.079  -0.157
+ 8473TIP3    H231729  -4.254  -4.040  -0.152
+ 8474TIP3   OH231730  -2.828  -2.568   0.133
+ 8474TIP3    H131731  -2.781  -2.592   0.051
+ 8474TIP3    H231732  -2.757  -2.527   0.184
+ 8475TIP3   OH231733  -4.292  -4.164   0.719
+ 8475TIP3    H131734  -4.350  -4.225   0.769
+ 8475TIP3    H231735  -4.328  -4.167   0.630
+ 8476TIP3   OH231736  -4.120  -2.861   1.182
+ 8476TIP3    H131737  -4.168  -2.926   1.130
+ 8476TIP3    H231738  -4.134  -2.896   1.273
+ 8477TIP3   OH231739  -3.802  -2.796   0.774
+ 8477TIP3    H131740  -3.832  -2.713   0.734
+ 8477TIP3    H231741  -3.706  -2.788   0.756
+ 8478TIP3   OH231742  -3.353  -2.667   1.073
+ 8478TIP3    H131743  -3.335  -2.684   1.167
+ 8478TIP3    H231744  -3.270  -2.622   1.046
+ 8479TIP3   OH231745  -3.125  -2.523   0.997
+ 8479TIP3    H131746  -3.054  -2.584   0.972
+ 8479TIP3    H231747  -3.092  -2.490   1.083
+ 8480TIP3   OH231748  -2.677  -4.282   0.919
+ 8480TIP3    H131749  -2.710  -4.210   0.863
+ 8480TIP3    H231750  -2.663  -4.351   0.852
+ 8481TIP3   OH231751  -4.070  -2.492   0.798
+ 8481TIP3    H131752  -4.137  -2.441   0.749
+ 8481TIP3    H231753  -4.102  -2.485   0.888
+ 8482TIP3   OH231754  -3.819  -2.526   0.661
+ 8482TIP3    H131755  -3.905  -2.506   0.702
+ 8482TIP3    H231756  -3.813  -2.458   0.591
+ 8483TIP3   OH231757  -3.343  -2.526   0.617
+ 8483TIP3    H131758  -3.377  -2.480   0.538
+ 8483TIP3    H231759  -3.331  -2.451   0.678
+ 8484TIP3   OH231760  -3.109  -2.655   0.709
+ 8484TIP3    H131761  -3.192  -2.617   0.675
+ 8484TIP3    H231762  -3.049  -2.578   0.705
+ 8485TIP3   OH231763  -2.859  -2.482   0.725
+ 8485TIP3    H131764  -2.859  -2.386   0.705
+ 8485TIP3    H231765  -2.826  -2.517   0.641
+ 8486TIP3   OH231766  -4.124  -2.615   0.495
+ 8486TIP3    H131767  -4.133  -2.662   0.581
+ 8486TIP3    H231768  -4.049  -2.664   0.456
+ 8487TIP3   OH231769  -3.911  -2.743   0.347
+ 8487TIP3    H131770  -3.926  -2.836   0.372
+ 8487TIP3    H231771  -3.819  -2.728   0.378
+ 8488TIP3   OH231772  -3.632  -2.702   0.432
+ 8488TIP3    H131773  -3.612  -2.794   0.409
+ 8488TIP3    H231774  -3.622  -2.705   0.528
+ 8489TIP3   OH231775  -3.300  -4.112   0.361
+ 8489TIP3    H131776  -3.362  -4.182   0.389
+ 8489TIP3    H231777  -3.240  -4.161   0.303
+ 8490TIP3   OH231778  -2.772  -4.334   0.404
+ 8490TIP3    H131779  -2.712  -4.288   0.342
+ 8490TIP3    H231780  -2.859  -4.304   0.375
+ 8491TIP3   OH231781  -2.575  -4.227   0.188
+ 8491TIP3    H131782  -2.522  -4.242   0.109
+ 8491TIP3    H231783  -2.556  -4.132   0.205
+ 8492TIP3   OH231784  -4.073  -4.281   0.095
+ 8492TIP3    H131785  -4.160  -4.314   0.069
+ 8492TIP3    H231786  -4.029  -4.361   0.125
+ 8493TIP3   OH231787  -4.205  -4.300  -0.300
+ 8493TIP3    H131788  -4.170  -4.233  -0.361
+ 8493TIP3    H231789  -4.259  -4.246  -0.240
+ 8494TIP3   OH231790  -3.614  -4.219   0.125
+ 8494TIP3    H131791  -3.522  -4.234   0.098
+ 8494TIP3    H231792  -3.635  -4.298   0.176
+ 8495TIP3   OH231793  -3.060  -4.265   0.256
+ 8495TIP3    H131794  -3.026  -4.261   0.166
+ 8495TIP3    H231795  -3.072  -4.359   0.271
+ 8496TIP3   OH231796  -2.950  -4.272  -0.148
+ 8496TIP3    H131797  -3.024  -4.212  -0.167
+ 8496TIP3    H231798  -2.991  -4.360  -0.152
+ 8497TIP3   OH231799  -4.189  -2.692  -0.198
+ 8497TIP3    H131800  -4.250  -2.711  -0.270
+ 8497TIP3    H231801  -4.182  -2.595  -0.202
+ 8498TIP3   OH231802  -4.008  -4.111  -0.444
+ 8498TIP3    H131803  -3.943  -4.158  -0.498
+ 8498TIP3    H231804  -3.951  -4.070  -0.377
+ 8499TIP3   OH231805  -3.492  -4.059  -0.210
+ 8499TIP3    H131806  -3.482  -4.143  -0.161
+ 8499TIP3    H231807  -3.470  -3.991  -0.143
+ 8500TIP3   OH231808  -3.296  -2.513  -0.366
+ 8500TIP3    H131809  -3.198  -2.511  -0.370
+ 8500TIP3    H231810  -3.314  -2.580  -0.435
+ 8501TIP3   OH231811  -2.648  -2.609  -0.103
+ 8501TIP3    H131812  -2.665  -2.692  -0.150
+ 8501TIP3    H231813  -2.638  -2.547  -0.177
+ 8502TIP3   OH231814  -4.110  -4.176   1.039
+ 8502TIP3    H131815  -4.159  -4.245   1.088
+ 8502TIP3    H231816  -4.027  -4.224   1.024
+ 8503TIP3   OH231817  -3.808  -4.277   1.299
+ 8503TIP3    H131818  -3.722  -4.303   1.259
+ 8503TIP3    H231819  -3.828  -4.355   1.352
+ 8504TIP3   OH231820  -4.012  -2.592  -0.500
+ 8504TIP3    H131821  -4.039  -2.576  -0.409
+ 8504TIP3    H231822  -3.941  -2.658  -0.488
+ 8505TIP3   OH231823  -2.697  -2.735   1.133
+ 8505TIP3    H131824  -2.768  -2.752   1.069
+ 8505TIP3    H231825  -2.710  -2.640   1.149
+ 8506TIP3   OH231826  -1.276  -3.367   0.144
+ 8506TIP3    H131827  -1.274  -3.270   0.154
+ 8506TIP3    H231828  -1.352  -3.378   0.086
+ 8507TIP3   OH231829  -1.383  -3.424   0.450
+ 8507TIP3    H131830  -1.395  -3.478   0.530
+ 8507TIP3    H231831  -1.417  -3.483   0.380
+ 8508TIP3   OH231832  -2.155  -3.474   0.643
+ 8508TIP3    H131833  -2.132  -3.561   0.680
+ 8508TIP3    H231834  -2.068  -3.432   0.642
+ 8509TIP3   OH231835  -1.018  -3.152   0.281
+ 8509TIP3    H131836  -1.059  -3.217   0.339
+ 8509TIP3    H231837  -0.995  -3.082   0.344
+ 8510TIP3   OH231838  -2.076  -3.005   0.472
+ 8510TIP3    H131839  -2.097  -3.097   0.449
+ 8510TIP3    H231840  -1.980  -3.012   0.486
+ 8511TIP3   OH231841  -2.382  -3.665   0.007
+ 8511TIP3    H131842  -2.415  -3.575   0.018
+ 8511TIP3    H231843  -2.456  -3.707  -0.040
+ 8512TIP3   OH231844  -2.290  -3.433   0.208
+ 8512TIP3    H131845  -2.267  -3.514   0.257
+ 8512TIP3    H231846  -2.209  -3.418   0.156
+ 8513TIP3   OH231847  -1.324  -2.624   0.336
+ 8513TIP3    H131848  -1.250  -2.682   0.310
+ 8513TIP3    H231849  -1.339  -2.650   0.428
+ 8514TIP3   OH231850  -1.541  -3.172   0.509
+ 8514TIP3    H131851  -1.508  -3.239   0.448
+ 8514TIP3    H231852  -1.458  -3.155   0.558
+ 8515TIP3   OH231853  -0.685  -4.018   0.565
+ 8515TIP3    H131854  -0.652  -3.972   0.643
+ 8515TIP3    H231855  -0.621  -3.989   0.498
+ 8516TIP3   OH231856  -1.214  -3.740   0.562
+ 8516TIP3    H131857  -1.192  -3.835   0.559
+ 8516TIP3    H231858  -1.219  -3.719   0.468
+ 8517TIP3   OH231859  -1.907  -3.944   0.286
+ 8517TIP3    H131860  -1.915  -3.849   0.268
+ 8517TIP3    H231861  -1.960  -3.982   0.214
+ 8518TIP3   OH231862  -1.125  -3.923   0.102
+ 8518TIP3    H131863  -1.063  -3.964   0.165
+ 8518TIP3    H231864  -1.065  -3.876   0.043
+ 8519TIP3   OH231865  -2.208  -3.681   0.340
+ 8519TIP3    H131866  -2.148  -3.731   0.397
+ 8519TIP3    H231867  -2.205  -3.733   0.258
+ 8520TIP3   OH231868  -1.711  -3.524   0.265
+ 8520TIP3    H131869  -1.640  -3.578   0.304
+ 8520TIP3    H231870  -1.760  -3.590   0.214
+ 8521TIP3   OH231871  -0.590  -3.847   0.831
+ 8521TIP3    H131872  -0.664  -3.795   0.795
+ 8521TIP3    H231873  -0.631  -3.890   0.907
+ 8522TIP3   OH231874  -1.289  -3.086   0.023
+ 8522TIP3    H131875  -1.310  -3.098  -0.070
+ 8522TIP3    H231876  -1.328  -2.999   0.042
+ 8523TIP3   OH231877  -1.738  -3.272   0.696
+ 8523TIP3    H131878  -1.813  -3.212   0.716
+ 8523TIP3    H231879  -1.678  -3.213   0.646
+ 8524TIP3   OH231880  -0.937  -4.016   0.306
+ 8524TIP3    H131881  -0.988  -4.057   0.377
+ 8524TIP3    H231882  -0.885  -3.951   0.355
+ 8525TIP3   OH231883  -1.943  -3.083   0.773
+ 8525TIP3    H131884  -1.943  -2.994   0.733
+ 8525TIP3    H231885  -2.030  -3.082   0.816
+ 8526TIP3   OH231886  -2.314  -3.111  -0.144
+ 8526TIP3    H131887  -2.327  -3.061  -0.226
+ 8526TIP3    H231888  -2.293  -3.041  -0.078
+ 8527TIP3   OH231889  -0.966  -2.966   0.534
+ 8527TIP3    H131890  -1.062  -2.953   0.533
+ 8527TIP3    H231891  -0.936  -2.882   0.495
+ 8528TIP3   OH231892  -0.923  -4.111   0.705
+ 8528TIP3    H131893  -1.003  -4.077   0.661
+ 8528TIP3    H231894  -0.855  -4.096   0.636
+ 8529TIP3   OH231895  -1.633   4.383   0.401
+ 8529TIP3    H131896  -1.627   4.291   0.429
+ 8529TIP3    H231897  -1.708   4.420   0.450
+ 8530TIP3   OH231898  -1.116  -2.772   0.204
+ 8530TIP3    H131899  -1.083  -2.845   0.149
+ 8530TIP3    H231900  -1.102  -2.695   0.148
+ 8531TIP3   OH231901  -0.986  -2.978   0.040
+ 8531TIP3    H131902  -1.030  -3.028  -0.030
+ 8531TIP3    H231903  -0.988  -3.041   0.114
+ 8532TIP3   OH231904  -0.835  -3.106   0.901
+ 8532TIP3    H131905  -0.846  -3.167   0.826
+ 8532TIP3    H231906  -0.826  -3.020   0.855
+ 8533TIP3   OH231907  -1.413  -3.417  -0.132
+ 8533TIP3    H131908  -1.477  -3.351  -0.166
+ 8533TIP3    H231909  -1.339  -3.406  -0.193
+ 8534TIP3   OH231910  -1.380  -3.598  -0.424
+ 8534TIP3    H131911  -1.313  -3.565  -0.362
+ 8534TIP3    H231912  -1.325  -3.652  -0.483
+ 8535TIP3   OH231913  -0.661  -3.488   0.695
+ 8535TIP3    H131914  -0.733  -3.422   0.701
+ 8535TIP3    H231915  -0.612  -3.454   0.617
+ 8536TIP3   OH231916  -1.060  -3.418  -0.022
+ 8536TIP3    H131917  -1.127  -3.391   0.045
+ 8536TIP3    H231918  -0.998  -3.470   0.032
+ 8537TIP3   OH231919  -1.078  -3.562   0.861
+ 8537TIP3    H131920  -1.069  -3.480   0.913
+ 8537TIP3    H231921  -1.140  -3.530   0.793
+ 8538TIP3   OH231922  -1.905  -3.340   0.160
+ 8538TIP3    H131923  -1.932  -3.381   0.075
+ 8538TIP3    H231924  -1.834  -3.400   0.189
+ 8539TIP3   OH231925  -1.768  -3.004   0.432
+ 8539TIP3    H131926  -1.773  -3.033   0.340
+ 8539TIP3    H231927  -1.684  -3.044   0.462
+ 8540TIP3   OH231928  -1.850  -3.480   0.514
+ 8540TIP3    H131929  -1.794  -3.474   0.435
+ 8540TIP3    H231930  -1.809  -3.417   0.575
+ 8541TIP3   OH231931  -1.247  -2.905   0.563
+ 8541TIP3    H131932  -1.244  -2.835   0.629
+ 8541TIP3    H231933  -1.267  -2.986   0.614
+ 8542TIP3   OH231934  -1.758  -3.028   0.994
+ 8542TIP3    H131935  -1.809  -2.956   1.034
+ 8542TIP3    H231936  -1.817  -3.054   0.920
+ 8543TIP3   OH231937  -1.161  -3.474  -0.276
+ 8543TIP3    H131938  -1.116  -3.442  -0.194
+ 8543TIP3    H231939  -1.113  -3.420  -0.344
+ 8544TIP3   OH231940  -2.040  -3.417   0.916
+ 8544TIP3    H131941  -2.042  -3.347   0.982
+ 8544TIP3    H231942  -2.130  -3.414   0.881
+ 8545TIP3   OH231943  -1.420  -2.814   0.088
+ 8545TIP3    H131944  -1.366  -2.773   0.157
+ 8545TIP3    H231945  -1.454  -2.737   0.041
+ 8546TIP3   OH231946  -1.944  -2.807   1.072
+ 8546TIP3    H131947  -1.952  -2.797   0.975
+ 8546TIP3    H231948  -2.034  -2.833   1.098
+ 8547TIP3   OH231949  -0.844  -4.323  -0.355
+ 8547TIP3    H131950  -0.885  -4.323  -0.267
+ 8547TIP3    H231951  -0.766  -4.268  -0.337
+ 8548TIP3   OH231952  -2.006  -3.463  -0.091
+ 8548TIP3    H131953  -2.026  -3.387  -0.148
+ 8548TIP3    H231954  -2.073  -3.527  -0.120
+ 8549TIP3   OH231955  -0.685  -2.844  -0.456
+ 8549TIP3    H131956  -0.663  -2.753  -0.435
+ 8549TIP3    H231957  -0.604  -2.892  -0.431
+ 8550TIP3   OH231958  -2.403  -3.195   0.783
+ 8550TIP3    H131959  -2.443  -3.196   0.694
+ 8550TIP3    H231960  -2.387  -3.290   0.798
+ 8551TIP3   OH231961  -2.396  -2.906   0.476
+ 8551TIP3    H131962  -2.303  -2.931   0.479
+ 8551TIP3    H231963  -2.399  -2.840   0.548
+ 8552TIP3   OH231964  -0.557  -2.842   1.056
+ 8552TIP3    H131965  -0.569  -2.935   1.033
+ 8552TIP3    H231966  -0.649  -2.817   1.081
+ 8553TIP3   OH231967  -1.491  -2.922   0.935
+ 8553TIP3    H131968  -1.485  -2.837   0.983
+ 8553TIP3    H231969  -1.583  -2.948   0.953
+ 8554TIP3   OH231970  -2.074  -2.631   0.088
+ 8554TIP3    H131971  -2.066  -2.667   0.178
+ 8554TIP3    H231972  -2.165  -2.654   0.065
+ 8555TIP3   OH231973  -0.879  -3.710   1.093
+ 8555TIP3    H131974  -0.927  -3.667   1.020
+ 8555TIP3    H231975  -0.871  -3.801   1.060
+ 8556TIP3   OH231976  -2.184  -3.040   0.909
+ 8556TIP3    H131977  -2.154  -3.092   0.986
+ 8556TIP3    H231978  -2.256  -3.094   0.873
+ 8557TIP3   OH231979  -1.876  -4.194   0.532
+ 8557TIP3    H131980  -1.952  -4.218   0.478
+ 8557TIP3    H231981  -1.896  -4.100   0.548
+ 8558TIP3   OH231982  -1.406  -4.264   0.854
+ 8558TIP3    H131983  -1.390  -4.310   0.937
+ 8558TIP3    H231984  -1.502  -4.275   0.844
+ 8559TIP3   OH231985  -1.110  -3.865   0.897
+ 8559TIP3    H131986  -1.166  -3.873   0.976
+ 8559TIP3    H231987  -1.112  -3.770   0.877
+ 8560TIP3   OH231988  -1.013  -3.364  -0.479
+ 8560TIP3    H131989  -1.026  -3.380  -0.574
+ 8560TIP3    H231990  -0.921  -3.331  -0.479
+ 8561TIP3   OH231991  -1.442  -3.995  -0.431
+ 8561TIP3    H131992  -1.498  -4.003  -0.350
+ 8561TIP3    H231993  -1.493  -4.055  -0.490
+ 8562TIP3   OH231994  -1.881  -3.704   0.112
+ 8562TIP3    H131995  -1.976  -3.718   0.099
+ 8562TIP3    H231996  -1.846  -3.730   0.025
+ 8563TIP3   OH231997  -1.323  -3.653  -0.013
+ 8563TIP3    H131998  -1.363  -3.569  -0.044
+ 8563TIP3    H231999  -1.254  -3.666  -0.080
+ 8564TIP3   OH232000  -1.408  -3.630   1.128
+ 8564TIP3    H132001  -1.456  -3.709   1.157
+ 8564TIP3    H232002  -1.319  -3.644   1.166
+ 8565TIP3   OH232003  -1.234  -3.712   0.268
+ 8565TIP3    H132004  -1.265  -3.652   0.197
+ 8565TIP3    H232005  -1.214  -3.791   0.214
+ 8566TIP3   OH232006  -1.804  -3.947  -0.535
+ 8566TIP3    H132007  -1.840  -3.980  -0.451
+ 8566TIP3    H232008  -1.883  -3.926  -0.586
+ 8567TIP3   OH232009  -2.460  -3.969   0.177
+ 8567TIP3    H132010  -2.398  -3.949   0.249
+ 8567TIP3    H232011  -2.402  -3.989   0.103
+ 8568TIP3   OH232012  -2.301  -3.912  -0.258
+ 8568TIP3    H132013  -2.246  -3.861  -0.321
+ 8568TIP3    H232014  -2.371  -3.846  -0.240
+ 8569TIP3   OH232015  -1.334  -3.543   0.714
+ 8569TIP3    H132016  -1.286  -3.613   0.663
+ 8569TIP3    H232017  -1.360  -3.591   0.794
+ 8570TIP3   OH232018  -1.628  -3.953   0.213
+ 8570TIP3    H132019  -1.722  -3.950   0.241
+ 8570TIP3    H232020  -1.583  -3.965   0.299
+ 8571TIP3   OH232021  -2.151  -3.826   0.084
+ 8571TIP3    H132022  -2.230  -3.794   0.037
+ 8571TIP3    H232023  -2.122  -3.904   0.033
+ 8572TIP3   OH232024  -1.785  -3.795  -0.152
+ 8572TIP3    H132025  -1.689  -3.782  -0.146
+ 8572TIP3    H232026  -1.811  -3.733  -0.222
+ 8573TIP3   OH232027  -1.171  -4.035   0.515
+ 8573TIP3    H132028  -1.235  -4.035   0.589
+ 8573TIP3    H232029  -1.229  -4.062   0.442
+ 8574TIP3   OH232030  -1.939  -3.674  -0.374
+ 8574TIP3    H132031  -1.996  -3.695  -0.450
+ 8574TIP3    H232032  -1.858  -3.647  -0.420
+ 8575TIP3   OH232033  -0.862  -2.460   1.181
+ 8575TIP3    H132034  -0.848  -2.409   1.099
+ 8575TIP3    H232035  -0.794  -2.422   1.239
+ 8576TIP3   OH232036  -2.072  -3.198   1.123
+ 8576TIP3    H132037  -2.006  -3.183   1.193
+ 8576TIP3    H232038  -2.154  -3.197   1.176
+ 8577TIP3   OH232039  -1.504  -3.697   0.395
+ 8577TIP3    H132040  -1.427  -3.740   0.355
+ 8577TIP3    H232041  -1.525  -3.756   0.469
+ 8578TIP3   OH232042  -1.988  -4.061   0.022
+ 8578TIP3    H132043  -2.028  -4.148   0.034
+ 8578TIP3    H232044  -1.902  -4.083  -0.016
+ 8579TIP3   OH232045  -1.641  -3.837   0.634
+ 8579TIP3    H132046  -1.719  -3.780   0.628
+ 8579TIP3    H232047  -1.591  -3.799   0.710
+ 8580TIP3   OH232048  -1.593  -3.209  -0.190
+ 8580TIP3    H132049  -1.671  -3.257  -0.225
+ 8580TIP3    H232050  -1.612  -3.203  -0.094
+ 8581TIP3   OH232051  -0.870  -3.295   0.684
+ 8581TIP3    H132052  -0.820  -3.239   0.621
+ 8581TIP3    H232053  -0.955  -3.305   0.638
+ 8582TIP3   OH232054  -1.174  -3.932  -0.427
+ 8582TIP3    H132055  -1.273  -3.937  -0.425
+ 8582TIP3    H232056  -1.155  -3.862  -0.361
+ 8583TIP3   OH232057  -1.432  -3.211   0.945
+ 8583TIP3    H132058  -1.457  -3.234   1.036
+ 8583TIP3    H232059  -1.456  -3.118   0.939
+ 8584TIP3   OH232060  -1.110  -3.750  -0.214
+ 8584TIP3    H132061  -1.023  -3.761  -0.170
+ 8584TIP3    H232062  -1.103  -3.658  -0.249
+ 8585TIP3   OH232063  -2.068  -3.287   0.403
+ 8585TIP3    H132064  -2.017  -3.288   0.320
+ 8585TIP3    H232065  -2.056  -3.378   0.433
+ 8586TIP3   OH232066  -1.352  -3.070  -0.293
+ 8586TIP3    H132067  -1.377  -2.980  -0.263
+ 8586TIP3    H232068  -1.431  -3.121  -0.268
+ 8587TIP3   OH232069  -2.363  -3.441   0.927
+ 8587TIP3    H132070  -2.337  -3.497   1.002
+ 8587TIP3    H232071  -2.411  -3.502   0.869
+ 8588TIP3   OH232072  -1.695  -3.541   1.086
+ 8588TIP3    H132073  -1.692  -3.514   0.991
+ 8588TIP3    H232074  -1.599  -3.536   1.103
+ 8589TIP3   OH232075  -1.203  -2.963   0.896
+ 8589TIP3    H132076  -1.297  -2.941   0.883
+ 8589TIP3    H232077  -1.184  -2.921   0.981
+ 8590TIP3   OH232078  -0.648  -3.745  -0.233
+ 8590TIP3    H132079  -0.705  -3.762  -0.310
+ 8590TIP3    H232080  -0.637  -3.648  -0.245
+ 8591TIP3   OH232081  -0.604  -3.144   1.048
+ 8591TIP3    H132082  -0.697  -3.119   1.028
+ 8591TIP3    H232083  -0.569  -3.158   0.957
+ 8592TIP3   OH232084  -1.106  -3.353   0.519
+ 8592TIP3    H132085  -1.198  -3.365   0.490
+ 8592TIP3    H232086  -1.061  -3.421   0.465
+ 8593TIP3   OH232087  -1.841  -2.937   0.120
+ 8593TIP3    H132088  -1.793  -2.854   0.104
+ 8593TIP3    H232089  -1.930  -2.913   0.090
+ 8594TIP3   OH232090  -2.241  -3.463  -0.419
+ 8594TIP3    H132091  -2.182  -3.395  -0.380
+ 8594TIP3    H232092  -2.328  -3.432  -0.389
+ 8595TIP3   OH232093  -1.659  -3.174   0.081
+ 8595TIP3    H132094  -1.681  -3.081   0.095
+ 8595TIP3    H232095  -1.732  -3.219   0.126
+ 8596TIP3   OH232096  -1.640  -2.747   0.718
+ 8596TIP3    H132097  -1.589  -2.671   0.683
+ 8596TIP3    H232098  -1.572  -2.793   0.769
+ 8597TIP3   OH232099  -1.793  -2.643   0.032
+ 8597TIP3    H132100  -1.889  -2.628   0.042
+ 8597TIP3    H232101  -1.755  -2.565   0.075
+ 8598TIP3   OH232102  -1.299  -3.173   0.673
+ 8598TIP3    H132103  -1.327  -3.200   0.762
+ 8598TIP3    H232104  -1.225  -3.233   0.654
+ 8599TIP3   OH232105  -1.082  -3.025  -0.440
+ 8599TIP3    H132106  -1.035  -3.068  -0.367
+ 8599TIP3    H232107  -1.173  -3.040  -0.410
+ 8600TIP3   OH232108  -1.006  -2.715   0.911
+ 8600TIP3    H132109  -1.081  -2.754   0.864
+ 8600TIP3    H232110  -0.991  -2.634   0.859
+ 8601TIP3   OH232111  -0.989  -3.179  -0.201
+ 8601TIP3    H132112  -1.008  -3.250  -0.138
+ 8601TIP3    H232113  -0.893  -3.168  -0.193
+ 8602TIP3   OH232114  -2.249  -2.802   0.722
+ 8602TIP3    H132115  -2.213  -2.891   0.736
+ 8602TIP3    H232116  -2.219  -2.758   0.803
+ 8603TIP3   OH232117  -1.655  -2.930  -0.595
+ 8603TIP3    H132118  -1.624  -3.017  -0.625
+ 8603TIP3    H232119  -1.699  -2.951  -0.511
+ 8604TIP3   OH232120  -1.779  -2.975  -0.295
+ 8604TIP3    H132121  -1.719  -3.025  -0.238
+ 8604TIP3    H232122  -1.753  -2.882  -0.276
+ 8605TIP3   OH232123  -2.092  -3.242  -0.267
+ 8605TIP3    H132124  -2.163  -3.201  -0.213
+ 8605TIP3    H232125  -2.044  -3.162  -0.296
+ 8606TIP3   OH232126  -1.334  -4.006   0.744
+ 8606TIP3    H132127  -1.266  -3.981   0.809
+ 8606TIP3    H232128  -1.367  -4.091   0.777
+ 8607TIP3   OH232129  -1.248  -4.058  -0.141
+ 8607TIP3    H132130  -1.245  -3.998  -0.217
+ 8607TIP3    H232131  -1.215  -4.001  -0.070
+ 8608TIP3   OH232132  -1.481  -2.813  -0.240
+ 8608TIP3    H132133  -1.559  -2.755  -0.234
+ 8608TIP3    H232134  -1.434  -2.771  -0.314
+ 8609TIP3   OH232135  -1.514  -3.858  -0.037
+ 8609TIP3    H132136  -1.445  -3.790  -0.025
+ 8609TIP3    H232137  -1.551  -3.865   0.053
+ 8610TIP3   OH232138  -1.496  -3.763   0.874
+ 8610TIP3    H132139  -1.472  -3.709   0.951
+ 8610TIP3    H232140  -1.429  -3.833   0.875
+ 8611TIP3   OH232141  -1.449  -4.171   0.059
+ 8611TIP3    H132142  -1.481  -4.095   0.110
+ 8611TIP3    H232143  -1.392  -4.127  -0.007
+ 8612TIP3   OH232144  -1.748  -2.691  -0.260
+ 8612TIP3    H132145  -1.747  -2.606  -0.307
+ 8612TIP3    H232146  -1.773  -2.663  -0.170
+ 8613TIP3   OH232147  -1.893  -4.050  -0.286
+ 8613TIP3    H132148  -1.888  -3.966  -0.237
+ 8613TIP3    H232149  -1.805  -4.087  -0.265
+ 8614TIP3   OH232150  -0.846  -3.963   0.953
+ 8614TIP3    H132151  -0.943  -3.952   0.943
+ 8614TIP3    H232152  -0.824  -3.988   0.862
+ 8615TIP3   OH232153  -1.004  -3.574   0.364
+ 8615TIP3    H132154  -1.086  -3.618   0.335
+ 8615TIP3    H232155  -0.955  -3.646   0.409
+ 8616TIP3   OH232156  -2.052  -2.967  -0.390
+ 8616TIP3    H132157  -1.984  -2.909  -0.350
+ 8616TIP3    H232158  -1.997  -3.011  -0.456
+ 8617TIP3   OH232159  -2.235  -3.746  -0.479
+ 8617TIP3    H132160  -2.219  -3.652  -0.457
+ 8617TIP3    H232161  -2.321  -3.741  -0.521
+ 8618TIP3   OH232162  -0.900  -2.685   0.506
+ 8618TIP3    H132163  -0.919  -2.609   0.448
+ 8618TIP3    H232164  -0.805  -2.669   0.523
+ 8619TIP3   OH232165  -2.218  -4.248   0.410
+ 8619TIP3    H132166  -2.177  -4.242   0.323
+ 8619TIP3    H232167  -2.196  -4.337   0.438
+ 8620TIP3   OH232168  -2.257  -2.891   0.022
+ 8620TIP3    H132169  -2.328  -2.833   0.050
+ 8620TIP3    H232170  -2.210  -2.834  -0.041
+ 8621TIP3   OH232171  -2.311  -2.599   1.144
+ 8621TIP3    H132172  -2.254  -2.627   1.218
+ 8621TIP3    H232173  -2.349  -2.683   1.113
+ 8622TIP3   OH232174  -1.814  -2.692   1.341
+ 8622TIP3    H132175  -1.763  -2.775   1.337
+ 8622TIP3    H232176  -1.855  -2.696   1.253
+ 8623TIP3   OH232177  -1.425  -2.776  -0.508
+ 8623TIP3    H132178  -1.505  -2.818  -0.546
+ 8623TIP3    H232179  -1.358  -2.795  -0.575
+ 8624TIP3   OH232180  -1.205  -2.853   1.190
+ 8624TIP3    H132181  -1.237  -2.940   1.219
+ 8624TIP3    H232182  -1.127  -2.839   1.246
+ 8625TIP3   OH232183  -2.316  -3.236   1.256
+ 8625TIP3    H132184  -2.304  -3.323   1.215
+ 8625TIP3    H232185  -2.392  -3.203   1.204
+ 8626TIP3   OH232186  -1.895  -3.195  -0.544
+ 8626TIP3    H132187  -1.876  -3.252  -0.467
+ 8626TIP3    H232188  -1.808  -3.191  -0.586
+ 8627TIP3   OH232189  -1.660  -3.221   1.190
+ 8627TIP3    H132190  -1.684  -3.180   1.105
+ 8627TIP3    H232191  -1.648  -3.314   1.166
+ 8628TIP3   OH232192  -1.369  -3.061  -0.591
+ 8628TIP3    H132193  -1.376  -3.052  -0.494
+ 8628TIP3    H232194  -1.375  -3.158  -0.601
+ 8629TIP3   OH232195  -1.116  -3.252   0.929
+ 8629TIP3    H132196  -1.037  -3.202   0.907
+ 8629TIP3    H232197  -1.183  -3.182   0.924
+ 8630TIP3   OH232198  -2.208  -3.526   1.173
+ 8630TIP3    H132199  -2.198  -3.621   1.181
+ 8630TIP3    H232200  -2.228  -3.500   1.264
+ 8631TIP3   OH232201  -1.788  -3.385  -0.311
+ 8631TIP3    H132202  -1.846  -3.437  -0.254
+ 8631TIP3    H232203  -1.756  -3.454  -0.374
+ 8632TIP3   OH232204  -1.692  -3.585  -0.485
+ 8632TIP3    H132205  -1.695  -3.573  -0.581
+ 8632TIP3    H232206  -1.595  -3.586  -0.469
+ 8633TIP3   OH232207  -1.334  -3.337   1.273
+ 8633TIP3    H132208  -1.245  -3.352   1.238
+ 8633TIP3    H232209  -1.354  -3.424   1.310
+ 8634TIP3   OH232210  -0.743  -3.328  -0.554
+ 8634TIP3    H132211  -0.752  -3.362  -0.644
+ 8634TIP3    H232212  -0.746  -3.232  -0.569
+ 8635TIP3   OH232213  -1.773  -4.032   0.801
+ 8635TIP3    H132214  -1.719  -3.977   0.741
+ 8635TIP3    H232215  -1.863  -4.006   0.770
+ 8636TIP3   OH232216  -1.620  -3.488   0.826
+ 8636TIP3    H132217  -1.542  -3.499   0.770
+ 8636TIP3    H232218  -1.661  -3.409   0.785
+ 8637TIP3   OH232219  -1.161  -3.693   1.295
+ 8637TIP3    H132220  -1.137  -3.786   1.304
+ 8637TIP3    H232221  -1.074  -3.651   1.286
+ 8638TIP3   OH232222  -1.062  -3.416   1.141
+ 8638TIP3    H132223  -1.096  -3.353   1.073
+ 8638TIP3    H232224  -0.971  -3.428   1.107
+ 8639TIP3   OH232225  -1.696  -4.293   0.869
+ 8639TIP3    H132226  -1.718  -4.198   0.853
+ 8639TIP3    H232227  -1.773  -4.336   0.828
+ 8640TIP3   OH232228  -1.593  -3.843   1.176
+ 8640TIP3    H132229  -1.609  -3.871   1.268
+ 8640TIP3    H232230  -1.651  -3.906   1.130
+ 8641TIP3   OH232231  -1.311  -3.940   1.091
+ 8641TIP3    H132232  -1.404  -3.936   1.120
+ 8641TIP3    H232233  -1.275  -4.009   1.149
+ 8642TIP3   OH232234  -1.143  -4.136   1.251
+ 8642TIP3    H132235  -1.154  -4.224   1.290
+ 8642TIP3    H232236  -1.154  -4.077   1.328
+ 8643TIP3   OH232237  -2.075  -3.942   1.176
+ 8643TIP3    H132238  -2.115  -4.008   1.116
+ 8643TIP3    H232239  -2.125  -3.961   1.257
+ 8644TIP3   OH232240  -1.614  -4.140   1.289
+ 8644TIP3    H132241  -1.626  -4.228   1.249
+ 8644TIP3    H232242  -1.705  -4.113   1.306
+ 8645TIP3   OH232243  -2.324  -3.020  -0.422
+ 8645TIP3    H132244  -2.228  -3.001  -0.406
+ 8645TIP3    H232245  -2.320  -3.099  -0.479
+ 8646TIP3   OH232246  -2.417  -2.499   0.057
+ 8646TIP3    H132247  -2.488  -2.536   0.002
+ 8646TIP3    H232248  -2.405  -2.568   0.125
+ 8647TIP3   OH232249  -2.386  -2.701   0.252
+ 8647TIP3    H132250  -2.413  -2.788   0.286
+ 8647TIP3    H232251  -2.347  -2.663   0.333
+ 8648TIP3   OH232252  -0.623  -2.592   0.553
+ 8648TIP3    H132253  -0.619  -2.564   0.646
+ 8648TIP3    H232254  -0.555  -2.534   0.516
+ 8649TIP3   OH232255  -0.645  -2.626   0.848
+ 8649TIP3    H132256  -0.689  -2.698   0.801
+ 8649TIP3    H232257  -0.585  -2.675   0.906
+ 8650TIP3   OH232258  -0.841  -3.085   1.272
+ 8650TIP3    H132259  -0.930  -3.074   1.310
+ 8650TIP3    H232260  -0.796  -3.003   1.296
+ 8651TIP3   OH232261  -0.697  -3.207  -0.163
+ 8651TIP3    H132262  -0.612  -3.162  -0.147
+ 8651TIP3    H232263  -0.705  -3.261  -0.083
+ 8652TIP3   OH232264  -0.653  -3.401   0.041
+ 8652TIP3    H132265  -0.721  -3.457   0.085
+ 8652TIP3    H232266  -0.586  -3.387   0.110
+ 8653TIP3   OH232267  -0.681  -3.150   0.540
+ 8653TIP3    H132268  -0.620  -3.195   0.480
+ 8653TIP3    H232269  -0.672  -3.057   0.510
+ 8654TIP3   OH232270  -0.811  -2.864   0.765
+ 8654TIP3    H132271  -0.882  -2.814   0.809
+ 8654TIP3    H232272  -0.855  -2.891   0.682
+ 8655TIP3   OH232273  -0.630  -3.454  -0.303
+ 8655TIP3    H132274  -0.680  -3.423  -0.381
+ 8655TIP3    H232275  -0.644  -3.378  -0.243
+ 8656TIP3   OH232276  -0.801  -3.701  -0.476
+ 8656TIP3    H132277  -0.776  -3.635  -0.543
+ 8656TIP3    H232278  -0.825  -3.778  -0.530
+ 8657TIP3   OH232279  -0.858  -3.585   0.123
+ 8657TIP3    H132280  -0.870  -3.680   0.104
+ 8657TIP3    H232281  -0.899  -3.576   0.211
+ 8658TIP3   OH232282  -2.373  -3.363   0.495
+ 8658TIP3    H132283  -2.345  -3.363   0.401
+ 8658TIP3    H232284  -2.289  -3.388   0.539
+ 8659TIP3   OH232285  -0.801  -3.393   1.038
+ 8659TIP3    H132286  -0.725  -3.452   1.052
+ 8659TIP3    H232287  -0.759  -3.309   1.014
+ 8660TIP3   OH232288  -0.645  -3.585   1.160
+ 8660TIP3    H132289  -0.724  -3.637   1.135
+ 8660TIP3    H232290  -0.575  -3.652   1.156
+ 8661TIP3   OH232291  -0.859  -3.972  -0.563
+ 8661TIP3    H132292  -0.800  -4.012  -0.496
+ 8661TIP3    H232293  -0.942  -4.018  -0.548
+ 8662TIP3   OH232294  -0.878  -3.827  -0.058
+ 8662TIP3    H132295  -0.860  -3.924  -0.054
+ 8662TIP3    H232296  -0.797  -3.795  -0.101
+ 8663TIP3   OH232297  -0.853  -3.776   0.479
+ 8663TIP3    H132298  -0.755  -3.767   0.476
+ 8663TIP3    H232299  -0.866  -3.774   0.576
+ 8664TIP3   OH232300  -0.838  -3.705   0.767
+ 8664TIP3    H132301  -0.922  -3.661   0.790
+ 8664TIP3    H232302  -0.782  -3.628   0.743
+ 8665TIP3   OH232303  -2.377  -3.838   1.146
+ 8665TIP3    H132304  -2.289  -3.869   1.122
+ 8665TIP3    H232305  -2.429  -3.920   1.134
+ 8666TIP3   OH232306  -0.621  -4.276   1.343
+ 8666TIP3    H132307  -0.569  -4.355   1.320
+ 8666TIP3    H232308  -0.619  -4.218   1.263
+ 8667TIP3   OH232309  -0.847  -4.099  -0.052
+ 8667TIP3    H132310  -0.824  -4.148   0.028
+ 8667TIP3    H232311  -0.910  -4.160  -0.095
+ 8668TIP3   OH232312  -2.280  -3.978   0.416
+ 8668TIP3    H132313  -2.259  -4.073   0.424
+ 8668TIP3    H232314  -2.220  -3.941   0.483
+ 8669TIP3   OH232315  -2.458  -3.718   0.499
+ 8669TIP3    H132316  -2.385  -3.740   0.440
+ 8669TIP3    H232317  -2.415  -3.657   0.559
+ 8670TIP3   OH232318  -0.642  -4.112   1.127
+ 8670TIP3    H132319  -0.728  -4.064   1.133
+ 8670TIP3    H232320  -0.650  -4.146   1.036
+ 8671TIP3   OH232321  -0.636  -4.058  -0.391
+ 8671TIP3    H132322  -0.615  -4.142  -0.436
+ 8671TIP3    H232323  -0.551  -4.013  -0.387
+ 8672TIP3   OH232324  -2.400  -4.106  -0.084
+ 8672TIP3    H132325  -2.495  -4.092  -0.098
+ 8672TIP3    H232326  -2.360  -4.034  -0.138
+ 8673TIP3   OH232327  -0.857  -2.564   0.061
+ 8673TIP3    H132328  -0.888  -2.654   0.059
+ 8673TIP3    H232329  -0.894  -2.528   0.143
+ 8674TIP3   OH232330  -2.459  -4.142   0.777
+ 8674TIP3    H132331  -2.409  -4.221   0.803
+ 8674TIP3    H232332  -2.434  -4.134   0.684
+ 8675TIP3   OH232333  -2.201  -2.903   1.208
+ 8675TIP3    H132334  -2.269  -2.900   1.140
+ 8675TIP3    H232335  -2.253  -2.896   1.289
+ 8676TIP3   OH232336  -1.917  -2.795   0.775
+ 8676TIP3    H132337  -1.947  -2.711   0.735
+ 8676TIP3    H232338  -1.822  -2.787   0.754
+ 8677TIP3   OH232339  -1.468  -2.664   1.080
+ 8677TIP3    H132340  -1.440  -2.687   1.170
+ 8677TIP3    H232341  -1.385  -2.624   1.046
+ 8678TIP3   OH232342  -1.237  -2.539   1.006
+ 8678TIP3    H132343  -1.160  -2.591   0.978
+ 8678TIP3    H232344  -1.202  -2.494   1.086
+ 8679TIP3   OH232345  -0.780  -4.278   0.917
+ 8679TIP3    H132346  -0.828  -4.213   0.862
+ 8679TIP3    H232347  -0.763  -4.346   0.850
+ 8680TIP3   OH232348  -2.183  -2.506   0.808
+ 8680TIP3    H132349  -2.238  -2.441   0.760
+ 8680TIP3    H232350  -2.213  -2.490   0.898
+ 8681TIP3   OH232351  -1.933  -2.528   0.656
+ 8681TIP3    H132352  -2.015  -2.502   0.701
+ 8681TIP3    H232353  -1.924  -2.459   0.588
+ 8682TIP3   OH232354  -1.466  -2.529   0.613
+ 8682TIP3    H132355  -1.493  -2.480   0.532
+ 8682TIP3    H232356  -1.452  -2.455   0.675
+ 8683TIP3   OH232357  -1.226  -2.654   0.708
+ 8683TIP3    H132358  -1.309  -2.616   0.674
+ 8683TIP3    H232359  -1.168  -2.577   0.705
+ 8684TIP3   OH232360  -0.969  -2.483   0.727
+ 8684TIP3    H132361  -0.977  -2.388   0.707
+ 8684TIP3    H232362  -0.942  -2.517   0.639
+ 8685TIP3   OH232363  -2.225  -2.626   0.497
+ 8685TIP3    H132364  -2.222  -2.671   0.584
+ 8685TIP3    H232365  -2.145  -2.664   0.455
+ 8686TIP3   OH232366  -2.022  -2.747   0.346
+ 8686TIP3    H132367  -2.032  -2.841   0.370
+ 8686TIP3    H232368  -1.929  -2.729   0.373
+ 8687TIP3   OH232369  -1.754  -2.706   0.431
+ 8687TIP3    H132370  -1.723  -2.796   0.411
+ 8687TIP3    H232371  -1.738  -2.702   0.526
+ 8688TIP3   OH232372  -1.414  -4.109   0.362
+ 8688TIP3    H132373  -1.480  -4.176   0.386
+ 8688TIP3    H232374  -1.357  -4.158   0.300
+ 8689TIP3   OH232375  -0.888  -4.333   0.404
+ 8689TIP3    H132376  -0.826  -4.289   0.343
+ 8689TIP3    H232377  -0.973  -4.301   0.373
+ 8690TIP3   OH232378  -0.691  -4.225   0.188
+ 8690TIP3    H132379  -0.635  -4.244   0.112
+ 8690TIP3    H232380  -0.672  -4.130   0.203
+ 8691TIP3   OH232381  -2.179  -4.284   0.093
+ 8691TIP3    H132382  -2.271  -4.296   0.067
+ 8691TIP3    H232383  -2.153  -4.372   0.120
+ 8692TIP3   OH232384  -2.321  -4.291  -0.283
+ 8692TIP3    H132385  -2.274  -4.243  -0.354
+ 8692TIP3    H232386  -2.356  -4.216  -0.231
+ 8693TIP3   OH232387  -1.735  -4.261   0.119
+ 8693TIP3    H132388  -1.646  -4.231   0.097
+ 8693TIP3    H232389  -1.726  -4.283   0.212
+ 8694TIP3   OH232390  -1.176  -4.265   0.255
+ 8694TIP3    H132391  -1.140  -4.258   0.166
+ 8694TIP3    H232392  -1.185  -4.360   0.269
+ 8695TIP3   OH232393  -1.064  -4.273  -0.146
+ 8695TIP3    H132394  -1.138  -4.211  -0.167
+ 8695TIP3    H232395  -1.106  -4.359  -0.155
+ 8696TIP3   OH232396  -2.276  -2.689  -0.170
+ 8696TIP3    H132397  -2.332  -2.691  -0.249
+ 8696TIP3    H232398  -2.264  -2.594  -0.158
+ 8697TIP3   OH232399  -2.129  -4.129  -0.438
+ 8697TIP3    H132400  -2.057  -4.160  -0.497
+ 8697TIP3    H232401  -2.077  -4.075  -0.375
+ 8698TIP3   OH232402  -1.606  -4.063  -0.209
+ 8698TIP3    H132403  -1.598  -4.142  -0.154
+ 8698TIP3    H232404  -1.587  -3.990  -0.147
+ 8699TIP3   OH232405  -2.235  -4.161   1.074
+ 8699TIP3    H132406  -2.288  -4.240   1.087
+ 8699TIP3    H232407  -2.157  -4.202   1.033
+ 8700TIP3   OH232408  -1.926  -4.287   1.300
+ 8700TIP3    H132409  -1.843  -4.320   1.260
+ 8700TIP3    H232410  -1.965  -4.367   1.337
+ 8701TIP3   OH232411  -0.814  -2.737   1.136
+ 8701TIP3    H132412  -0.883  -2.752   1.069
+ 8701TIP3    H232413  -0.824  -2.641   1.150
+ 8702TIP3   OH232414   0.611  -3.368   0.142
+ 8702TIP3    H132415   0.607  -3.272   0.152
+ 8702TIP3    H232416   0.536  -3.385   0.083
+ 8703TIP3   OH232417   0.498  -3.422   0.451
+ 8703TIP3    H132418   0.495  -3.480   0.528
+ 8703TIP3    H232419   0.472  -3.483   0.380
+ 8704TIP3   OH232420  -0.256  -3.464   0.618
+ 8704TIP3    H132421  -0.257  -3.538   0.682
+ 8704TIP3    H232422  -0.184  -3.410   0.653
+ 8705TIP3   OH232423   0.869  -3.145   0.286
+ 8705TIP3    H132424   0.829  -3.216   0.339
+ 8705TIP3    H232425   0.890  -3.079   0.352
+ 8706TIP3   OH232426  -0.189  -2.999   0.469
+ 8706TIP3    H132427  -0.215  -3.090   0.443
+ 8706TIP3    H232428  -0.096  -3.013   0.491
+ 8707TIP3   OH232429  -0.493  -3.663   0.009
+ 8707TIP3    H132430  -0.528  -3.573   0.016
+ 8707TIP3    H232431  -0.566  -3.708  -0.036
+ 8708TIP3   OH232432  -0.410  -3.414   0.195
+ 8708TIP3    H132433  -0.394  -3.498   0.242
+ 8708TIP3    H232434  -0.328  -3.405   0.144
+ 8709TIP3   OH232435   0.571  -2.616   0.337
+ 8709TIP3    H132436   0.631  -2.690   0.318
+ 8709TIP3    H232437   0.542  -2.635   0.427
+ 8710TIP3   OH232438   0.345  -3.171   0.508
+ 8710TIP3    H132439   0.376  -3.243   0.450
+ 8710TIP3    H232440   0.426  -3.158   0.560
+ 8711TIP3   OH232441   1.201  -4.018   0.566
+ 8711TIP3    H132442   1.235  -3.971   0.644
+ 8711TIP3    H232443   1.264  -3.988   0.498
+ 8712TIP3   OH232444   0.673  -3.740   0.557
+ 8712TIP3    H132445   0.690  -3.836   0.554
+ 8712TIP3    H232446   0.660  -3.721   0.463
+ 8713TIP3   OH232447  -0.012  -3.943   0.273
+ 8713TIP3    H132448   0.031  -3.865   0.232
+ 8713TIP3    H232449  -0.038  -3.991   0.192
+ 8714TIP3   OH232450   0.764  -3.924   0.111
+ 8714TIP3    H132451   0.834  -3.960   0.168
+ 8714TIP3    H232452   0.815  -3.881   0.041
+ 8715TIP3   OH232453  -0.360  -3.666   0.318
+ 8715TIP3    H132454  -0.294  -3.713   0.373
+ 8715TIP3    H232455  -0.350  -3.712   0.233
+ 8716TIP3   OH232456   0.177  -3.525   0.265
+ 8716TIP3    H132457   0.250  -3.580   0.299
+ 8716TIP3    H232458   0.129  -3.590   0.210
+ 8717TIP3   OH232459   1.294  -3.849   0.828
+ 8717TIP3    H132460   1.219  -3.797   0.796
+ 8717TIP3    H232461   1.257  -3.889   0.908
+ 8718TIP3   OH232462  -0.150  -4.055   0.683
+ 8718TIP3    H132463  -0.179  -3.999   0.609
+ 8718TIP3    H232464  -0.218  -4.032   0.750
+ 8719TIP3   OH232465   0.603  -3.081   0.024
+ 8719TIP3    H132466   0.571  -3.108  -0.062
+ 8719TIP3    H232467   0.556  -2.997   0.039
+ 8720TIP3   OH232468   0.146  -3.269   0.696
+ 8720TIP3    H132469   0.072  -3.210   0.721
+ 8720TIP3    H232470   0.207  -3.208   0.651
+ 8721TIP3   OH232471   0.952  -4.023   0.310
+ 8721TIP3    H132472   0.892  -4.051   0.380
+ 8721TIP3    H232473   1.001  -3.952   0.355
+ 8722TIP3   OH232474  -0.177  -3.863   0.471
+ 8722TIP3    H132475  -0.115  -3.800   0.514
+ 8722TIP3    H232476  -0.119  -3.894   0.397
+ 8723TIP3   OH232477  -0.056  -3.082   0.768
+ 8723TIP3    H132478  -0.059  -2.990   0.736
+ 8723TIP3    H232479  -0.143  -3.086   0.812
+ 8724TIP3   OH232480  -0.424  -3.110  -0.146
+ 8724TIP3    H132481  -0.445  -3.066  -0.230
+ 8724TIP3    H232482  -0.410  -3.036  -0.084
+ 8725TIP3   OH232483   0.928  -2.927   0.509
+ 8725TIP3    H132484   0.832  -2.947   0.515
+ 8725TIP3    H232485   0.924  -2.833   0.521
+ 8726TIP3   OH232486   0.961  -4.112   0.704
+ 8726TIP3    H132487   0.882  -4.076   0.662
+ 8726TIP3    H232488   1.029  -4.095   0.635
+ 8727TIP3   OH232489   0.272   4.358   0.399
+ 8727TIP3    H132490   0.249   4.275   0.443
+ 8727TIP3    H232491   0.201   4.417   0.433
+ 8728TIP3   OH232492   0.765  -2.777   0.210
+ 8728TIP3    H132493   0.796  -2.855   0.160
+ 8728TIP3    H232494   0.807  -2.705   0.161
+ 8729TIP3   OH232495   0.896  -2.987   0.054
+ 8729TIP3    H132496   0.848  -3.034  -0.016
+ 8729TIP3    H232497   0.889  -3.052   0.126
+ 8730TIP3   OH232498   1.051  -3.102   0.900
+ 8730TIP3    H132499   1.039  -3.168   0.829
+ 8730TIP3    H232500   1.067  -3.020   0.850
+ 8731TIP3   OH232501   0.477  -3.419  -0.123
+ 8731TIP3    H132502   0.412  -3.357  -0.162
+ 8731TIP3    H232503   0.549  -3.417  -0.187
+ 8732TIP3   OH232504   0.503  -3.595  -0.426
+ 8732TIP3    H132505   0.572  -3.564  -0.364
+ 8732TIP3    H232506   0.557  -3.651  -0.484
+ 8733TIP3   OH232507   1.225  -3.488   0.694
+ 8733TIP3    H132508   1.153  -3.423   0.703
+ 8733TIP3    H232509   1.273  -3.454   0.616
+ 8734TIP3   OH232510   0.829  -3.412  -0.023
+ 8734TIP3    H132511   0.758  -3.393   0.043
+ 8734TIP3    H232512   0.885  -3.472   0.030
+ 8735TIP3   OH232513   0.812  -3.562   0.862
+ 8735TIP3    H132514   0.816  -3.480   0.913
+ 8735TIP3    H232515   0.745  -3.534   0.796
+ 8736TIP3   OH232516  -0.013  -3.337   0.156
+ 8736TIP3    H132517  -0.045  -3.379   0.073
+ 8736TIP3    H232518   0.050  -3.403   0.188
+ 8737TIP3   OH232519   0.124  -2.996   0.428
+ 8737TIP3    H132520   0.111  -3.037   0.342
+ 8737TIP3    H232521   0.203  -3.044   0.461
+ 8738TIP3   OH232522   0.046  -3.460   0.507
+ 8738TIP3    H132523   0.100  -3.457   0.426
+ 8738TIP3    H232524   0.086  -3.389   0.562
+ 8739TIP3   OH232525   0.657  -2.908   0.564
+ 8739TIP3    H132526   0.639  -2.838   0.629
+ 8739TIP3    H232527   0.620  -2.988   0.608
+ 8740TIP3   OH232528   0.128  -3.027   0.990
+ 8740TIP3    H132529   0.078  -2.957   1.036
+ 8740TIP3    H232530   0.065  -3.051   0.919
+ 8741TIP3   OH232531   0.723  -3.470  -0.277
+ 8741TIP3    H132532   0.770  -3.444  -0.195
+ 8741TIP3    H232533   0.772  -3.419  -0.345
+ 8742TIP3   OH232534  -0.176  -3.388   0.903
+ 8742TIP3    H132535  -0.171  -3.326   0.978
+ 8742TIP3    H232536  -0.272  -3.396   0.891
+ 8743TIP3   OH232537   0.476  -2.813   0.083
+ 8743TIP3    H132538   0.519  -2.781   0.163
+ 8743TIP3    H232539   0.416  -2.742   0.059
+ 8744TIP3   OH232540  -0.059  -2.809   1.069
+ 8744TIP3    H132541  -0.071  -2.801   0.972
+ 8744TIP3    H232542  -0.148  -2.832   1.100
+ 8745TIP3   OH232543   1.048  -4.331  -0.352
+ 8745TIP3    H132544   0.990  -4.320  -0.275
+ 8745TIP3    H232545   1.119  -4.268  -0.331
+ 8746TIP3   OH232546  -0.123  -3.459  -0.091
+ 8746TIP3    H132547  -0.143  -3.382  -0.149
+ 8746TIP3    H232548  -0.188  -3.524  -0.122
+ 8747TIP3   OH232549   1.203  -2.877  -0.466
+ 8747TIP3    H132550   1.222  -2.782  -0.453
+ 8747TIP3    H232551   1.291  -2.917  -0.449
+ 8748TIP3   OH232552  -0.514  -3.196   0.782
+ 8748TIP3    H132553  -0.559  -3.193   0.695
+ 8748TIP3    H232554  -0.503  -3.292   0.796
+ 8749TIP3   OH232555  -0.510  -2.905   0.474
+ 8749TIP3    H132556  -0.417  -2.928   0.482
+ 8749TIP3    H232557  -0.520  -2.837   0.542
+ 8750TIP3   OH232558   1.328  -2.840   1.050
+ 8750TIP3    H132559   1.317  -2.935   1.033
+ 8750TIP3    H232560   1.237  -2.815   1.077
+ 8751TIP3   OH232561   0.394  -2.920   0.932
+ 8751TIP3    H132562   0.402  -2.837   0.984
+ 8751TIP3    H232563   0.304  -2.948   0.955
+ 8752TIP3   OH232564  -0.195  -2.622   0.094
+ 8752TIP3    H132565  -0.188  -2.669   0.180
+ 8752TIP3    H232566  -0.278  -2.659   0.061
+ 8753TIP3   OH232567   0.754  -2.595  -0.309
+ 8753TIP3    H132568   0.811  -2.640  -0.375
+ 8753TIP3    H232569   0.752  -2.662  -0.241
+ 8754TIP3   OH232570   1.008  -3.709   1.091
+ 8754TIP3    H132571   0.957  -3.668   1.020
+ 8754TIP3    H232572   1.015  -3.801   1.061
+ 8755TIP3   OH232573  -0.296  -3.041   0.905
+ 8755TIP3    H132574  -0.270  -3.088   0.987
+ 8755TIP3    H232575  -0.370  -3.095   0.872
+ 8756TIP3   OH232576   0.029  -4.220   0.494
+ 8756TIP3    H132577  -0.056  -4.246   0.457
+ 8756TIP3    H232578   0.007  -4.133   0.532
+ 8757TIP3   OH232579   0.479  -4.266   0.852
+ 8757TIP3    H132580   0.500  -4.309   0.936
+ 8757TIP3    H232581   0.383  -4.275   0.848
+ 8758TIP3   OH232582   0.779  -3.864   0.897
+ 8758TIP3    H132583   0.719  -3.874   0.974
+ 8758TIP3    H232584   0.773  -3.768   0.878
+ 8759TIP3   OH232585   0.879  -3.360  -0.475
+ 8759TIP3    H132586   0.857  -3.378  -0.568
+ 8759TIP3    H232587   0.973  -3.336  -0.483
+ 8760TIP3   OH232588   0.433  -3.998  -0.406
+ 8760TIP3    H132589   0.383  -4.006  -0.324
+ 8760TIP3    H232590   0.384  -4.059  -0.465
+ 8761TIP3   OH232591   0.007  -3.716   0.624
+ 8761TIP3    H132592  -0.057  -3.703   0.696
+ 8761TIP3    H232593   0.015  -3.625   0.587
+ 8762TIP3   OH232594   0.009  -3.703   0.111
+ 8762TIP3    H132595  -0.086  -3.720   0.096
+ 8762TIP3    H232596   0.046  -3.730   0.025
+ 8763TIP3   OH232597   0.544  -3.663  -0.005
+ 8763TIP3    H132598   0.499  -3.588  -0.047
+ 8763TIP3    H232599   0.599  -3.697  -0.077
+ 8764TIP3   OH232600   0.485  -3.632   1.123
+ 8764TIP3    H132601   0.433  -3.706   1.160
+ 8764TIP3    H232602   0.571  -3.644   1.166
+ 8765TIP3   OH232603   0.654  -3.703   0.254
+ 8765TIP3    H132604   0.613  -3.652   0.181
+ 8765TIP3    H232605   0.665  -3.788   0.206
+ 8766TIP3   OH232606  -0.252  -3.698   0.805
+ 8766TIP3    H132607  -0.227  -3.667   0.892
+ 8766TIP3    H232608  -0.293  -3.784   0.826
+ 8767TIP3   OH232609   0.081  -3.945  -0.537
+ 8767TIP3    H132610   0.050  -3.979  -0.451
+ 8767TIP3    H232611  -0.002  -3.930  -0.586
+ 8768TIP3   OH232612  -0.577  -3.965   0.173
+ 8768TIP3    H132613  -0.519  -3.954   0.250
+ 8768TIP3    H232614  -0.516  -3.989   0.102
+ 8769TIP3   OH232615  -0.416  -3.911  -0.258
+ 8769TIP3    H132616  -0.360  -3.860  -0.320
+ 8769TIP3    H232617  -0.486  -3.845  -0.240
+ 8770TIP3   OH232618   0.563  -3.544   0.714
+ 8770TIP3    H132619   0.604  -3.616   0.661
+ 8770TIP3    H232620   0.526  -3.592   0.789
+ 8771TIP3   OH232621  -0.266  -3.830   0.088
+ 8771TIP3    H132622  -0.342  -3.798   0.035
+ 8771TIP3    H232623  -0.234  -3.907   0.039
+ 8772TIP3   OH232624   0.111  -3.792  -0.155
+ 8772TIP3    H132625   0.206  -3.792  -0.135
+ 8772TIP3    H232626   0.099  -3.719  -0.218
+ 8773TIP3   OH232627   0.711  -4.038   0.509
+ 8773TIP3    H132628   0.650  -4.036   0.586
+ 8773TIP3    H232629   0.644  -4.060   0.440
+ 8774TIP3   OH232630  -0.055  -3.673  -0.372
+ 8774TIP3    H132631  -0.111  -3.696  -0.447
+ 8774TIP3    H232632   0.029  -3.652  -0.416
+ 8775TIP3   OH232633   1.018  -2.452   1.182
+ 8775TIP3    H132634   1.041  -2.412   1.096
+ 8775TIP3    H232635   1.092  -2.421   1.237
+ 8776TIP3   OH232636  -0.190  -3.198   1.124
+ 8776TIP3    H132637  -0.122  -3.186   1.194
+ 8776TIP3    H232638  -0.270  -3.192   1.180
+ 8777TIP3   OH232639   0.386  -3.696   0.400
+ 8777TIP3    H132640   0.438  -3.747   0.336
+ 8777TIP3    H232641   0.367  -3.764   0.468
+ 8778TIP3   OH232642  -0.102  -4.063   0.019
+ 8778TIP3    H132643  -0.144  -4.150   0.023
+ 8778TIP3    H232644  -0.020  -4.078  -0.030
+ 8779TIP3   OH232645   0.276  -3.853   0.628
+ 8779TIP3    H132646   0.204  -3.789   0.618
+ 8779TIP3    H232647   0.326  -3.819   0.705
+ 8780TIP3   OH232648   0.297  -3.213  -0.187
+ 8780TIP3    H132649   0.221  -3.262  -0.225
+ 8780TIP3    H232650   0.274  -3.209  -0.092
+ 8781TIP3   OH232651   1.015  -3.292   0.686
+ 8781TIP3    H132652   1.065  -3.242   0.618
+ 8781TIP3    H232653   0.930  -3.308   0.640
+ 8782TIP3   OH232654   0.701  -3.925  -0.429
+ 8782TIP3    H132655   0.604  -3.937  -0.417
+ 8782TIP3    H232656   0.724  -3.866  -0.354
+ 8783TIP3   OH232657   0.458  -3.208   0.943
+ 8783TIP3    H132658   0.428  -3.239   1.029
+ 8783TIP3    H232659   0.428  -3.115   0.942
+ 8784TIP3   OH232660   0.772  -3.749  -0.209
+ 8784TIP3    H132661   0.858  -3.761  -0.165
+ 8784TIP3    H232662   0.780  -3.658  -0.244
+ 8785TIP3   OH232663  -0.190  -3.270   0.394
+ 8785TIP3    H132664  -0.138  -3.280   0.313
+ 8785TIP3    H232665  -0.182  -3.358   0.435
+ 8786TIP3   OH232666   0.533  -3.073  -0.297
+ 8786TIP3    H132667   0.507  -2.989  -0.254
+ 8786TIP3    H232668   0.460  -3.132  -0.270
+ 8787TIP3   OH232669  -0.468  -3.444   0.920
+ 8787TIP3    H132670  -0.451  -3.490   1.005
+ 8787TIP3    H232671  -0.527  -3.505   0.873
+ 8788TIP3   OH232672   0.230  -3.495   1.119
+ 8788TIP3    H132673   0.194  -3.517   1.031
+ 8788TIP3    H232674   0.324  -3.519   1.107
+ 8789TIP3   OH232675   0.685  -2.951   0.891
+ 8789TIP3    H132676   0.589  -2.940   0.885
+ 8789TIP3    H232677   0.702  -2.922   0.982
+ 8790TIP3   OH232678   1.238  -3.746  -0.233
+ 8790TIP3    H132679   1.181  -3.764  -0.310
+ 8790TIP3    H232680   1.249  -3.650  -0.246
+ 8791TIP3   OH232681   1.282  -3.141   1.048
+ 8791TIP3    H132682   1.188  -3.118   1.030
+ 8791TIP3    H232683   1.315  -3.158   0.958
+ 8792TIP3   OH232684   1.058  -2.883  -0.219
+ 8792TIP3    H132685   1.038  -2.965  -0.173
+ 8792TIP3    H232686   1.107  -2.913  -0.297
+ 8793TIP3   OH232687   0.783  -3.350   0.515
+ 8793TIP3    H132688   0.689  -3.364   0.491
+ 8793TIP3    H232689   0.825  -3.423   0.465
+ 8794TIP3   OH232690   0.045  -2.941   0.115
+ 8794TIP3    H132691   0.086  -2.854   0.105
+ 8794TIP3    H232692  -0.047  -2.923   0.094
+ 8795TIP3   OH232693  -0.356  -3.463  -0.418
+ 8795TIP3    H132694  -0.299  -3.394  -0.381
+ 8795TIP3    H232695  -0.443  -3.434  -0.388
+ 8796TIP3   OH232696   0.228  -3.171   0.083
+ 8796TIP3    H132697   0.193  -3.081   0.095
+ 8796TIP3    H232698   0.158  -3.224   0.124
+ 8797TIP3   OH232699   0.248  -2.746   0.713
+ 8797TIP3    H132700   0.301  -2.667   0.692
+ 8797TIP3    H232701   0.307  -2.791   0.775
+ 8798TIP3   OH232702   0.096  -2.632   0.040
+ 8798TIP3    H132703  -0.001  -2.636   0.048
+ 8798TIP3    H232704   0.119  -2.562   0.101
+ 8799TIP3   OH232705   0.586  -3.172   0.674
+ 8799TIP3    H132706   0.555  -3.198   0.762
+ 8799TIP3    H232707   0.658  -3.235   0.658
+ 8800TIP3   OH232708   0.805  -3.036  -0.434
+ 8800TIP3    H132709   0.845  -3.086  -0.360
+ 8800TIP3    H232710   0.711  -3.054  -0.414
+ 8801TIP3   OH232711   0.883  -2.714   0.909
+ 8801TIP3    H132712   0.799  -2.750   0.878
+ 8801TIP3    H232713   0.891  -2.632   0.857
+ 8802TIP3   OH232714   1.278  -2.600  -0.390
+ 8802TIP3    H132715   1.349  -2.534  -0.398
+ 8802TIP3    H232716   1.201  -2.540  -0.384
+ 8803TIP3   OH232717  -0.334  -3.961   0.879
+ 8803TIP3    H132718  -0.426  -3.941   0.848
+ 8803TIP3    H232719  -0.351  -4.048   0.922
+ 8804TIP3   OH232720   0.900  -3.177  -0.194
+ 8804TIP3    H132721   0.871  -3.252  -0.139
+ 8804TIP3    H232722   0.997  -3.184  -0.188
+ 8805TIP3   OH232723  -0.357  -2.802   0.720
+ 8805TIP3    H132724  -0.329  -2.893   0.738
+ 8805TIP3    H232725  -0.338  -2.760   0.804
+ 8806TIP3   OH232726   0.230  -2.936  -0.576
+ 8806TIP3    H132727   0.256  -3.016  -0.627
+ 8806TIP3    H232728   0.184  -2.976  -0.500
+ 8807TIP3   OH232729   0.121  -2.985  -0.311
+ 8807TIP3    H132730   0.160  -3.039  -0.241
+ 8807TIP3    H232731   0.125  -2.895  -0.275
+ 8808TIP3   OH232732  -0.203  -3.240  -0.264
+ 8808TIP3    H132733  -0.280  -3.203  -0.216
+ 8808TIP3    H232734  -0.164  -3.158  -0.300
+ 8809TIP3   OH232735   0.557  -4.007   0.744
+ 8809TIP3    H132736   0.621  -3.981   0.812
+ 8809TIP3    H232737   0.521  -4.091   0.778
+ 8810TIP3   OH232738   0.664  -4.071  -0.146
+ 8810TIP3    H132739   0.630  -4.009  -0.211
+ 8810TIP3    H232740   0.641  -4.026  -0.063
+ 8811TIP3   OH232741   0.408  -2.803  -0.234
+ 8811TIP3    H132742   0.315  -2.774  -0.233
+ 8811TIP3    H232743   0.435  -2.781  -0.324
+ 8812TIP3   OH232744   0.400  -3.761   0.873
+ 8812TIP3    H132745   0.411  -3.709   0.954
+ 8812TIP3    H232746   0.460  -3.835   0.888
+ 8813TIP3   OH232747   0.134  -2.716  -0.241
+ 8813TIP3    H132748   0.110  -2.644  -0.303
+ 8813TIP3    H232749   0.109  -2.676  -0.156
+ 8814TIP3   OH232750   0.021  -4.053  -0.282
+ 8814TIP3    H132751   0.023  -3.968  -0.234
+ 8814TIP3    H232752   0.107  -4.090  -0.255
+ 8815TIP3   OH232753   1.040  -3.963   0.953
+ 8815TIP3    H132754   0.943  -3.952   0.943
+ 8815TIP3    H232755   1.061  -3.987   0.862
+ 8816TIP3   OH232756   0.880  -3.573   0.364
+ 8816TIP3    H132757   0.799  -3.616   0.330
+ 8816TIP3    H232758   0.927  -3.648   0.408
+ 8817TIP3   OH232759  -0.162  -2.972  -0.386
+ 8817TIP3    H132760  -0.100  -2.903  -0.358
+ 8817TIP3    H232761  -0.109  -3.016  -0.454
+ 8818TIP3   OH232762  -0.348  -3.745  -0.480
+ 8818TIP3    H132763  -0.333  -3.651  -0.457
+ 8818TIP3    H232764  -0.436  -3.741  -0.520
+ 8819TIP3   OH232765  -0.338  -4.244   0.417
+ 8819TIP3    H132766  -0.297  -4.241   0.329
+ 8819TIP3    H232767  -0.311  -4.333   0.444
+ 8820TIP3   OH232768  -0.363  -2.875   0.022
+ 8820TIP3    H132769  -0.445  -2.829   0.040
+ 8820TIP3    H232770  -0.333  -2.831  -0.059
+ 8821TIP3   OH232771  -0.421  -2.599   1.140
+ 8821TIP3    H132772  -0.370  -2.625   1.219
+ 8821TIP3    H232773  -0.465  -2.682   1.115
+ 8822TIP3   OH232774   0.048  -2.692   1.324
+ 8822TIP3    H132775   0.115  -2.760   1.340
+ 8822TIP3    H232776   0.023  -2.714   1.232
+ 8823TIP3   OH232777   0.450  -2.769  -0.515
+ 8823TIP3    H132778   0.371  -2.824  -0.536
+ 8823TIP3    H232779   0.519  -2.818  -0.563
+ 8824TIP3   OH232780   0.694  -2.870   1.178
+ 8824TIP3    H132781   0.652  -2.948   1.218
+ 8824TIP3    H232782   0.759  -2.843   1.244
+ 8825TIP3   OH232783   0.906  -2.764  -0.507
+ 8825TIP3    H132784   0.919  -2.851  -0.464
+ 8825TIP3    H232785   0.983  -2.761  -0.568
+ 8826TIP3   OH232786  -0.432  -3.238   1.256
+ 8826TIP3    H132787  -0.421  -3.326   1.216
+ 8826TIP3    H232788  -0.507  -3.203   1.204
+ 8827TIP3   OH232789  -0.008  -3.194  -0.544
+ 8827TIP3    H132790   0.009  -3.251  -0.467
+ 8827TIP3    H232791   0.079  -3.197  -0.589
+ 8828TIP3   OH232792   0.233  -3.216   1.189
+ 8828TIP3    H132793   0.202  -3.181   1.104
+ 8828TIP3    H232794   0.239  -3.313   1.172
+ 8829TIP3   OH232795   0.518  -3.060  -0.583
+ 8829TIP3    H132796   0.509  -3.065  -0.486
+ 8829TIP3    H232797   0.512  -3.156  -0.605
+ 8830TIP3   OH232798   0.770  -3.254   0.928
+ 8830TIP3    H132799   0.847  -3.198   0.910
+ 8830TIP3    H232800   0.699  -3.188   0.927
+ 8831TIP3   OH232801  -0.345  -3.526   1.171
+ 8831TIP3    H132802  -0.268  -3.585   1.174
+ 8831TIP3    H232803  -0.349  -3.498   1.264
+ 8832TIP3   OH232804   0.103  -3.386  -0.308
+ 8832TIP3    H132805   0.038  -3.434  -0.255
+ 8832TIP3    H232806   0.130  -3.454  -0.373
+ 8833TIP3   OH232807   0.021  -3.608   0.918
+ 8833TIP3    H132808  -0.034  -3.529   0.933
+ 8833TIP3    H232809   0.084  -3.575   0.852
+ 8834TIP3   OH232810   0.195  -3.585  -0.484
+ 8834TIP3    H132811   0.191  -3.573  -0.581
+ 8834TIP3    H232812   0.291  -3.587  -0.470
+ 8835TIP3   OH232813   0.553  -3.338   1.272
+ 8835TIP3    H132814   0.642  -3.356   1.240
+ 8835TIP3    H232815   0.528  -3.423   1.310
+ 8836TIP3   OH232816   1.147  -3.331  -0.552
+ 8836TIP3    H132817   1.135  -3.373  -0.639
+ 8836TIP3    H232818   1.136  -3.237  -0.576
+ 8837TIP3   OH232819   0.080  -3.879   1.026
+ 8837TIP3    H132820   0.089  -3.943   0.953
+ 8837TIP3    H232821   0.061  -3.797   0.977
+ 8838TIP3   OH232822   0.119  -4.039   0.767
+ 8838TIP3    H132823   0.172  -3.981   0.709
+ 8838TIP3    H232824   0.028  -4.025   0.732
+ 8839TIP3   OH232825   0.271  -3.487   0.816
+ 8839TIP3    H132826   0.353  -3.494   0.765
+ 8839TIP3    H232827   0.237  -3.400   0.785
+ 8840TIP3   OH232828   0.726  -3.693   1.293
+ 8840TIP3    H132829   0.749  -3.787   1.307
+ 8840TIP3    H232830   0.814  -3.653   1.288
+ 8841TIP3   OH232831   0.824  -3.415   1.142
+ 8841TIP3    H132832   0.789  -3.354   1.074
+ 8841TIP3    H232833   0.914  -3.430   1.105
+ 8842TIP3   OH232834  -0.097  -3.698   1.214
+ 8842TIP3    H132835  -0.149  -3.780   1.208
+ 8842TIP3    H232836  -0.018  -3.721   1.163
+ 8843TIP3   OH232837   0.167  -4.278   0.885
+ 8843TIP3    H132838   0.180  -4.186   0.854
+ 8843TIP3    H232839   0.072  -4.285   0.868
+ 8844TIP3   OH232840   0.315  -3.846   1.186
+ 8844TIP3    H132841   0.281  -3.870   1.274
+ 8844TIP3    H232842   0.235  -3.862   1.133
+ 8845TIP3   OH232843   0.574  -3.945   1.084
+ 8845TIP3    H132844   0.485  -3.930   1.121
+ 8845TIP3    H232845   0.610  -4.010   1.147
+ 8846TIP3   OH232846   0.745  -4.137   1.252
+ 8846TIP3    H132847   0.732  -4.224   1.291
+ 8846TIP3    H232848   0.732  -4.077   1.328
+ 8847TIP3   OH232849  -0.216  -3.961   1.197
+ 8847TIP3    H132850  -0.245  -4.019   1.124
+ 8847TIP3    H232851  -0.266  -3.997   1.272
+ 8848TIP3   OH232852   0.276  -4.148   1.299
+ 8848TIP3    H132853   0.254  -4.228   1.250
+ 8848TIP3    H232854   0.192  -4.098   1.300
+ 8849TIP3   OH232855   0.167  -2.443  -0.366
+ 8849TIP3    H132856   0.263  -2.445  -0.369
+ 8849TIP3    H232857   0.146  -2.420  -0.458
+ 8850TIP3   OH232858  -0.447  -3.023  -0.412
+ 8850TIP3    H132859  -0.356  -2.986  -0.414
+ 8850TIP3    H232860  -0.443  -3.087  -0.485
+ 8851TIP3   OH232861  -0.560  -2.513   0.025
+ 8851TIP3    H132862  -0.652  -2.531  -0.000
+ 8851TIP3    H232863  -0.550  -2.572   0.101
+ 8852TIP3   OH232864  -0.497  -2.693   0.249
+ 8852TIP3    H132865  -0.528  -2.780   0.277
+ 8852TIP3    H232866  -0.474  -2.655   0.335
+ 8853TIP3   OH232867   1.244  -2.617   0.837
+ 8853TIP3    H132868   1.194  -2.688   0.795
+ 8853TIP3    H232869   1.303  -2.667   0.895
+ 8854TIP3   OH232870   1.046  -3.086   1.270
+ 8854TIP3    H132871   0.956  -3.077   1.307
+ 8854TIP3    H232872   1.090  -3.004   1.298
+ 8855TIP3   OH232873   1.184  -3.194  -0.157
+ 8855TIP3    H132874   1.275  -3.162  -0.143
+ 8855TIP3    H232875   1.177  -3.259  -0.084
+ 8856TIP3   OH232876   1.230  -3.397   0.040
+ 8856TIP3    H132877   1.164  -3.455   0.082
+ 8856TIP3    H232878   1.299  -3.388   0.109
+ 8857TIP3   OH232879   1.199  -3.147   0.537
+ 8857TIP3    H132880   1.259  -3.200   0.482
+ 8857TIP3    H232881   1.221  -3.057   0.510
+ 8858TIP3   OH232882   1.071  -2.845   0.747
+ 8858TIP3    H132883   1.003  -2.810   0.808
+ 8858TIP3    H232884   1.019  -2.901   0.687
+ 8859TIP3   OH232885   1.257  -3.454  -0.302
+ 8859TIP3    H132886   1.206  -3.426  -0.381
+ 8859TIP3    H232887   1.243  -3.378  -0.244
+ 8860TIP3   OH232888   1.087  -3.700  -0.477
+ 8860TIP3    H132889   1.110  -3.638  -0.548
+ 8860TIP3    H232890   1.059  -3.779  -0.526
+ 8861TIP3   OH232891   1.029  -3.585   0.123
+ 8861TIP3    H132892   1.016  -3.679   0.101
+ 8861TIP3    H232893   0.985  -3.578   0.210
+ 8862TIP3   OH232894  -0.491  -3.368   0.491
+ 8862TIP3    H132895  -0.467  -3.359   0.397
+ 8862TIP3    H232896  -0.403  -3.386   0.530
+ 8863TIP3   OH232897   1.086  -3.392   1.035
+ 8863TIP3    H132898   1.159  -3.455   1.052
+ 8863TIP3    H232899   1.133  -3.309   1.019
+ 8864TIP3   OH232900   1.240  -3.583   1.158
+ 8864TIP3    H132901   1.161  -3.637   1.134
+ 8864TIP3    H232902   1.310  -3.651   1.156
+ 8865TIP3   OH232903   1.026  -3.970  -0.561
+ 8865TIP3    H132904   1.084  -4.012  -0.495
+ 8865TIP3    H232905   0.943  -4.019  -0.551
+ 8866TIP3   OH232906   1.011  -3.826  -0.058
+ 8866TIP3    H132907   1.025  -3.923  -0.054
+ 8866TIP3    H232908   1.092  -3.798  -0.103
+ 8867TIP3   OH232909   1.033  -3.776   0.479
+ 8867TIP3    H132910   1.131  -3.767   0.477
+ 8867TIP3    H232911   1.019  -3.775   0.575
+ 8868TIP3   OH232912   1.048  -3.707   0.766
+ 8868TIP3    H132913   0.964  -3.664   0.791
+ 8868TIP3    H232914   1.104  -3.629   0.743
+ 8869TIP3   OH232915  -0.505  -3.837   1.148
+ 8869TIP3    H132916  -0.414  -3.858   1.123
+ 8869TIP3    H232917  -0.549  -3.923   1.140
+ 8870TIP3   OH232918   1.263  -4.278   1.342
+ 8870TIP3    H132919   1.318  -4.354   1.320
+ 8870TIP3    H232920   1.267  -4.218   1.264
+ 8871TIP3   OH232921   1.038  -4.098  -0.052
+ 8871TIP3    H132922   1.060  -4.150   0.026
+ 8871TIP3    H232923   0.978  -4.158  -0.100
+ 8872TIP3   OH232924  -0.429  -3.989   0.414
+ 8872TIP3    H132925  -0.399  -4.082   0.424
+ 8872TIP3    H232926  -0.350  -3.940   0.443
+ 8873TIP3   OH232927  -0.569  -3.728   0.515
+ 8873TIP3    H132928  -0.510  -3.733   0.439
+ 8873TIP3    H232929  -0.533  -3.651   0.562
+ 8874TIP3   OH232930   1.244  -4.111   1.127
+ 8874TIP3    H132931   1.159  -4.064   1.134
+ 8874TIP3    H232932   1.235  -4.147   1.036
+ 8875TIP3   OH232933   1.251  -4.059  -0.389
+ 8875TIP3    H132934   1.270  -4.143  -0.436
+ 8875TIP3    H232935   1.337  -4.014  -0.390
+ 8876TIP3   OH232936  -0.515  -4.107  -0.085
+ 8876TIP3    H132937  -0.610  -4.091  -0.098
+ 8876TIP3    H232938  -0.474  -4.035  -0.138
+ 8877TIP3   OH232939   0.929  -2.562   0.105
+ 8877TIP3    H132940   0.993  -2.593   0.038
+ 8877TIP3    H232941   0.985  -2.510   0.164
+ 8878TIP3   OH232942  -0.542  -4.127   0.776
+ 8878TIP3    H132943  -0.535  -4.221   0.799
+ 8878TIP3    H232944  -0.557  -4.131   0.681
+ 8879TIP3   OH232945  -0.317  -2.907   1.205
+ 8879TIP3    H132946  -0.388  -2.896   1.141
+ 8879TIP3    H232947  -0.361  -2.893   1.290
+ 8880TIP3   OH232948  -0.031  -2.796   0.769
+ 8880TIP3    H132949  -0.062  -2.709   0.740
+ 8880TIP3    H232950   0.064  -2.786   0.751
+ 8881TIP3   OH232951   0.407  -2.676   1.076
+ 8881TIP3    H132952   0.437  -2.685   1.168
+ 8881TIP3    H232953   0.481  -2.622   1.039
+ 8882TIP3   OH232954   0.621  -2.537   0.995
+ 8882TIP3    H132955   0.704  -2.567   0.958
+ 8882TIP3    H232956   0.649  -2.464   1.051
+ 8883TIP3   OH232957   1.106  -4.276   0.918
+ 8883TIP3    H132958   1.056  -4.215   0.861
+ 8883TIP3    H232959   1.130  -4.343   0.851
+ 8884TIP3   OH232960  -0.289  -2.500   0.806
+ 8884TIP3    H132961  -0.354  -2.445   0.757
+ 8884TIP3    H232962  -0.327  -2.496   0.895
+ 8885TIP3   OH232963  -0.029  -2.513   0.678
+ 8885TIP3    H132964  -0.113  -2.501   0.725
+ 8885TIP3    H232965  -0.041  -2.454   0.602
+ 8886TIP3   OH232966   0.427  -2.513   0.627
+ 8886TIP3    H132967   0.392  -2.462   0.552
+ 8886TIP3    H232968   0.442  -2.443   0.692
+ 8887TIP3   OH232969   0.667  -2.643   0.698
+ 8887TIP3    H132970   0.576  -2.610   0.682
+ 8887TIP3    H232971   0.712  -2.558   0.710
+ 8888TIP3   OH232972   0.934  -2.501   0.703
+ 8888TIP3    H132973   0.904  -2.408   0.714
+ 8888TIP3    H232974   0.951  -2.499   0.608
+ 8889TIP3   OH232975  -0.326  -2.618   0.501
+ 8889TIP3    H132976  -0.336  -2.669   0.584
+ 8889TIP3    H232977  -0.257  -2.670   0.455
+ 8890TIP3   OH232978  -0.132  -2.750   0.342
+ 8890TIP3    H132979  -0.151  -2.842   0.370
+ 8890TIP3    H232980  -0.042  -2.736   0.378
+ 8891TIP3   OH232981   0.140  -2.704   0.433
+ 8891TIP3    H132982   0.158  -2.798   0.414
+ 8891TIP3    H232983   0.152  -2.703   0.529
+ 8892TIP3   OH232984   0.492  -4.115   0.367
+ 8892TIP3    H132985   0.402  -4.149   0.369
+ 8892TIP3    H232986   0.521  -4.131   0.276
+ 8893TIP3   OH232987   1.002  -4.337   0.402
+ 8893TIP3    H132988   1.064  -4.290   0.343
+ 8893TIP3    H232989   0.918  -4.296   0.380
+ 8894TIP3   OH232990   1.198  -4.226   0.191
+ 8894TIP3    H132991   1.247  -4.245   0.110
+ 8894TIP3    H232992   1.213  -4.130   0.201
+ 8895TIP3   OH232993  -0.292  -4.285   0.091
+ 8895TIP3    H132994  -0.384  -4.302   0.072
+ 8895TIP3    H232995  -0.262  -4.369   0.129
+ 8896TIP3   OH232996  -0.433  -4.290  -0.284
+ 8896TIP3    H132997  -0.385  -4.240  -0.353
+ 8896TIP3    H232998  -0.470  -4.217  -0.231
+ 8897TIP3   OH232999   0.204  -4.294   0.122
+ 8897TIP3    H133000   0.228  -4.205   0.085
+ 8897TIP3    H233001   0.133  -4.267   0.182
+ 8898TIP3   OH233002   0.664  -4.304   0.221
+ 8898TIP3    H133003   0.730  -4.259   0.165
+ 8898TIP3    H233004   0.719  -4.357   0.279
+ 8899TIP3   OH233005   0.834  -4.282  -0.164
+ 8899TIP3    H133006   0.766  -4.210  -0.167
+ 8899TIP3    H233007   0.781  -4.360  -0.145
+ 8900TIP3   OH233008  -0.426  -2.698  -0.198
+ 8900TIP3    H133009  -0.469  -2.703  -0.284
+ 8900TIP3    H233010  -0.414  -2.602  -0.193
+ 8901TIP3   OH233011  -0.231  -4.129  -0.429
+ 8901TIP3    H133012  -0.163  -4.157  -0.492
+ 8901TIP3    H233013  -0.180  -4.071  -0.370
+ 8902TIP3   OH233014   0.492  -2.499  -0.339
+ 8902TIP3    H133015   0.581  -2.519  -0.373
+ 8902TIP3    H233016   0.441  -2.562  -0.392
+ 8903TIP3   OH233017   1.130  -2.613  -0.106
+ 8903TIP3    H133018   1.113  -2.696  -0.154
+ 8903TIP3    H233019   1.127  -2.548  -0.178
+ 8904TIP3   OH233020  -0.331  -4.178   1.041
+ 8904TIP3    H133021  -0.375  -4.259   1.070
+ 8904TIP3    H233022  -0.243  -4.214   1.026
+ 8905TIP3   OH233023  -0.037  -4.279   1.304
+ 8905TIP3    H133024   0.050  -4.305   1.266
+ 8905TIP3    H233025  -0.061  -4.358   1.353
+ 8906TIP3   OH233026   1.074  -2.735   1.130
+ 8906TIP3    H133027   0.999  -2.751   1.069
+ 8906TIP3    H233028   1.060  -2.640   1.150
+ 8907TIP3   OH233029   2.497  -3.366   0.144
+ 8907TIP3    H133030   2.496  -3.270   0.154
+ 8907TIP3    H233031   2.420  -3.380   0.087
+ 8908TIP3   OH233032   2.383  -3.422   0.451
+ 8908TIP3    H133033   2.380  -3.479   0.530
+ 8908TIP3    H233034   2.354  -3.484   0.382
+ 8909TIP3   OH233035   1.628  -3.464   0.618
+ 8909TIP3    H133036   1.628  -3.539   0.681
+ 8909TIP3    H233037   1.700  -3.410   0.655
+ 8910TIP3   OH233038   2.751  -3.150   0.283
+ 8910TIP3    H133039   2.712  -3.220   0.338
+ 8910TIP3    H233040   2.777  -3.085   0.350
+ 8911TIP3   OH233041   1.692  -3.002   0.468
+ 8911TIP3    H133042   1.673  -3.095   0.443
+ 8911TIP3    H233043   1.787  -3.010   0.489
+ 8912TIP3   OH233044   1.394  -3.661   0.007
+ 8912TIP3    H133045   1.355  -3.573   0.015
+ 8912TIP3    H233046   1.321  -3.711  -0.033
+ 8913TIP3   OH233047   1.475  -3.413   0.194
+ 8913TIP3    H133048   1.490  -3.498   0.241
+ 8913TIP3    H233049   1.558  -3.404   0.145
+ 8914TIP3   OH233050   2.457  -2.614   0.338
+ 8914TIP3    H133051   2.516  -2.685   0.308
+ 8914TIP3    H233052   2.428  -2.646   0.425
+ 8915TIP3   OH233053   2.230  -3.172   0.508
+ 8915TIP3    H133054   2.263  -3.243   0.450
+ 8915TIP3    H233055   2.312  -3.156   0.559
+ 8916TIP3   OH233056   3.086  -4.017   0.564
+ 8916TIP3    H133057   3.120  -3.972   0.643
+ 8916TIP3    H233058   3.151  -3.988   0.498
+ 8917TIP3   OH233059   2.559  -3.740   0.560
+ 8917TIP3    H133060   2.579  -3.836   0.561
+ 8917TIP3    H233061   2.550  -3.724   0.465
+ 8918TIP3   OH233062   1.854  -3.941   0.269
+ 8918TIP3    H133063   1.872  -3.856   0.224
+ 8918TIP3    H233064   1.823  -3.994   0.194
+ 8919TIP3   OH233065   2.646  -3.922   0.102
+ 8919TIP3    H133066   2.707  -3.964   0.166
+ 8919TIP3    H233067   2.708  -3.877   0.043
+ 8920TIP3   OH233068   1.526  -3.662   0.317
+ 8920TIP3    H133069   1.587  -3.711   0.374
+ 8920TIP3    H233070   1.534  -3.712   0.233
+ 8921TIP3   OH233071   2.065  -3.525   0.263
+ 8921TIP3    H133072   2.135  -3.580   0.302
+ 8921TIP3    H233073   2.014  -3.592   0.213
+ 8922TIP3   OH233074   3.181  -3.847   0.831
+ 8922TIP3    H133075   3.105  -3.797   0.796
+ 8922TIP3    H233076   3.141  -3.891   0.907
+ 8923TIP3   OH233077   1.736  -4.056   0.684
+ 8923TIP3    H133078   1.703  -4.001   0.612
+ 8923TIP3    H233079   1.669  -4.036   0.753
+ 8924TIP3   OH233080   2.487  -3.082   0.022
+ 8924TIP3    H133081   2.456  -3.102  -0.066
+ 8924TIP3    H233082   2.442  -2.997   0.041
+ 8925TIP3   OH233083   2.031  -3.269   0.695
+ 8925TIP3    H133084   1.957  -3.210   0.720
+ 8925TIP3    H233085   2.093  -3.209   0.650
+ 8926TIP3   OH233086   2.834  -4.014   0.305
+ 8926TIP3    H133087   2.785  -4.060   0.373
+ 8926TIP3    H233088   2.885  -3.950   0.357
+ 8927TIP3   OH233089   1.698  -3.856   0.479
+ 8927TIP3    H133090   1.761  -3.795   0.522
+ 8927TIP3    H233091   1.754  -3.890   0.405
+ 8928TIP3   OH233092   1.829  -3.083   0.767
+ 8928TIP3    H133093   1.827  -2.991   0.736
+ 8928TIP3    H233094   1.743  -3.088   0.813
+ 8929TIP3   OH233095   1.460  -3.111  -0.144
+ 8929TIP3    H133096   1.442  -3.063  -0.228
+ 8929TIP3    H233097   1.477  -3.039  -0.080
+ 8930TIP3   OH233098   2.806  -2.967   0.534
+ 8930TIP3    H133099   2.709  -2.956   0.535
+ 8930TIP3    H233100   2.833  -2.881   0.496
+ 8931TIP3   OH233101   2.849  -4.110   0.706
+ 8931TIP3    H133102   2.768  -4.078   0.662
+ 8931TIP3    H233103   2.915  -4.097   0.635
+ 8932TIP3   OH233104   2.159   4.381   0.409
+ 8932TIP3    H133105   2.155   4.285   0.417
+ 8932TIP3    H233106   2.072   4.412   0.439
+ 8933TIP3   OH233107   2.639  -2.776   0.194
+ 8933TIP3    H133108   2.688  -2.852   0.157
+ 8933TIP3    H233109   2.702  -2.703   0.177
+ 8934TIP3   OH233110   2.784  -2.990   0.051
+ 8934TIP3    H133111   2.728  -3.032  -0.016
+ 8934TIP3    H233112   2.775  -3.053   0.125
+ 8935TIP3   OH233113   2.938  -3.105   0.900
+ 8935TIP3    H133114   2.924  -3.169   0.828
+ 8935TIP3    H233115   2.946  -3.021   0.851
+ 8936TIP3   OH233116   2.361  -3.416  -0.130
+ 8936TIP3    H133117   2.295  -3.354  -0.166
+ 8936TIP3    H233118   2.432  -3.409  -0.195
+ 8937TIP3   OH233119   2.390  -3.596  -0.424
+ 8937TIP3    H133120   2.459  -3.565  -0.363
+ 8937TIP3    H233121   2.443  -3.653  -0.483
+ 8938TIP3   OH233122   3.111  -3.487   0.695
+ 8938TIP3    H133123   3.038  -3.423   0.702
+ 8938TIP3    H233124   3.158  -3.453   0.616
+ 8939TIP3   OH233125   2.713  -3.415  -0.022
+ 8939TIP3    H133126   2.644  -3.392   0.045
+ 8939TIP3    H233127   2.773  -3.470   0.031
+ 8940TIP3   OH233128   2.697  -3.562   0.861
+ 8940TIP3    H133129   2.702  -3.480   0.914
+ 8940TIP3    H233130   2.632  -3.533   0.795
+ 8941TIP3   OH233131   1.870  -3.338   0.156
+ 8941TIP3    H133132   1.840  -3.380   0.073
+ 8941TIP3    H233133   1.937  -3.401   0.188
+ 8942TIP3   OH233134   2.006  -2.999   0.431
+ 8942TIP3    H133135   1.997  -3.033   0.341
+ 8942TIP3    H233136   2.087  -3.044   0.462
+ 8943TIP3   OH233137   1.932  -3.458   0.506
+ 8943TIP3    H133138   1.988  -3.453   0.425
+ 8943TIP3    H233139   1.971  -3.389   0.563
+ 8944TIP3   OH233140   2.528  -2.906   0.562
+ 8944TIP3    H133141   2.527  -2.838   0.632
+ 8944TIP3    H233142   2.503  -2.987   0.610
+ 8945TIP3   OH233143   2.015  -3.025   0.989
+ 8945TIP3    H133144   1.964  -2.957   1.036
+ 8945TIP3    H233145   1.951  -3.051   0.919
+ 8946TIP3   OH233146   2.609  -3.473  -0.276
+ 8946TIP3    H133147   2.655  -3.443  -0.195
+ 8946TIP3    H233148   2.658  -3.420  -0.345
+ 8947TIP3   OH233149   1.709  -3.385   0.900
+ 8947TIP3    H133150   1.714  -3.327   0.978
+ 8947TIP3    H233151   1.613  -3.398   0.892
+ 8948TIP3   OH233152   2.355  -2.810   0.081
+ 8948TIP3    H133153   2.398  -2.777   0.160
+ 8948TIP3    H233154   2.306  -2.732   0.049
+ 8949TIP3   OH233155   1.826  -2.808   1.070
+ 8949TIP3    H133156   1.815  -2.801   0.973
+ 8949TIP3    H233157   1.737  -2.833   1.101
+ 8950TIP3   OH233158   2.927  -4.321  -0.354
+ 8950TIP3    H133159   2.885  -4.324  -0.268
+ 8950TIP3    H233160   3.006  -4.269  -0.333
+ 8951TIP3   OH233161   1.763  -3.463  -0.090
+ 8951TIP3    H133162   1.745  -3.387  -0.148
+ 8951TIP3    H233163   1.698  -3.527  -0.120
+ 8952TIP3   OH233164   3.089  -2.884  -0.471
+ 8952TIP3    H133165   3.104  -2.789  -0.450
+ 8952TIP3    H233166   3.177  -2.922  -0.452
+ 8953TIP3   OH233167   1.368  -3.197   0.781
+ 8953TIP3    H133168   1.328  -3.201   0.693
+ 8953TIP3    H233169   1.384  -3.291   0.800
+ 8954TIP3   OH233170   1.369  -2.896   0.488
+ 8954TIP3    H133171   1.455  -2.938   0.471
+ 8954TIP3    H233172   1.391  -2.846   0.568
+ 8955TIP3   OH233173   3.214  -2.841   1.052
+ 8955TIP3    H133174   3.203  -2.936   1.032
+ 8955TIP3    H233175   3.123  -2.818   1.080
+ 8956TIP3   OH233176   2.280  -2.920   0.933
+ 8956TIP3    H133177   2.287  -2.837   0.983
+ 8956TIP3    H233178   2.189  -2.949   0.954
+ 8957TIP3   OH233179   2.317  -2.540  -0.073
+ 8957TIP3    H133180   2.309  -2.525  -0.169
+ 8957TIP3    H233181   2.308  -2.451  -0.037
+ 8958TIP3   OH233182   1.697  -2.638   0.084
+ 8958TIP3    H133183   1.705  -2.665   0.177
+ 8958TIP3    H233184   1.605  -2.661   0.064
+ 8959TIP3   OH233185   2.640  -2.595  -0.353
+ 8959TIP3    H133186   2.695  -2.662  -0.398
+ 8959TIP3    H233187   2.632  -2.633  -0.263
+ 8960TIP3   OH233188   2.578  -2.655  -0.073
+ 8960TIP3    H133189   2.484  -2.633  -0.062
+ 8960TIP3    H233190   2.587  -2.727  -0.008
+ 8961TIP3   OH233191   2.895  -3.708   1.092
+ 8961TIP3    H133192   2.843  -3.668   1.020
+ 8961TIP3    H233193   2.901  -3.801   1.062
+ 8962TIP3   OH233194   1.590  -3.042   0.908
+ 8962TIP3    H133195   1.617  -3.090   0.989
+ 8962TIP3    H233196   1.517  -3.097   0.873
+ 8963TIP3   OH233197   1.911  -4.220   0.498
+ 8963TIP3    H133198   1.829  -4.242   0.452
+ 8963TIP3    H233199   1.887  -4.136   0.539
+ 8964TIP3   OH233200   2.367  -4.262   0.855
+ 8964TIP3    H133201   2.385  -4.309   0.937
+ 8964TIP3    H233202   2.272  -4.278   0.845
+ 8965TIP3   OH233203   2.664  -3.863   0.898
+ 8965TIP3    H133204   2.604  -3.875   0.974
+ 8965TIP3    H233205   2.657  -3.768   0.879
+ 8966TIP3   OH233206   2.763  -3.365  -0.477
+ 8966TIP3    H133207   2.743  -3.380  -0.571
+ 8966TIP3    H233208   2.856  -3.336  -0.481
+ 8967TIP3   OH233209   2.329  -3.994  -0.430
+ 8967TIP3    H133210   2.274  -4.004  -0.350
+ 8967TIP3    H233211   2.279  -4.054  -0.490
+ 8968TIP3   OH233212   1.895  -3.716   0.624
+ 8968TIP3    H133213   1.836  -3.703   0.700
+ 8968TIP3    H233214   1.903  -3.625   0.588
+ 8969TIP3   OH233215   1.889  -3.709   0.113
+ 8969TIP3    H133216   1.794  -3.717   0.096
+ 8969TIP3    H233217   1.925  -3.727   0.023
+ 8970TIP3   OH233218   2.451  -3.652  -0.011
+ 8970TIP3    H133219   2.410  -3.569  -0.044
+ 8970TIP3    H233220   2.518  -3.667  -0.080
+ 8971TIP3   OH233221   2.370  -3.632   1.123
+ 8971TIP3    H133222   2.318  -3.706   1.160
+ 8971TIP3    H233223   2.456  -3.644   1.166
+ 8972TIP3   OH233224   2.536  -3.711   0.267
+ 8972TIP3    H133225   2.507  -3.653   0.194
+ 8972TIP3    H233226   2.557  -3.792   0.216
+ 8973TIP3   OH233227   1.631  -3.696   0.806
+ 8973TIP3    H133228   1.659  -3.669   0.894
+ 8973TIP3    H233229   1.592  -3.784   0.825
+ 8974TIP3   OH233230   1.968  -3.944  -0.536
+ 8974TIP3    H133231   1.933  -3.979  -0.452
+ 8974TIP3    H233232   1.888  -3.926  -0.587
+ 8975TIP3   OH233233   1.311  -3.956   0.171
+ 8975TIP3    H133234   1.369  -3.956   0.249
+ 8975TIP3    H233235   1.367  -3.993   0.101
+ 8976TIP3   OH233236   1.472  -3.911  -0.258
+ 8976TIP3    H133237   1.525  -3.860  -0.322
+ 8976TIP3    H233238   1.400  -3.847  -0.240
+ 8977TIP3   OH233239   2.446  -3.543   0.713
+ 8977TIP3    H133240   2.489  -3.616   0.663
+ 8977TIP3    H233241   2.412  -3.591   0.790
+ 8978TIP3   OH233242   2.167  -3.943   0.211
+ 8978TIP3    H133243   2.073  -3.958   0.232
+ 8978TIP3    H233244   2.209  -3.972   0.293
+ 8979TIP3   OH233245   1.622  -3.827   0.082
+ 8979TIP3    H133246   1.542  -3.798   0.036
+ 8979TIP3    H233247   1.649  -3.908   0.035
+ 8980TIP3   OH233248   1.986  -3.790  -0.148
+ 8980TIP3    H133249   2.083  -3.783  -0.146
+ 8980TIP3    H233250   1.960  -3.733  -0.223
+ 8981TIP3   OH233251   2.601  -4.033   0.516
+ 8981TIP3    H133252   2.537  -4.035   0.590
+ 8981TIP3    H233253   2.543  -4.063   0.444
+ 8982TIP3   OH233254   1.834  -3.673  -0.373
+ 8982TIP3    H133255   1.774  -3.695  -0.446
+ 8982TIP3    H233256   1.914  -3.648  -0.421
+ 8983TIP3   OH233257   2.906  -2.458   1.182
+ 8983TIP3    H133258   2.925  -2.412   1.099
+ 8983TIP3    H233259   2.976  -2.425   1.241
+ 8984TIP3   OH233260   1.697  -3.196   1.125
+ 8984TIP3    H133261   1.765  -3.187   1.195
+ 8984TIP3    H233262   1.616  -3.195   1.180
+ 8985TIP3   OH233263   2.268  -3.694   0.398
+ 8985TIP3    H133264   2.340  -3.738   0.349
+ 8985TIP3    H233265   2.252  -3.757   0.471
+ 8986TIP3   OH233266   1.781  -4.066   0.019
+ 8986TIP3    H133267   1.736  -4.152   0.032
+ 8986TIP3    H233268   1.866  -4.093  -0.018
+ 8987TIP3   OH233269   2.164  -3.849   0.623
+ 8987TIP3    H133270   2.089  -3.788   0.622
+ 8987TIP3    H233271   2.214  -3.822   0.703
+ 8988TIP3   OH233272   2.179  -3.210  -0.189
+ 8988TIP3    H133273   2.103  -3.260  -0.225
+ 8988TIP3    H233274   2.159  -3.205  -0.093
+ 8989TIP3   OH233275   2.901  -3.294   0.685
+ 8989TIP3    H133276   2.951  -3.239   0.620
+ 8989TIP3    H233277   2.816  -3.305   0.639
+ 8990TIP3   OH233278   2.596  -3.930  -0.428
+ 8990TIP3    H133279   2.498  -3.938  -0.425
+ 8990TIP3    H233280   2.615  -3.863  -0.360
+ 8991TIP3   OH233281   2.344  -3.208   0.943
+ 8991TIP3    H133282   2.313  -3.240   1.029
+ 8991TIP3    H233283   2.313  -3.116   0.943
+ 8992TIP3   OH233284   2.661  -3.750  -0.213
+ 8992TIP3    H133285   2.748  -3.762  -0.170
+ 8992TIP3    H233286   2.670  -3.659  -0.250
+ 8993TIP3   OH233287   1.694  -3.270   0.393
+ 8993TIP3    H133288   1.749  -3.281   0.313
+ 8993TIP3    H233289   1.703  -3.357   0.436
+ 8994TIP3   OH233290   2.419  -3.074  -0.295
+ 8994TIP3    H133291   2.392  -2.987  -0.260
+ 8994TIP3    H233292   2.342  -3.128  -0.269
+ 8995TIP3   OH233293   1.417  -3.442   0.920
+ 8995TIP3    H133294   1.435  -3.487   1.005
+ 8995TIP3    H233295   1.359  -3.505   0.874
+ 8996TIP3   OH233296   2.116  -3.493   1.118
+ 8996TIP3    H133297   2.082  -3.517   1.030
+ 8996TIP3    H233298   2.209  -3.520   1.108
+ 8997TIP3   OH233299   2.570  -2.950   0.891
+ 8997TIP3    H133300   2.474  -2.942   0.883
+ 8997TIP3    H233301   2.585  -2.924   0.983
+ 8998TIP3   OH233302   3.123  -3.746  -0.233
+ 8998TIP3    H133303   3.066  -3.765  -0.310
+ 8998TIP3    H233304   3.134  -3.649  -0.246
+ 8999TIP3   OH233305   3.169  -3.139   1.047
+ 8999TIP3    H133306   3.075  -3.119   1.028
+ 8999TIP3    H233307   3.201  -3.159   0.957
+ 9000TIP3   OH233308   2.943  -2.883  -0.222
+ 9000TIP3    H133309   2.922  -2.962  -0.170
+ 9000TIP3    H233310   2.995  -2.920  -0.296
+ 9001TIP3   OH233311   2.667  -3.351   0.516
+ 9001TIP3    H133312   2.574  -3.365   0.491
+ 9001TIP3    H233313   2.711  -3.422   0.465
+ 9002TIP3   OH233314   1.928  -2.940   0.122
+ 9002TIP3    H133315   1.972  -2.854   0.108
+ 9002TIP3    H233316   1.839  -2.919   0.094
+ 9003TIP3   OH233317   1.531  -3.463  -0.419
+ 9003TIP3    H133318   1.587  -3.394  -0.381
+ 9003TIP3    H233319   1.442  -3.434  -0.388
+ 9004TIP3   OH233320   2.114  -3.174   0.081
+ 9004TIP3    H133321   2.086  -3.082   0.095
+ 9004TIP3    H233322   2.041  -3.222   0.124
+ 9005TIP3   OH233323   2.130  -2.747   0.717
+ 9005TIP3    H133324   2.184  -2.672   0.686
+ 9005TIP3    H233325   2.194  -2.795   0.773
+ 9006TIP3   OH233326   1.974  -2.655   0.042
+ 9006TIP3    H133327   1.879  -2.635   0.047
+ 9006TIP3    H233328   2.013  -2.567   0.064
+ 9007TIP3   OH233329   2.471  -3.172   0.673
+ 9007TIP3    H133330   2.442  -3.200   0.762
+ 9007TIP3    H233331   2.545  -3.233   0.656
+ 9008TIP3   OH233332   2.688  -3.043  -0.435
+ 9008TIP3    H133333   2.730  -3.087  -0.359
+ 9008TIP3    H233334   2.595  -3.055  -0.410
+ 9009TIP3   OH233335   2.767  -2.715   0.912
+ 9009TIP3    H133336   2.690  -2.761   0.871
+ 9009TIP3    H233337   2.774  -2.635   0.856
+ 9010TIP3   OH233338   3.164  -2.615  -0.382
+ 9010TIP3    H133339   3.230  -2.550  -0.408
+ 9010TIP3    H233340   3.085  -2.558  -0.379
+ 9011TIP3   OH233341   1.552  -3.961   0.878
+ 9011TIP3    H133342   1.461  -3.943   0.847
+ 9011TIP3    H233343   1.536  -4.047   0.922
+ 9012TIP3   OH233344   2.784  -3.181  -0.197
+ 9012TIP3    H133345   2.758  -3.252  -0.136
+ 9012TIP3    H233346   2.881  -3.182  -0.187
+ 9013TIP3   OH233347   1.521  -2.808   0.722
+ 9013TIP3    H133348   1.563  -2.894   0.738
+ 9013TIP3    H233349   1.547  -2.761   0.803
+ 9014TIP3   OH233350   2.113  -2.936  -0.578
+ 9014TIP3    H133351   2.141  -3.016  -0.626
+ 9014TIP3    H233352   2.070  -2.975  -0.500
+ 9015TIP3   OH233353   1.997  -2.985  -0.306
+ 9015TIP3    H133354   2.049  -3.036  -0.242
+ 9015TIP3    H233355   2.011  -2.893  -0.275
+ 9016TIP3   OH233356   1.681  -3.241  -0.265
+ 9016TIP3    H133357   1.608  -3.202  -0.214
+ 9016TIP3    H233358   1.727  -3.161  -0.296
+ 9017TIP3   OH233359   2.442  -4.007   0.745
+ 9017TIP3    H133360   2.505  -3.981   0.813
+ 9017TIP3    H233361   2.406  -4.092   0.779
+ 9018TIP3   OH233362   2.522  -4.058  -0.141
+ 9018TIP3    H133363   2.526  -3.997  -0.216
+ 9018TIP3    H233364   2.556  -4.002  -0.069
+ 9019TIP3   OH233365   2.290  -2.826  -0.244
+ 9019TIP3    H133366   2.211  -2.773  -0.223
+ 9019TIP3    H233367   2.328  -2.774  -0.317
+ 9020TIP3   OH233368   2.256  -3.853  -0.041
+ 9020TIP3    H133369   2.328  -3.788  -0.027
+ 9020TIP3    H233370   2.225  -3.867   0.051
+ 9021TIP3   OH233371   2.288  -3.761   0.871
+ 9021TIP3    H133372   2.296  -3.710   0.953
+ 9021TIP3    H233373   2.344  -3.837   0.889
+ 9022TIP3   OH233374   2.327  -4.173   0.060
+ 9022TIP3    H133375   2.292  -4.097   0.110
+ 9022TIP3    H233376   2.381  -4.128  -0.008
+ 9023TIP3   OH233377   2.011  -2.715  -0.243
+ 9023TIP3    H133378   2.006  -2.634  -0.299
+ 9023TIP3    H233379   1.996  -2.679  -0.154
+ 9024TIP3   OH233380   1.880  -4.051  -0.291
+ 9024TIP3    H133381   1.882  -3.969  -0.238
+ 9024TIP3    H233382   1.968  -4.087  -0.269
+ 9025TIP3   OH233383   2.926  -3.963   0.953
+ 9025TIP3    H133384   2.829  -3.952   0.944
+ 9025TIP3    H233385   2.945  -3.989   0.862
+ 9026TIP3   OH233386   2.767  -3.574   0.363
+ 9026TIP3    H133387   2.685  -3.619   0.336
+ 9026TIP3    H233388   2.816  -3.646   0.409
+ 9027TIP3   OH233389   1.723  -2.963  -0.389
+ 9027TIP3    H133390   1.795  -2.909  -0.351
+ 9027TIP3    H233391   1.773  -3.010  -0.457
+ 9028TIP3   OH233392   1.538  -3.745  -0.479
+ 9028TIP3    H133393   1.550  -3.651  -0.456
+ 9028TIP3    H233394   1.451  -3.743  -0.522
+ 9029TIP3   OH233395   2.870  -2.689   0.503
+ 9029TIP3    H133396   2.849  -2.609   0.451
+ 9029TIP3    H233397   2.963  -2.672   0.525
+ 9030TIP3   OH233398   1.551  -4.242   0.418
+ 9030TIP3    H133399   1.590  -4.241   0.330
+ 9030TIP3    H233400   1.574  -4.333   0.444
+ 9031TIP3   OH233401   1.513  -2.879   0.037
+ 9031TIP3    H133402   1.432  -2.830   0.023
+ 9031TIP3    H233403   1.569  -2.842  -0.032
+ 9032TIP3   OH233404   1.459  -2.596   1.143
+ 9032TIP3    H133405   1.515  -2.624   1.218
+ 9032TIP3    H233406   1.419  -2.681   1.115
+ 9033TIP3   OH233407   1.928  -2.694   1.323
+ 9033TIP3    H133408   1.998  -2.757   1.342
+ 9033TIP3    H233409   1.906  -2.717   1.231
+ 9034TIP3   OH233410   2.335  -2.766  -0.528
+ 9034TIP3    H133411   2.259  -2.827  -0.537
+ 9034TIP3    H233412   2.405  -2.821  -0.567
+ 9035TIP3   OH233413   2.578  -2.866   1.178
+ 9035TIP3    H133414   2.537  -2.946   1.215
+ 9035TIP3    H233415   2.645  -2.844   1.245
+ 9036TIP3   OH233416   2.797  -2.775  -0.515
+ 9036TIP3    H133417   2.814  -2.857  -0.467
+ 9036TIP3    H233418   2.873  -2.770  -0.576
+ 9037TIP3   OH233419   1.455  -3.236   1.255
+ 9037TIP3    H133420   1.464  -3.326   1.220
+ 9037TIP3    H233421   1.378  -3.204   1.203
+ 9038TIP3   OH233422   1.876  -3.194  -0.544
+ 9038TIP3    H133423   1.894  -3.252  -0.468
+ 9038TIP3    H233424   1.963  -3.196  -0.589
+ 9039TIP3   OH233425   2.119  -3.216   1.189
+ 9039TIP3    H133426   2.088  -3.182   1.103
+ 9039TIP3    H233427   2.125  -3.312   1.173
+ 9040TIP3   OH233428   2.401  -3.061  -0.582
+ 9040TIP3    H133429   2.395  -3.064  -0.485
+ 9040TIP3    H233430   2.395  -3.157  -0.603
+ 9041TIP3   OH233431   2.655  -3.254   0.929
+ 9041TIP3    H133432   2.733  -3.200   0.907
+ 9041TIP3    H233433   2.585  -3.188   0.926
+ 9042TIP3   OH233434   1.541  -3.523   1.171
+ 9042TIP3    H133435   1.616  -3.585   1.173
+ 9042TIP3    H233436   1.537  -3.499   1.265
+ 9043TIP3   OH233437   1.986  -3.385  -0.310
+ 9043TIP3    H133438   1.925  -3.437  -0.255
+ 9043TIP3    H233439   2.016  -3.453  -0.373
+ 9044TIP3   OH233440   1.906  -3.609   0.915
+ 9044TIP3    H133441   1.853  -3.530   0.935
+ 9044TIP3    H233442   1.972  -3.573   0.852
+ 9045TIP3   OH233443   2.080  -3.584  -0.484
+ 9045TIP3    H133444   2.076  -3.575  -0.581
+ 9045TIP3    H233445   2.176  -3.587  -0.469
+ 9046TIP3   OH233446   2.438  -3.338   1.272
+ 9046TIP3    H133447   2.528  -3.357   1.240
+ 9046TIP3    H233448   2.412  -3.422   1.311
+ 9047TIP3   OH233449   3.034  -3.332  -0.552
+ 9047TIP3    H133450   3.021  -3.372  -0.639
+ 9047TIP3    H233451   3.021  -3.237  -0.574
+ 9048TIP3   OH233452   1.966  -3.879   1.026
+ 9048TIP3    H133453   1.974  -3.944   0.954
+ 9048TIP3    H233454   1.946  -3.797   0.977
+ 9049TIP3   OH233455   2.004  -4.037   0.768
+ 9049TIP3    H133456   2.057  -3.982   0.707
+ 9049TIP3    H233457   1.913  -4.026   0.734
+ 9050TIP3   OH233458   2.155  -3.487   0.815
+ 9050TIP3    H133459   2.239  -3.495   0.766
+ 9050TIP3    H233460   2.123  -3.400   0.784
+ 9051TIP3   OH233461   2.612  -3.693   1.292
+ 9051TIP3    H133462   2.632  -3.786   1.309
+ 9051TIP3    H233463   2.701  -3.654   1.288
+ 9052TIP3   OH233464   2.710  -3.415   1.142
+ 9052TIP3    H133465   2.675  -3.354   1.074
+ 9052TIP3    H233466   2.799  -3.430   1.105
+ 9053TIP3   OH233467   1.787  -3.696   1.209
+ 9053TIP3    H133468   1.736  -3.778   1.210
+ 9053TIP3    H233469   1.868  -3.725   1.164
+ 9054TIP3   OH233470   2.051  -4.277   0.890
+ 9054TIP3    H133471   2.066  -4.187   0.855
+ 9054TIP3    H233472   1.957  -4.287   0.868
+ 9055TIP3   OH233473   2.200  -3.844   1.186
+ 9055TIP3    H133474   2.169  -3.871   1.274
+ 9055TIP3    H233475   2.119  -3.863   1.134
+ 9056TIP3   OH233476   2.459  -3.944   1.084
+ 9056TIP3    H133477   2.370  -3.930   1.121
+ 9056TIP3    H233478   2.495  -4.010   1.147
+ 9057TIP3   OH233479   2.635  -4.137   1.254
+ 9057TIP3    H133480   2.616  -4.224   1.291
+ 9057TIP3    H233481   2.617  -4.077   1.328
+ 9058TIP3   OH233482   1.667  -3.960   1.196
+ 9058TIP3    H133483   1.640  -4.020   1.125
+ 9058TIP3    H233484   1.622  -3.998   1.274
+ 9059TIP3   OH233485   2.163  -4.145   1.294
+ 9059TIP3    H133486   2.140  -4.228   1.249
+ 9059TIP3    H233487   2.078  -4.099   1.302
+ 9060TIP3   OH233488   2.059  -2.466  -0.378
+ 9060TIP3    H133489   2.152  -2.444  -0.360
+ 9060TIP3    H233490   2.044  -2.410  -0.456
+ 9061TIP3   OH233491   1.448  -3.022  -0.418
+ 9061TIP3    H133492   1.544  -3.001  -0.408
+ 9061TIP3    H233493   1.450  -3.097  -0.479
+ 9062TIP3   OH233494   1.357  -2.496   0.052
+ 9062TIP3    H133495   1.286  -2.527  -0.006
+ 9062TIP3    H233496   1.360  -2.562   0.123
+ 9063TIP3   OH233497   1.351  -2.701   0.277
+ 9063TIP3    H133498   1.379  -2.794   0.273
+ 9063TIP3    H233499   1.424  -2.664   0.331
+ 9064TIP3   OH233500   3.142  -2.573   0.552
+ 9064TIP3    H133501   3.158  -2.576   0.648
+ 9064TIP3    H233502   3.227  -2.543   0.518
+ 9065TIP3   OH233503   3.134  -2.628   0.840
+ 9065TIP3    H133504   3.079  -2.700   0.803
+ 9065TIP3    H233505   3.186  -2.677   0.905
+ 9066TIP3   OH233506   2.931  -3.086   1.269
+ 9066TIP3    H133507   2.842  -3.077   1.308
+ 9066TIP3    H233508   2.976  -3.004   1.299
+ 9067TIP3   OH233509   3.071  -3.195  -0.158
+ 9067TIP3    H133510   3.161  -3.162  -0.142
+ 9067TIP3    H233511   3.062  -3.258  -0.085
+ 9068TIP3   OH233512   3.117  -3.398   0.039
+ 9068TIP3    H133513   3.050  -3.455   0.082
+ 9068TIP3    H233514   3.185  -3.387   0.108
+ 9069TIP3   OH233515   3.091  -3.149   0.540
+ 9069TIP3    H133516   3.150  -3.198   0.481
+ 9069TIP3    H233517   3.100  -3.058   0.507
+ 9070TIP3   OH233518   2.961  -2.857   0.762
+ 9070TIP3    H133519   2.887  -2.816   0.811
+ 9070TIP3    H233520   2.916  -2.892   0.683
+ 9071TIP3   OH233521   3.143  -3.454  -0.303
+ 9071TIP3    H133522   3.091  -3.425  -0.381
+ 9071TIP3    H233523   3.129  -3.379  -0.243
+ 9072TIP3   OH233524   2.971  -3.699  -0.477
+ 9072TIP3    H133525   2.996  -3.638  -0.547
+ 9072TIP3    H233526   2.945  -3.779  -0.527
+ 9073TIP3   OH233527   2.912  -3.584   0.122
+ 9073TIP3    H133528   2.903  -3.679   0.103
+ 9073TIP3    H233529   2.872  -3.576   0.211
+ 9074TIP3   OH233530   1.394  -3.361   0.492
+ 9074TIP3    H133531   1.418  -3.359   0.398
+ 9074TIP3    H233532   1.480  -3.384   0.532
+ 9075TIP3   OH233533   2.971  -3.393   1.037
+ 9075TIP3    H133534   3.045  -3.454   1.052
+ 9075TIP3    H233535   3.016  -3.310   1.015
+ 9076TIP3   OH233536   3.127  -3.584   1.158
+ 9076TIP3    H133537   3.047  -3.636   1.134
+ 9076TIP3    H233538   3.196  -3.653   1.155
+ 9077TIP3   OH233539   2.912  -3.969  -0.561
+ 9077TIP3    H133540   2.971  -4.012  -0.496
+ 9077TIP3    H233541   2.829  -4.018  -0.550
+ 9078TIP3   OH233542   2.894  -3.827  -0.059
+ 9078TIP3    H133543   2.911  -3.924  -0.054
+ 9078TIP3    H233544   2.976  -3.797  -0.102
+ 9079TIP3   OH233545   2.919  -3.774   0.479
+ 9079TIP3    H133546   3.017  -3.768   0.477
+ 9079TIP3    H233547   2.905  -3.776   0.575
+ 9080TIP3   OH233548   2.934  -3.706   0.766
+ 9080TIP3    H133549   2.850  -3.665   0.791
+ 9080TIP3    H233550   2.989  -3.629   0.743
+ 9081TIP3   OH233551   1.380  -3.836   1.144
+ 9081TIP3    H133552   1.472  -3.858   1.127
+ 9081TIP3    H233553   1.337  -3.923   1.141
+ 9082TIP3   OH233554   3.152  -4.275   1.343
+ 9082TIP3    H133555   3.198  -4.356   1.319
+ 9082TIP3    H233556   3.152  -4.218   1.263
+ 9083TIP3   OH233557   2.923  -4.099  -0.051
+ 9083TIP3    H133558   2.947  -4.150   0.027
+ 9083TIP3    H233559   2.861  -4.160  -0.095
+ 9084TIP3   OH233560   1.456  -3.990   0.412
+ 9084TIP3    H133561   1.487  -4.083   0.423
+ 9084TIP3    H233562   1.531  -3.940   0.449
+ 9085TIP3   OH233563   1.316  -3.728   0.514
+ 9085TIP3    H133564   1.375  -3.734   0.437
+ 9085TIP3    H233565   1.355  -3.654   0.562
+ 9086TIP3   OH233566   3.129  -4.111   1.127
+ 9086TIP3    H133567   3.044  -4.064   1.133
+ 9086TIP3    H233568   3.120  -4.147   1.036
+ 9087TIP3   OH233569   3.137  -4.057  -0.392
+ 9087TIP3    H133570   3.155  -4.143  -0.436
+ 9087TIP3    H233571   3.224  -4.015  -0.390
+ 9088TIP3   OH233572   1.371  -4.102  -0.080
+ 9088TIP3    H133573   1.276  -4.094  -0.099
+ 9088TIP3    H233574   1.410  -4.033  -0.138
+ 9089TIP3   OH233575   2.831  -2.570   0.132
+ 9089TIP3    H133576   2.878  -2.593   0.050
+ 9089TIP3    H233577   2.901  -2.532   0.186
+ 9090TIP3   OH233578   1.349  -4.128   0.773
+ 9090TIP3    H133579   1.347  -4.222   0.799
+ 9090TIP3    H233580   1.327  -4.133   0.679
+ 9091TIP3   OH233581   1.570  -2.900   1.205
+ 9091TIP3    H133582   1.498  -2.897   1.140
+ 9091TIP3    H233583   1.522  -2.897   1.289
+ 9092TIP3   OH233584   1.853  -2.797   0.772
+ 9092TIP3    H133585   1.823  -2.712   0.736
+ 9092TIP3    H233586   1.949  -2.789   0.754
+ 9093TIP3   OH233587   2.306  -2.669   1.073
+ 9093TIP3    H133588   2.320  -2.684   1.168
+ 9093TIP3    H233589   2.388  -2.622   1.047
+ 9094TIP3   OH233590   2.534  -2.521   0.997
+ 9094TIP3    H133591   2.602  -2.587   0.974
+ 9094TIP3    H233592   2.564  -2.492   1.085
+ 9095TIP3   OH233593   2.993  -4.276   0.917
+ 9095TIP3    H133594   2.942  -4.214   0.862
+ 9095TIP3    H233595   3.013  -4.344   0.851
+ 9096TIP3   OH233596   1.588  -2.506   0.802
+ 9096TIP3    H133597   1.531  -2.442   0.757
+ 9096TIP3    H233598   1.559  -2.495   0.893
+ 9097TIP3   OH233599   1.840  -2.525   0.657
+ 9097TIP3    H133600   1.756  -2.503   0.703
+ 9097TIP3    H233601   1.843  -2.457   0.588
+ 9098TIP3   OH233602   2.316  -2.526   0.616
+ 9098TIP3    H133603   2.277  -2.484   0.536
+ 9098TIP3    H233604   2.323  -2.449   0.675
+ 9099TIP3   OH233605   2.548  -2.654   0.709
+ 9099TIP3    H133606   2.464  -2.619   0.675
+ 9099TIP3    H233607   2.603  -2.574   0.704
+ 9100TIP3   OH233608   2.806  -2.481   0.728
+ 9100TIP3    H133609   2.796  -2.386   0.704
+ 9100TIP3    H233610   2.829  -2.518   0.641
+ 9101TIP3   OH233611   1.521  -2.628   0.494
+ 9101TIP3    H133612   1.525  -2.658   0.587
+ 9101TIP3    H233613   1.610  -2.653   0.463
+ 9102TIP3   OH233614   1.742  -2.742   0.350
+ 9102TIP3    H133615   1.733  -2.836   0.375
+ 9102TIP3    H233616   1.834  -2.723   0.374
+ 9103TIP3   OH233617   2.023  -2.702   0.431
+ 9103TIP3    H133618   2.044  -2.794   0.409
+ 9103TIP3    H233619   2.032  -2.704   0.527
+ 9104TIP3   OH233620   2.357  -4.112   0.362
+ 9104TIP3    H133621   2.294  -4.182   0.389
+ 9104TIP3    H233622   2.416  -4.161   0.302
+ 9105TIP3   OH233623   2.885  -4.330   0.407
+ 9105TIP3    H133624   2.945  -4.289   0.342
+ 9105TIP3    H233625   2.798  -4.305   0.373
+ 9106TIP3   OH233626   3.080  -4.225   0.189
+ 9106TIP3    H133627   3.136  -4.246   0.113
+ 9106TIP3    H233628   3.099  -4.130   0.201
+ 9107TIP3   OH233629   1.593  -4.284   0.091
+ 9107TIP3    H133630   1.501  -4.304   0.073
+ 9107TIP3    H233631   1.626  -4.365   0.130
+ 9108TIP3   OH233632   1.450  -4.291  -0.282
+ 9108TIP3    H133633   1.496  -4.244  -0.354
+ 9108TIP3    H233634   1.414  -4.217  -0.231
+ 9109TIP3   OH233635   2.041  -4.227   0.121
+ 9109TIP3    H133636   2.135  -4.235   0.098
+ 9109TIP3    H233637   2.029  -4.293   0.189
+ 9110TIP3   OH233638   2.599  -4.265   0.257
+ 9110TIP3    H133639   2.631  -4.262   0.165
+ 9110TIP3    H233640   2.583  -4.359   0.271
+ 9111TIP3   OH233641   2.708  -4.272  -0.147
+ 9111TIP3    H133642   2.632  -4.213  -0.168
+ 9111TIP3    H233643   2.668  -4.360  -0.151
+ 9112TIP3   OH233644   1.478  -2.697  -0.180
+ 9112TIP3    H133645   1.421  -2.700  -0.258
+ 9112TIP3    H233646   1.493  -2.601  -0.173
+ 9113TIP3   OH233647   1.642  -4.128  -0.439
+ 9113TIP3    H133648   1.713  -4.160  -0.497
+ 9113TIP3    H233649   1.694  -4.074  -0.376
+ 9114TIP3   OH233650   2.166  -4.061  -0.211
+ 9114TIP3    H133651   2.173  -4.143  -0.159
+ 9114TIP3    H233652   2.185  -3.991  -0.144
+ 9115TIP3   OH233653   2.362  -2.515  -0.365
+ 9115TIP3    H133654   2.459  -2.511  -0.371
+ 9115TIP3    H233655   2.342  -2.578  -0.435
+ 9116TIP3   OH233656   3.015  -2.610  -0.108
+ 9116TIP3    H133657   2.989  -2.694  -0.151
+ 9116TIP3    H233658   3.004  -2.548  -0.182
+ 9117TIP3   OH233659   1.555  -4.179   1.039
+ 9117TIP3    H133660   1.510  -4.258   1.072
+ 9117TIP3    H233661   1.644  -4.215   1.027
+ 9118TIP3   OH233662   1.848  -4.278   1.304
+ 9118TIP3    H133663   1.935  -4.305   1.266
+ 9118TIP3    H233664   1.825  -4.356   1.355
+ 9119TIP3   OH233665   1.635  -2.608  -0.497
+ 9119TIP3    H133666   1.617  -2.569  -0.410
+ 9119TIP3    H233667   1.718  -2.655  -0.484
+ 9120TIP3   OH233668   2.963  -2.734   1.130
+ 9120TIP3    H133669   2.889  -2.754   1.069
+ 9120TIP3    H233670   2.943  -2.640   1.151
+ 9121TIP3   OH233671   4.211  -3.455   0.459
+ 9121TIP3    H133672   4.292  -3.430   0.509
+ 9121TIP3    H233673   4.245  -3.462   0.369
+ 9122TIP3   OH233674   3.514  -3.464   0.618
+ 9122TIP3    H133675   3.513  -3.539   0.681
+ 9122TIP3    H233676   3.587  -3.410   0.654
+ 9123TIP3   OH233677   3.581  -3.000   0.469
+ 9123TIP3    H133678   3.556  -3.091   0.443
+ 9123TIP3    H233679   3.674  -3.014   0.491
+ 9124TIP3   OH233680   3.280  -3.661   0.007
+ 9124TIP3    H133681   3.240  -3.573   0.015
+ 9124TIP3    H233682   3.207  -3.710  -0.033
+ 9125TIP3   OH233683   3.361  -3.413   0.193
+ 9125TIP3    H133684   3.375  -3.497   0.241
+ 9125TIP3    H233685   3.444  -3.405   0.145
+ 9126TIP3   OH233686   4.120  -3.171   0.518
+ 9126TIP3    H133687   4.144  -3.246   0.462
+ 9126TIP3    H233688   4.203  -3.151   0.562
+ 9127TIP3   OH233689   3.742  -3.941   0.269
+ 9127TIP3    H133690   3.759  -3.856   0.225
+ 9127TIP3    H233691   3.708  -3.993   0.194
+ 9128TIP3   OH233692   3.412  -3.662   0.316
+ 9128TIP3    H133693   3.473  -3.711   0.374
+ 9128TIP3    H233694   3.420  -3.712   0.233
+ 9129TIP3   OH233695   3.951  -3.528   0.265
+ 9129TIP3    H133696   4.027  -3.581   0.299
+ 9129TIP3    H233697   3.902  -3.598   0.217
+ 9130TIP3   OH233698   3.622  -4.056   0.685
+ 9130TIP3    H133699   3.589  -4.001   0.612
+ 9130TIP3    H233700   3.555  -4.036   0.753
+ 9131TIP3   OH233701   3.916  -3.276   0.697
+ 9131TIP3    H133702   3.843  -3.215   0.722
+ 9131TIP3    H233703   3.981  -3.215   0.658
+ 9132TIP3   OH233704   3.584  -3.856   0.478
+ 9132TIP3    H133705   3.647  -3.795   0.521
+ 9132TIP3    H233706   3.640  -3.890   0.405
+ 9133TIP3   OH233707   3.715  -3.083   0.769
+ 9133TIP3    H133708   3.712  -2.991   0.736
+ 9133TIP3    H233709   3.628  -3.089   0.812
+ 9134TIP3   OH233710   3.348  -3.112  -0.144
+ 9134TIP3    H133711   3.327  -3.063  -0.226
+ 9134TIP3    H233712   3.363  -3.041  -0.078
+ 9135TIP3   OH233713   4.048   4.380   0.411
+ 9135TIP3    H133714   4.042   4.283   0.418
+ 9135TIP3    H233715   3.960   4.411   0.439
+ 9136TIP3   OH233716   4.267  -3.428  -0.143
+ 9136TIP3    H133717   4.198  -3.360  -0.152
+ 9136TIP3    H233718   4.330  -3.400  -0.208
+ 9137TIP3   OH233719   4.291  -3.579  -0.424
+ 9137TIP3    H133720   4.367  -3.584  -0.364
+ 9137TIP3    H233721   4.293  -3.662  -0.472
+ 9138TIP3   OH233722   3.759  -3.339   0.156
+ 9138TIP3    H133723   3.728  -3.382   0.074
+ 9138TIP3    H233724   3.823  -3.404   0.190
+ 9139TIP3   OH233725   3.898  -2.998   0.431
+ 9139TIP3    H133726   3.888  -3.039   0.344
+ 9139TIP3    H233727   3.977  -3.045   0.465
+ 9140TIP3   OH233728   3.816  -3.457   0.504
+ 9140TIP3    H133729   3.875  -3.459   0.427
+ 9140TIP3    H233730   3.858  -3.391   0.562
+ 9141TIP3   OH233731   3.904  -3.021   0.986
+ 9141TIP3    H133732   3.851  -2.957   1.036
+ 9141TIP3    H233733   3.840  -3.050   0.918
+ 9142TIP3   OH233734   3.595  -3.386   0.901
+ 9142TIP3    H133735   3.599  -3.328   0.978
+ 9142TIP3    H233736   3.499  -3.398   0.891
+ 9143TIP3   OH233737   4.250  -2.815   0.075
+ 9143TIP3    H133738   4.299  -2.765   0.143
+ 9143TIP3    H233739   4.199  -2.745   0.032
+ 9144TIP3   OH233740   3.710  -2.802   1.071
+ 9144TIP3    H133741   3.700  -2.803   0.974
+ 9144TIP3    H233742   3.622  -2.833   1.102
+ 9145TIP3   OH233743   3.650  -3.463  -0.091
+ 9145TIP3    H133744   3.630  -3.387  -0.148
+ 9145TIP3    H233745   3.583  -3.527  -0.119
+ 9146TIP3   OH233746   3.257  -3.196   0.781
+ 9146TIP3    H133747   3.212  -3.196   0.695
+ 9146TIP3    H233748   3.269  -3.291   0.798
+ 9147TIP3   OH233749   3.262  -2.901   0.473
+ 9147TIP3    H133750   3.354  -2.933   0.480
+ 9147TIP3    H233751   3.256  -2.844   0.551
+ 9148TIP3   OH233752   4.172  -2.920   0.936
+ 9148TIP3    H133753   4.179  -2.832   0.976
+ 9148TIP3    H233754   4.082  -2.949   0.959
+ 9149TIP3   OH233755   4.178  -2.534  -0.073
+ 9149TIP3    H133756   4.204  -2.538  -0.166
+ 9149TIP3    H233757   4.211  -2.449  -0.043
+ 9150TIP3   OH233758   3.574  -2.622   0.092
+ 9150TIP3    H133759   3.587  -2.670   0.177
+ 9150TIP3    H233760   3.493  -2.664   0.060
+ 9151TIP3   OH233761   3.474  -3.040   0.907
+ 9151TIP3    H133762   3.502  -3.089   0.987
+ 9151TIP3    H233763   3.401  -3.095   0.872
+ 9152TIP3   OH233764   3.798  -4.221   0.499
+ 9152TIP3    H133765   3.716  -4.247   0.454
+ 9152TIP3    H233766   3.771  -4.137   0.539
+ 9153TIP3   OH233767   4.226  -4.306   0.859
+ 9153TIP3    H133768   4.256  -4.315   0.950
+ 9153TIP3    H233769   4.133  -4.280   0.870
+ 9154TIP3   OH233770   4.225  -3.988  -0.428
+ 9154TIP3    H133771   4.164  -4.000  -0.353
+ 9154TIP3    H233772   4.186  -4.052  -0.490
+ 9155TIP3   OH233773   3.779  -3.714   0.624
+ 9155TIP3    H133774   3.717  -3.703   0.698
+ 9155TIP3    H233775   3.787  -3.624   0.587
+ 9156TIP3   OH233776   3.774  -3.710   0.113
+ 9156TIP3    H133777   3.679  -3.718   0.096
+ 9156TIP3    H233778   3.810  -3.726   0.023
+ 9157TIP3   OH233779   4.278  -3.671   0.062
+ 9157TIP3    H133780   4.280  -3.575   0.045
+ 9157TIP3    H233781   4.371  -3.695   0.072
+ 9158TIP3   OH233782   4.250  -3.626   1.144
+ 9158TIP3    H133783   4.193  -3.705   1.156
+ 9158TIP3    H233784   4.337  -3.670   1.147
+ 9159TIP3   OH233785   3.520  -3.697   0.806
+ 9159TIP3    H133786   3.542  -3.668   0.895
+ 9159TIP3    H233787   3.478  -3.784   0.823
+ 9160TIP3   OH233788   3.859  -3.936  -0.534
+ 9160TIP3    H133789   3.822  -3.977  -0.454
+ 9160TIP3    H233790   3.782  -3.926  -0.591
+ 9161TIP3   OH233791   3.197  -3.955   0.170
+ 9161TIP3    H133792   3.254  -3.956   0.249
+ 9161TIP3    H233793   3.253  -3.994   0.101
+ 9162TIP3   OH233794   3.357  -3.911  -0.257
+ 9162TIP3    H133795   3.411  -3.860  -0.322
+ 9162TIP3    H233796   3.286  -3.847  -0.240
+ 9163TIP3   OH233797   4.351  -3.572   0.748
+ 9163TIP3    H133798   4.380  -3.638   0.682
+ 9163TIP3    H233799   4.272  -3.616   0.783
+ 9164TIP3   OH233800   4.050  -3.970   0.209
+ 9164TIP3    H133801   3.957  -3.963   0.236
+ 9164TIP3    H233802   4.095  -3.955   0.294
+ 9165TIP3   OH233803   3.509  -3.826   0.082
+ 9165TIP3    H133804   3.427  -3.799   0.036
+ 9165TIP3    H233805   3.535  -3.908   0.035
+ 9166TIP3   OH233806   3.869  -3.791  -0.149
+ 9166TIP3    H133807   3.966  -3.784  -0.145
+ 9166TIP3    H233808   3.844  -3.732  -0.222
+ 9167TIP3   OH233809   3.722  -3.670  -0.374
+ 9167TIP3    H133810   3.662  -3.694  -0.446
+ 9167TIP3    H233811   3.804  -3.654  -0.424
+ 9168TIP3   OH233812   3.582  -3.193   1.124
+ 9168TIP3    H133813   3.650  -3.186   1.195
+ 9168TIP3    H233814   3.502  -3.197   1.180
+ 9169TIP3   OH233815   4.139  -3.734   0.356
+ 9169TIP3    H133816   4.216  -3.765   0.309
+ 9169TIP3    H233817   4.165  -3.746   0.449
+ 9170TIP3   OH233818   3.667  -4.066   0.020
+ 9170TIP3    H133819   3.621  -4.151   0.031
+ 9170TIP3    H233820   3.751  -4.094  -0.020
+ 9171TIP3   OH233821   4.049  -3.859   0.628
+ 9171TIP3    H133822   3.980  -3.793   0.609
+ 9171TIP3    H233823   4.100  -3.815   0.698
+ 9172TIP3   OH233824   4.073  -3.225  -0.185
+ 9172TIP3    H133825   3.994  -3.270  -0.222
+ 9172TIP3    H233826   4.049  -3.214  -0.090
+ 9173TIP3   OH233827   4.205  -3.224   0.938
+ 9173TIP3    H133828   4.184  -3.234   1.031
+ 9173TIP3    H233829   4.214  -3.128   0.927
+ 9174TIP3   OH233830   3.580  -3.270   0.393
+ 9174TIP3    H133831   3.635  -3.281   0.314
+ 9174TIP3    H233832   3.589  -3.356   0.437
+ 9175TIP3   OH233833   4.286  -3.082  -0.289
+ 9175TIP3    H133834   4.260  -2.993  -0.259
+ 9175TIP3    H233835   4.211  -3.135  -0.256
+ 9176TIP3   OH233836   3.303  -3.443   0.920
+ 9176TIP3    H133837   3.319  -3.489   1.005
+ 9176TIP3    H233838   3.244  -3.504   0.873
+ 9177TIP3   OH233839   4.002  -3.492   1.122
+ 9177TIP3    H133840   3.966  -3.523   1.037
+ 9177TIP3    H233841   4.095  -3.518   1.112
+ 9178TIP3   OH233842   3.815  -2.942   0.119
+ 9178TIP3    H133843   3.858  -2.856   0.106
+ 9178TIP3    H233844   3.723  -2.923   0.094
+ 9179TIP3   OH233845   3.415  -3.463  -0.420
+ 9179TIP3    H133846   3.473  -3.394  -0.381
+ 9179TIP3    H233847   3.328  -3.435  -0.388
+ 9180TIP3   OH233848   3.995  -3.174   0.079
+ 9180TIP3    H133849   3.968  -3.082   0.095
+ 9180TIP3    H233850   3.924  -3.223   0.122
+ 9181TIP3   OH233851   4.020  -2.743   0.721
+ 9181TIP3    H133852   4.079  -2.673   0.686
+ 9181TIP3    H233853   4.083  -2.798   0.769
+ 9182TIP3   OH233854   3.859  -2.652   0.041
+ 9182TIP3    H133855   3.763  -2.637   0.049
+ 9182TIP3    H233856   3.895  -2.564   0.063
+ 9183TIP3   OH233857   3.437  -3.961   0.879
+ 9183TIP3    H133858   3.346  -3.943   0.847
+ 9183TIP3    H233859   3.422  -4.047   0.922
+ 9184TIP3   OH233860   3.414  -2.802   0.721
+ 9184TIP3    H133861   3.440  -2.894   0.735
+ 9184TIP3    H233862   3.435  -2.765   0.808
+ 9185TIP3   OH233863   3.994  -2.933  -0.577
+ 9185TIP3    H133864   4.030  -3.010  -0.626
+ 9185TIP3    H233865   3.957  -2.977  -0.499
+ 9186TIP3   OH233866   3.887  -2.990  -0.303
+ 9186TIP3    H133867   3.934  -3.040  -0.235
+ 9186TIP3    H233868   3.899  -2.898  -0.272
+ 9187TIP3   OH233869   3.567  -3.241  -0.266
+ 9187TIP3    H133870   3.493  -3.203  -0.214
+ 9187TIP3    H233871   3.612  -3.160  -0.295
+ 9188TIP3   OH233872   4.330  -3.929   0.794
+ 9188TIP3    H133873   4.391  -4.003   0.782
+ 9188TIP3    H233874   4.269  -3.954   0.722
+ 9189TIP3   OH233875   4.169  -2.822  -0.249
+ 9189TIP3    H133876   4.088  -2.773  -0.229
+ 9189TIP3    H233877   4.209  -2.769  -0.318
+ 9190TIP3   OH233878   4.133  -3.868  -0.042
+ 9190TIP3    H133879   4.195  -3.796  -0.014
+ 9190TIP3    H233880   4.097  -3.889   0.046
+ 9191TIP3   OH233881   4.147  -3.763   0.891
+ 9191TIP3    H133882   4.184  -3.702   0.956
+ 9191TIP3    H233883   4.221  -3.826   0.876
+ 9192TIP3   OH233884   4.203  -4.171   0.088
+ 9192TIP3    H133885   4.170  -4.084   0.121
+ 9192TIP3    H233886   4.269  -4.146   0.021
+ 9193TIP3   OH233887   3.895  -2.717  -0.244
+ 9193TIP3    H133888   3.889  -2.636  -0.298
+ 9193TIP3    H233889   3.882  -2.682  -0.154
+ 9194TIP3   OH233890   3.766  -4.050  -0.292
+ 9194TIP3    H133891   3.767  -3.968  -0.240
+ 9194TIP3    H233892   3.855  -4.084  -0.272
+ 9195TIP3   OH233893   3.611  -2.961  -0.389
+ 9195TIP3    H133894   3.685  -2.911  -0.349
+ 9195TIP3    H233895   3.659  -3.010  -0.456
+ 9196TIP3   OH233896   3.424  -3.743  -0.479
+ 9196TIP3    H133897   3.436  -3.649  -0.456
+ 9196TIP3    H233898   3.337  -3.743  -0.520
+ 9197TIP3   OH233899   3.435  -4.242   0.417
+ 9197TIP3    H133900   3.476  -4.243   0.330
+ 9197TIP3    H233901   3.457  -4.332   0.446
+ 9198TIP3   OH233902   3.407  -2.888   0.029
+ 9198TIP3    H133903   3.327  -2.838   0.052
+ 9198TIP3    H233904   3.441  -2.836  -0.045
+ 9199TIP3   OH233905   3.346  -2.597   1.140
+ 9199TIP3    H133906   3.404  -2.625   1.213
+ 9199TIP3    H233907   3.307  -2.682   1.112
+ 9200TIP3   OH233908   3.818  -2.689   1.319
+ 9200TIP3    H133909   3.882  -2.758   1.342
+ 9200TIP3    H233910   3.790  -2.718   1.231
+ 9201TIP3   OH233911   4.230  -2.768  -0.544
+ 9201TIP3    H133912   4.147  -2.820  -0.545
+ 9201TIP3    H233913   4.294  -2.841  -0.559
+ 9202TIP3   OH233914   3.341  -3.235   1.254
+ 9202TIP3    H133915   3.350  -3.326   1.221
+ 9202TIP3    H233916   3.264  -3.204   1.203
+ 9203TIP3   OH233917   3.763  -3.192  -0.543
+ 9203TIP3    H133918   3.779  -3.251  -0.468
+ 9203TIP3    H233919   3.848  -3.196  -0.589
+ 9204TIP3   OH233920   4.007  -3.214   1.187
+ 9204TIP3    H133921   3.979  -3.182   1.099
+ 9204TIP3    H233922   4.015  -3.310   1.173
+ 9205TIP3   OH233923   4.261  -3.060  -0.589
+ 9205TIP3    H133924   4.278  -3.050  -0.494
+ 9205TIP3    H233925   4.242  -3.155  -0.595
+ 9206TIP3   OH233926   3.428  -3.522   1.172
+ 9206TIP3    H133927   3.502  -3.585   1.173
+ 9206TIP3    H233928   3.422  -3.500   1.266
+ 9207TIP3   OH233929   3.871  -3.386  -0.312
+ 9207TIP3    H133930   3.809  -3.436  -0.257
+ 9207TIP3    H233931   3.902  -3.457  -0.373
+ 9208TIP3   OH233932   3.797  -3.604   0.920
+ 9208TIP3    H133933   3.739  -3.527   0.934
+ 9208TIP3    H233934   3.852  -3.574   0.846
+ 9209TIP3   OH233935   3.979  -3.585  -0.481
+ 9209TIP3    H133936   3.969  -3.579  -0.578
+ 9209TIP3    H233937   4.074  -3.572  -0.471
+ 9210TIP3   OH233938   4.283  -3.359   1.287
+ 9210TIP3    H133939   4.353  -3.389   1.228
+ 9210TIP3    H233940   4.266  -3.440   1.337
+ 9211TIP3   OH233941   3.853  -3.879   1.029
+ 9211TIP3    H133942   3.863  -3.942   0.957
+ 9211TIP3    H233943   3.840  -3.796   0.980
+ 9212TIP3   OH233944   3.891  -4.037   0.767
+ 9212TIP3    H133945   3.942  -3.978   0.708
+ 9212TIP3    H233946   3.800  -4.025   0.734
+ 9213TIP3   OH233947   4.068  -3.493   0.804
+ 9213TIP3    H133948   4.136  -3.491   0.736
+ 9213TIP3    H233949   4.029  -3.405   0.793
+ 9214TIP3   OH233950   3.675  -3.698   1.212
+ 9214TIP3    H133951   3.622  -3.780   1.209
+ 9214TIP3    H233952   3.754  -3.725   1.162
+ 9215TIP3   OH233953   3.934  -4.272   0.893
+ 9215TIP3    H133954   3.944  -4.183   0.852
+ 9215TIP3    H233955   3.844  -4.291   0.865
+ 9216TIP3   OH233956   4.106  -3.856   1.184
+ 9216TIP3    H133957   4.069  -3.887   1.268
+ 9216TIP3    H233958   4.031  -3.875   1.124
+ 9217TIP3   OH233959   3.552  -3.959   1.196
+ 9217TIP3    H133960   3.526  -4.020   1.124
+ 9217TIP3    H233961   3.507  -3.998   1.273
+ 9218TIP3   OH233962   4.054  -4.146   1.300
+ 9218TIP3    H133963   4.028  -4.228   1.255
+ 9218TIP3    H233964   3.970  -4.096   1.303
+ 9219TIP3   OH233965   3.956  -2.458  -0.369
+ 9219TIP3    H133966   4.053  -2.456  -0.369
+ 9219TIP3    H233967   3.937  -2.417  -0.454
+ 9220TIP3   OH233968   3.335  -3.021  -0.419
+ 9220TIP3    H133969   3.430  -3.002  -0.408
+ 9220TIP3    H233970   3.335  -3.098  -0.479
+ 9221TIP3   OH233971   3.234  -2.500   0.051
+ 9221TIP3    H133972   3.163  -2.537  -0.004
+ 9221TIP3    H233973   3.242  -2.569   0.121
+ 9222TIP3   OH233974   3.273  -2.698   0.251
+ 9222TIP3    H133975   3.243  -2.786   0.281
+ 9222TIP3    H233976   3.305  -2.663   0.335
+ 9223TIP3   OH233977   3.280  -3.364   0.491
+ 9223TIP3    H133978   3.305  -3.359   0.397
+ 9223TIP3    H233979   3.367  -3.386   0.531
+ 9224TIP3   OH233980   3.267  -3.836   1.147
+ 9224TIP3    H133981   3.358  -3.859   1.125
+ 9224TIP3    H233982   3.222  -3.921   1.140
+ 9225TIP3   OH233983   3.341  -3.990   0.412
+ 9225TIP3    H133984   3.372  -4.082   0.421
+ 9225TIP3    H233985   3.417  -3.940   0.448
+ 9226TIP3   OH233986   3.202  -3.728   0.515
+ 9226TIP3    H133987   3.261  -3.733   0.438
+ 9226TIP3    H233988   3.240  -3.652   0.562
+ 9227TIP3   OH233989   3.256  -4.103  -0.080
+ 9227TIP3    H133990   3.161  -4.094  -0.099
+ 9227TIP3    H233991   3.295  -4.034  -0.137
+ 9228TIP3   OH233992   3.233  -4.126   0.773
+ 9228TIP3    H133993   3.233  -4.221   0.799
+ 9228TIP3    H233994   3.213  -4.134   0.678
+ 9229TIP3   OH233995   3.456  -2.892   1.205
+ 9229TIP3    H133996   3.384  -2.900   1.140
+ 9229TIP3    H233997   3.408  -2.903   1.289
+ 9230TIP3   OH233998   3.740  -2.797   0.772
+ 9230TIP3    H133999   3.710  -2.713   0.736
+ 9230TIP3    H234000   3.836  -2.789   0.755
+ 9231TIP3   OH234001   4.219  -2.633   1.062
+ 9231TIP3    H134002   4.205  -2.672   1.150
+ 9231TIP3    H234003   4.314  -2.614   1.067
+ 9232TIP3   OH234004   3.480  -2.498   0.806
+ 9232TIP3    H134005   3.417  -2.440   0.760
+ 9232TIP3    H234006   3.439  -2.504   0.893
+ 9233TIP3   OH234007   3.730  -2.522   0.665
+ 9233TIP3    H134008   3.643  -2.507   0.707
+ 9233TIP3    H234009   3.730  -2.457   0.592
+ 9234TIP3   OH234010   4.195  -2.548   0.618
+ 9234TIP3    H134011   4.178  -2.500   0.535
+ 9234TIP3    H234012   4.258  -2.490   0.663
+ 9235TIP3   OH234013   3.438  -2.621   0.502
+ 9235TIP3    H134014   3.434  -2.673   0.585
+ 9235TIP3    H234015   3.510  -2.668   0.455
+ 9236TIP3   OH234016   3.636  -2.747   0.345
+ 9236TIP3    H134017   3.621  -2.841   0.369
+ 9236TIP3    H234018   3.728  -2.734   0.375
+ 9237TIP3   OH234019   3.913  -2.698   0.432
+ 9237TIP3    H134020   3.935  -2.790   0.408
+ 9237TIP3    H234021   3.921  -2.703   0.529
+ 9238TIP3   OH234022   4.258  -4.142   0.369
+ 9238TIP3    H134023   4.180  -4.198   0.385
+ 9238TIP3    H234024   4.288  -4.176   0.284
+ 9239TIP3   OH234025   3.478  -4.282   0.093
+ 9239TIP3    H134026   3.387  -4.306   0.072
+ 9239TIP3    H234027   3.513  -4.365   0.127
+ 9240TIP3   OH234028   3.337  -4.291  -0.282
+ 9240TIP3    H134029   3.383  -4.245  -0.354
+ 9240TIP3    H234030   3.302  -4.216  -0.230
+ 9241TIP3   OH234031   3.934  -4.248   0.100
+ 9241TIP3    H134032   4.029  -4.225   0.105
+ 9241TIP3    H234033   3.919  -4.288   0.186
+ 9242TIP3   OH234034   3.381  -2.696  -0.177
+ 9242TIP3    H134035   3.316  -2.710  -0.248
+ 9242TIP3    H234036   3.378  -2.599  -0.170
+ 9243TIP3   OH234037   3.529  -4.124  -0.442
+ 9243TIP3    H134038   3.599  -4.163  -0.497
+ 9243TIP3    H234039   3.582  -4.074  -0.378
+ 9244TIP3   OH234040   4.053  -4.063  -0.217
+ 9244TIP3    H134041   4.065  -4.149  -0.172
+ 9244TIP3    H234042   4.064  -3.998  -0.145
+ 9245TIP3   OH234043   4.263  -2.532  -0.369
+ 9245TIP3    H134044   4.352  -2.495  -0.387
+ 9245TIP3    H234045   4.249  -2.591  -0.445
+ 9246TIP3   OH234046   3.441  -4.178   1.041
+ 9246TIP3    H134047   3.395  -4.258   1.071
+ 9246TIP3    H234048   3.529  -4.216   1.026
+ 9247TIP3   OH234049   3.733  -4.278   1.305
+ 9247TIP3    H134050   3.820  -4.304   1.267
+ 9247TIP3    H234051   3.708  -4.359   1.351
+ 9248TIP3   OH234052   3.524  -2.602  -0.497
+ 9248TIP3    H134053   3.498  -2.574  -0.408
+ 9248TIP3    H234054   3.600  -2.659  -0.481
+ 9249TIP3   OH234055  -3.162  -1.481   0.142
+ 9249TIP3    H134056  -3.157  -1.385   0.157
+ 9249TIP3    H234057  -3.242  -1.487   0.090
+ 9250TIP3   OH234058  -3.266  -1.533   0.451
+ 9250TIP3    H134059  -3.265  -1.585   0.534
+ 9250TIP3    H234060  -3.288  -1.599   0.384
+ 9251TIP3   OH234061  -4.031  -1.577   0.619
+ 9251TIP3    H134062  -4.030  -1.651   0.682
+ 9251TIP3    H234063  -3.956  -1.524   0.650
+ 9252TIP3   OH234064  -2.904  -1.249   0.301
+ 9252TIP3    H134065  -2.936  -1.315   0.363
+ 9252TIP3    H234066  -2.893  -1.172   0.357
+ 9253TIP3   OH234067  -3.958  -1.116   0.470
+ 9253TIP3    H134068  -3.982  -1.205   0.439
+ 9253TIP3    H234069  -3.861  -1.126   0.480
+ 9254TIP3   OH234070  -4.297  -1.737   0.068
+ 9254TIP3    H134071  -4.300  -1.653   0.117
+ 9254TIP3    H234072  -4.389  -1.762   0.059
+ 9255TIP3   OH234073  -4.211  -1.517   0.202
+ 9255TIP3    H134074  -4.176  -1.590   0.258
+ 9255TIP3    H234075  -4.129  -1.480   0.167
+ 9256TIP3   OH234076  -3.419  -1.290   0.514
+ 9256TIP3    H134077  -3.380  -1.361   0.460
+ 9256TIP3    H234078  -3.338  -1.267   0.565
+ 9257TIP3   OH234079  -2.558  -2.131   0.565
+ 9257TIP3    H134080  -2.533  -2.078   0.643
+ 9257TIP3    H234081  -2.487  -2.108   0.502
+ 9258TIP3   OH234082  -3.099  -1.854   0.559
+ 9258TIP3    H134083  -3.082  -1.949   0.562
+ 9258TIP3    H234084  -3.104  -1.838   0.463
+ 9259TIP3   OH234085  -3.803  -2.052   0.267
+ 9259TIP3    H134086  -3.784  -1.966   0.222
+ 9259TIP3    H234087  -3.834  -2.105   0.191
+ 9260TIP3   OH234088  -3.013  -2.034   0.098
+ 9260TIP3    H134089  -2.958  -2.075   0.168
+ 9260TIP3    H234090  -2.944  -1.992   0.044
+ 9261TIP3   OH234091  -4.140  -1.775   0.328
+ 9261TIP3    H134092  -4.074  -1.821   0.382
+ 9261TIP3    H234093  -4.128  -1.819   0.242
+ 9262TIP3   OH234094  -3.592  -1.638   0.261
+ 9262TIP3    H134095  -3.521  -1.691   0.302
+ 9262TIP3    H234096  -3.644  -1.707   0.216
+ 9263TIP3   OH234097  -2.504  -2.005   0.811
+ 9263TIP3    H134098  -2.526  -1.914   0.787
+ 9263TIP3    H234099  -2.488  -1.994   0.905
+ 9264TIP3   OH234100  -3.920  -2.171   0.683
+ 9264TIP3    H134101  -3.962  -2.125   0.610
+ 9264TIP3    H234102  -3.981  -2.152   0.757
+ 9265TIP3   OH234103  -3.173  -1.204   0.025
+ 9265TIP3    H134104  -3.211  -1.214  -0.061
+ 9265TIP3    H234105  -3.202  -1.114   0.050
+ 9266TIP3   OH234106  -3.628  -1.385   0.694
+ 9266TIP3    H134107  -3.698  -1.320   0.716
+ 9266TIP3    H234108  -3.561  -1.329   0.650
+ 9267TIP3   OH234109  -2.832  -2.104   0.307
+ 9267TIP3    H134110  -2.864  -2.164   0.375
+ 9267TIP3    H234111  -2.768  -2.050   0.357
+ 9268TIP3   OH234112  -3.959  -1.965   0.475
+ 9268TIP3    H134113  -3.894  -1.909   0.522
+ 9268TIP3    H234114  -3.901  -2.002   0.405
+ 9269TIP3   OH234115  -3.829  -1.197   0.769
+ 9269TIP3    H134116  -3.827  -1.109   0.727
+ 9269TIP3    H234117  -3.918  -1.196   0.809
+ 9270TIP3   OH234118  -4.185  -1.237  -0.147
+ 9270TIP3    H134119  -4.268  -1.217  -0.195
+ 9270TIP3    H234120  -4.186  -1.171  -0.075
+ 9271TIP3   OH234121  -2.815  -2.198   0.683
+ 9271TIP3    H134122  -2.891  -2.156   0.639
+ 9271TIP3    H234123  -2.741  -2.174   0.624
+ 9272TIP3   OH234124  -3.506  -2.423   0.389
+ 9272TIP3    H134125  -3.527  -2.519   0.386
+ 9272TIP3    H234126  -3.588  -2.386   0.428
+ 9273TIP3   OH234127  -2.865  -1.087   0.029
+ 9273TIP3    H134128  -2.936  -1.139  -0.008
+ 9273TIP3    H234129  -2.879  -1.102   0.124
+ 9274TIP3   OH234130  -3.320  -1.481  -0.153
+ 9274TIP3    H134131  -3.369  -1.507  -0.231
+ 9274TIP3    H234132  -3.228  -1.501  -0.181
+ 9275TIP3   OH234133  -3.277  -1.708  -0.422
+ 9275TIP3    H134134  -3.203  -1.680  -0.365
+ 9275TIP3    H234135  -3.230  -1.769  -0.481
+ 9276TIP3   OH234136  -2.948  -1.534  -0.024
+ 9276TIP3    H134137  -3.009  -1.508   0.049
+ 9276TIP3    H234138  -2.880  -1.583   0.027
+ 9277TIP3   OH234139  -2.958  -1.680   0.863
+ 9277TIP3    H134140  -2.964  -1.610   0.930
+ 9277TIP3    H234141  -3.010  -1.641   0.791
+ 9278TIP3   OH234142  -3.791  -1.458   0.154
+ 9278TIP3    H134143  -3.810  -1.502   0.069
+ 9278TIP3    H234144  -3.719  -1.512   0.190
+ 9279TIP3   OH234145  -3.668  -1.130   0.439
+ 9279TIP3    H134146  -3.654  -1.132   0.343
+ 9279TIP3    H234147  -3.576  -1.137   0.471
+ 9280TIP3   OH234148  -3.729  -1.568   0.504
+ 9280TIP3    H134149  -3.670  -1.565   0.426
+ 9280TIP3    H234150  -3.688  -1.502   0.563
+ 9281TIP3   OH234151  -3.647  -1.144   0.993
+ 9281TIP3    H134152  -3.695  -1.069   1.033
+ 9281TIP3    H234153  -3.704  -1.165   0.916
+ 9282TIP3   OH234154  -3.065  -1.575  -0.273
+ 9282TIP3    H134155  -3.011  -1.556  -0.193
+ 9282TIP3    H234156  -3.009  -1.531  -0.342
+ 9283TIP3   OH234157  -3.957  -1.506   0.906
+ 9283TIP3    H134158  -3.946  -1.443   0.979
+ 9283TIP3    H234159  -4.053  -1.506   0.893
+ 9284TIP3   OH234160  -3.283  -0.916   0.082
+ 9284TIP3    H134161  -3.227  -0.893   0.158
+ 9284TIP3    H234162  -3.344  -0.841   0.079
+ 9285TIP3   OH234163  -3.836  -0.919   1.073
+ 9285TIP3    H134164  -3.838  -0.912   0.976
+ 9285TIP3    H234165  -3.927  -0.942   1.096
+ 9286TIP3   OH234166  -2.706  -2.408  -0.331
+ 9286TIP3    H134167  -2.790  -2.400  -0.282
+ 9286TIP3    H234168  -2.668  -2.319  -0.321
+ 9287TIP3   OH234169  -3.871  -1.571  -0.096
+ 9287TIP3    H134170  -3.905  -1.497  -0.148
+ 9287TIP3    H234171  -3.934  -1.641  -0.119
+ 9288TIP3   OH234172  -4.273  -1.296   0.762
+ 9288TIP3    H134173  -4.288  -1.328   0.671
+ 9288TIP3    H234174  -4.301  -1.374   0.813
+ 9289TIP3   OH234175  -4.285  -1.023   0.462
+ 9289TIP3    H134176  -4.195  -1.056   0.474
+ 9289TIP3    H234177  -4.296  -0.965   0.538
+ 9290TIP3   OH234178  -3.375  -1.040   0.938
+ 9290TIP3    H134179  -3.372  -0.950   0.972
+ 9290TIP3    H234180  -3.469  -1.064   0.951
+ 9291TIP3   OH234181  -3.359  -0.650  -0.082
+ 9291TIP3    H134182  -3.339  -0.632  -0.175
+ 9291TIP3    H234183  -3.343  -0.565  -0.038
+ 9292TIP3   OH234184  -3.979  -0.742   0.097
+ 9292TIP3    H134185  -3.945  -0.777   0.182
+ 9292TIP3    H234186  -4.059  -0.795   0.086
+ 9293TIP3   OH234187  -3.015  -0.713  -0.356
+ 9293TIP3    H134188  -2.970  -0.790  -0.395
+ 9293TIP3    H234189  -3.013  -0.736  -0.260
+ 9294TIP3   OH234190  -3.066  -0.759  -0.070
+ 9294TIP3    H134191  -3.159  -0.757  -0.043
+ 9294TIP3    H234192  -3.029  -0.810   0.004
+ 9295TIP3   OH234193  -2.798  -1.833   1.098
+ 9295TIP3    H134194  -2.817  -1.787   1.016
+ 9295TIP3    H234195  -2.770  -1.921   1.066
+ 9296TIP3   OH234196  -4.076  -1.154   0.917
+ 9296TIP3    H134197  -4.040  -1.217   0.981
+ 9296TIP3    H234198  -4.147  -1.204   0.872
+ 9297TIP3   OH234199  -3.749  -2.310   0.483
+ 9297TIP3    H134200  -3.831  -2.317   0.432
+ 9297TIP3    H234201  -3.770  -2.235   0.541
+ 9298TIP3   OH234202  -3.311  -2.351   0.849
+ 9298TIP3    H134203  -3.257  -2.404   0.911
+ 9298TIP3    H234204  -3.401  -2.387   0.860
+ 9299TIP3   OH234205  -2.999  -1.975   0.889
+ 9299TIP3    H134206  -3.048  -1.986   0.972
+ 9299TIP3    H234207  -2.994  -1.878   0.879
+ 9300TIP3   OH234208  -2.900  -1.479  -0.476
+ 9300TIP3    H134209  -2.914  -1.502  -0.569
+ 9300TIP3    H234210  -2.805  -1.458  -0.477
+ 9301TIP3   OH234211  -3.335  -2.095  -0.427
+ 9301TIP3    H134212  -3.377  -2.115  -0.342
+ 9301TIP3    H234213  -3.369  -2.167  -0.482
+ 9302TIP3   OH234214  -3.766  -1.829   0.620
+ 9302TIP3    H134215  -3.815  -1.814   0.702
+ 9302TIP3    H234216  -3.752  -1.738   0.587
+ 9303TIP3   OH234217  -3.773  -1.822   0.110
+ 9303TIP3    H134218  -3.868  -1.835   0.092
+ 9303TIP3    H234219  -3.735  -1.840   0.022
+ 9304TIP3   OH234220  -3.214  -1.758  -0.019
+ 9304TIP3    H134221  -3.254  -1.677  -0.052
+ 9304TIP3    H234222  -3.138  -1.770  -0.078
+ 9305TIP3   OH234223  -3.288  -1.743   1.130
+ 9305TIP3    H134224  -3.339  -1.821   1.159
+ 9305TIP3    H234225  -3.200  -1.762   1.166
+ 9306TIP3   OH234226  -3.127  -1.827   0.266
+ 9306TIP3    H134227  -3.149  -1.766   0.193
+ 9306TIP3    H234228  -3.099  -1.905   0.213
+ 9307TIP3   OH234229  -4.036  -1.811   0.811
+ 9307TIP3    H134230  -3.990  -1.777   0.888
+ 9307TIP3    H234231  -4.050  -1.904   0.835
+ 9308TIP3   OH234232  -3.690  -2.041  -0.529
+ 9308TIP3    H134233  -3.724  -2.088  -0.451
+ 9308TIP3    H234234  -3.765  -2.041  -0.589
+ 9309TIP3   OH234235  -4.327  -2.051   0.167
+ 9309TIP3    H134236  -4.308  -2.072   0.260
+ 9309TIP3    H234237  -4.280  -2.122   0.122
+ 9310TIP3   OH234238  -4.199  -2.018  -0.242
+ 9310TIP3    H134239  -4.146  -1.990  -0.320
+ 9310TIP3    H234240  -4.283  -1.974  -0.261
+ 9311TIP3   OH234241  -3.220  -1.662   0.712
+ 9311TIP3    H134242  -3.168  -1.727   0.662
+ 9311TIP3    H234243  -3.240  -1.711   0.793
+ 9312TIP3   OH234244  -3.492  -2.063   0.213
+ 9312TIP3    H134245  -3.585  -2.069   0.241
+ 9312TIP3    H234246  -3.445  -2.079   0.297
+ 9313TIP3   OH234247  -4.036  -1.934   0.072
+ 9313TIP3    H134248  -4.127  -1.932   0.040
+ 9313TIP3    H234249  -4.003  -2.019   0.038
+ 9314TIP3   OH234250  -3.672  -1.908  -0.151
+ 9314TIP3    H134251  -3.576  -1.903  -0.140
+ 9314TIP3    H234252  -3.693  -1.840  -0.217
+ 9315TIP3   OH234253  -3.052  -2.149   0.518
+ 9315TIP3    H134254  -3.117  -2.148   0.591
+ 9315TIP3    H234255  -3.108  -2.181   0.446
+ 9316TIP3   OH234256  -3.835  -1.772  -0.374
+ 9316TIP3    H134257  -3.882  -1.815  -0.447
+ 9316TIP3    H234258  -3.749  -1.754  -0.414
+ 9317TIP3   OH234259  -2.752  -0.555   1.165
+ 9317TIP3    H134260  -2.722  -0.521   1.080
+ 9317TIP3    H234261  -2.672  -0.547   1.219
+ 9318TIP3   OH234262  -3.956  -1.314   1.125
+ 9318TIP3    H134263  -3.889  -1.308   1.197
+ 9318TIP3    H234264  -4.037  -1.297   1.178
+ 9319TIP3   OH234265  -3.392  -1.810   0.393
+ 9319TIP3    H134266  -3.312  -1.843   0.351
+ 9319TIP3    H234267  -3.401  -1.869   0.471
+ 9320TIP3   OH234268  -3.873  -2.172   0.021
+ 9320TIP3    H134269  -3.914  -2.259   0.026
+ 9320TIP3    H234270  -3.790  -2.192  -0.025
+ 9321TIP3   OH234271  -3.495  -1.968   0.623
+ 9321TIP3    H134272  -3.567  -1.902   0.622
+ 9321TIP3    H234273  -3.442  -1.941   0.700
+ 9322TIP3   OH234274  -3.062  -2.042  -0.410
+ 9322TIP3    H134275  -3.160  -2.040  -0.414
+ 9322TIP3    H234276  -3.040  -1.968  -0.349
+ 9323TIP3   OH234277  -3.321  -1.332   0.939
+ 9323TIP3    H134278  -3.341  -1.350   1.031
+ 9323TIP3    H234279  -3.328  -1.235   0.934
+ 9324TIP3   OH234280  -2.996  -1.855  -0.208
+ 9324TIP3    H134281  -2.912  -1.876  -0.162
+ 9324TIP3    H234282  -2.975  -1.770  -0.251
+ 9325TIP3   OH234283  -3.979  -1.396   0.380
+ 9325TIP3    H134284  -3.909  -1.397   0.312
+ 9325TIP3    H234285  -3.956  -1.474   0.433
+ 9326TIP3   OH234286  -3.267  -1.202  -0.305
+ 9326TIP3    H134287  -3.281  -1.111  -0.269
+ 9326TIP3    H234288  -3.301  -1.258  -0.234
+ 9327TIP3   OH234289  -4.245  -1.539   0.949
+ 9327TIP3    H134290  -4.228  -1.606   1.017
+ 9327TIP3    H234291  -4.289  -1.592   0.878
+ 9328TIP3   OH234292  -3.542  -1.610   1.118
+ 9328TIP3    H134293  -3.571  -1.629   1.027
+ 9328TIP3    H234294  -3.448  -1.635   1.111
+ 9329TIP3   OH234295  -3.072  -1.090   0.922
+ 9329TIP3    H134296  -3.145  -1.057   0.869
+ 9329TIP3    H234297  -3.066  -1.027   0.994
+ 9330TIP3   OH234298  -2.559  -1.842  -0.214
+ 9330TIP3    H134299  -2.597  -1.868  -0.299
+ 9330TIP3    H234300  -2.543  -1.747  -0.231
+ 9331TIP3   OH234301  -2.720  -1.009  -0.265
+ 9331TIP3    H134302  -2.738  -1.043  -0.175
+ 9331TIP3    H234303  -2.626  -1.027  -0.275
+ 9332TIP3   OH234304  -2.981  -1.474   0.554
+ 9332TIP3    H134305  -3.068  -1.481   0.511
+ 9332TIP3    H234306  -2.924  -1.527   0.496
+ 9333TIP3   OH234307  -3.728  -1.057   0.117
+ 9333TIP3    H134308  -3.679  -0.974   0.118
+ 9333TIP3    H234309  -3.817  -1.027   0.097
+ 9334TIP3   OH234310  -4.154  -1.562  -0.408
+ 9334TIP3    H134311  -4.086  -1.503  -0.370
+ 9334TIP3    H234312  -4.235  -1.513  -0.389
+ 9335TIP3   OH234313  -3.555  -1.288   0.028
+ 9335TIP3    H134314  -3.562  -1.198   0.065
+ 9335TIP3    H234315  -3.598  -1.339   0.098
+ 9336TIP3   OH234316  -3.527  -0.858   0.730
+ 9336TIP3    H134317  -3.496  -0.804   0.656
+ 9336TIP3    H234318  -3.448  -0.908   0.753
+ 9337TIP3   OH234319  -3.685  -0.768   0.016
+ 9337TIP3    H134320  -3.774  -0.749   0.048
+ 9337TIP3    H234321  -3.631  -0.717   0.079
+ 9338TIP3   OH234322  -3.184  -1.285   0.662
+ 9338TIP3    H134323  -3.191  -1.283   0.758
+ 9338TIP3    H234324  -3.096  -1.322   0.648
+ 9339TIP3   OH234325  -2.970  -1.160  -0.426
+ 9339TIP3    H134326  -2.923  -1.199  -0.350
+ 9339TIP3    H234327  -3.061  -1.182  -0.402
+ 9340TIP3   OH234328  -4.101  -2.084   0.884
+ 9340TIP3    H134329  -4.188  -2.045   0.864
+ 9340TIP3    H234330  -4.122  -2.170   0.926
+ 9341TIP3   OH234331  -2.861  -1.295  -0.198
+ 9341TIP3    H134332  -2.887  -1.360  -0.131
+ 9341TIP3    H234333  -2.768  -1.280  -0.175
+ 9342TIP3   OH234334  -4.134  -0.913   0.728
+ 9342TIP3    H134335  -4.105  -1.005   0.732
+ 9342TIP3    H234336  -4.090  -0.877   0.807
+ 9343TIP3   OH234337  -3.558  -1.053  -0.563
+ 9343TIP3    H134338  -3.518  -1.125  -0.615
+ 9343TIP3    H234339  -3.558  -1.089  -0.474
+ 9344TIP3   OH234340  -3.978  -1.348  -0.273
+ 9344TIP3    H134341  -4.054  -1.321  -0.216
+ 9344TIP3    H234342  -3.945  -1.258  -0.296
+ 9345TIP3   OH234343  -3.213  -2.108   0.736
+ 9345TIP3    H134344  -3.147  -2.079   0.801
+ 9345TIP3    H234345  -3.257  -2.182   0.781
+ 9346TIP3   OH234346  -3.149  -2.160  -0.139
+ 9346TIP3    H134347  -3.123  -2.110  -0.218
+ 9346TIP3    H234348  -3.099  -2.115  -0.069
+ 9347TIP3   OH234349  -3.371  -0.949  -0.260
+ 9347TIP3    H134350  -3.438  -0.897  -0.213
+ 9347TIP3    H234351  -3.315  -0.878  -0.296
+ 9348TIP3   OH234352  -3.408  -1.960  -0.044
+ 9348TIP3    H134353  -3.329  -1.904  -0.031
+ 9348TIP3    H234354  -3.432  -1.982   0.049
+ 9349TIP3   OH234355  -3.375  -1.879   0.876
+ 9349TIP3    H134356  -3.362  -1.822   0.953
+ 9349TIP3    H234357  -3.313  -1.951   0.892
+ 9350TIP3   OH234358  -3.348  -2.263   0.048
+ 9350TIP3    H134359  -3.364  -2.197   0.118
+ 9350TIP3    H234360  -3.272  -2.223   0.001
+ 9351TIP3   OH234361  -3.669  -0.855  -0.259
+ 9351TIP3    H134362  -3.657  -0.770  -0.305
+ 9351TIP3    H234363  -3.669  -0.826  -0.165
+ 9352TIP3   OH234364  -3.774  -2.163  -0.292
+ 9352TIP3    H134365  -3.764  -2.082  -0.237
+ 9352TIP3    H234366  -3.692  -2.212  -0.267
+ 9353TIP3   OH234367  -2.745  -2.072   0.965
+ 9353TIP3    H134368  -2.838  -2.064   0.936
+ 9353TIP3    H234369  -2.702  -2.087   0.878
+ 9354TIP3   OH234370  -2.886  -1.691   0.363
+ 9354TIP3    H134371  -2.968  -1.738   0.340
+ 9354TIP3    H234372  -2.833  -1.761   0.409
+ 9355TIP3   OH234373  -3.905  -1.084  -0.369
+ 9355TIP3    H134374  -3.853  -1.005  -0.343
+ 9355TIP3    H234375  -3.862  -1.108  -0.451
+ 9356TIP3   OH234376  -4.114  -1.859  -0.474
+ 9356TIP3    H134377  -4.112  -1.765  -0.451
+ 9356TIP3    H234378  -4.196  -1.870  -0.522
+ 9357TIP3   OH234379  -4.030  -2.359   0.398
+ 9357TIP3    H134380  -4.058  -2.364   0.305
+ 9357TIP3    H234381  -4.068  -2.442   0.435
+ 9358TIP3   OH234382  -4.141  -1.004   0.022
+ 9358TIP3    H134383  -4.227  -0.959   0.030
+ 9358TIP3    H234384  -4.099  -0.954  -0.049
+ 9359TIP3   OH234385  -4.215  -0.719   1.148
+ 9359TIP3    H134386  -4.151  -0.720   1.222
+ 9359TIP3    H234387  -4.214  -0.814   1.130
+ 9360TIP3   OH234388  -3.722  -0.806   1.325
+ 9360TIP3    H134389  -3.655  -0.875   1.339
+ 9360TIP3    H234390  -3.749  -0.827   1.234
+ 9361TIP3   OH234391  -3.309  -0.883  -0.550
+ 9361TIP3    H134392  -3.390  -0.934  -0.533
+ 9361TIP3    H234393  -3.248  -0.956  -0.569
+ 9362TIP3   OH234394  -3.073  -0.957   1.214
+ 9362TIP3    H134395  -3.108  -1.048   1.217
+ 9362TIP3    H234396  -2.982  -0.971   1.242
+ 9363TIP3   OH234397  -2.877  -0.910  -0.566
+ 9363TIP3    H134398  -2.864  -0.964  -0.487
+ 9363TIP3    H234399  -2.790  -0.867  -0.578
+ 9364TIP3   OH234400  -4.203  -1.316   1.217
+ 9364TIP3    H134401  -4.185  -1.401   1.174
+ 9364TIP3    H234402  -4.283  -1.286   1.171
+ 9365TIP3   OH234403  -3.738  -1.327  -0.493
+ 9365TIP3    H134404  -3.792  -1.406  -0.510
+ 9365TIP3    H234405  -3.690  -1.316  -0.578
+ 9366TIP3   OH234406  -3.542  -1.331   1.191
+ 9366TIP3    H134407  -3.564  -1.294   1.104
+ 9366TIP3    H234408  -3.530  -1.426   1.172
+ 9367TIP3   OH234409  -3.265  -1.170  -0.585
+ 9367TIP3    H134410  -3.254  -1.176  -0.489
+ 9367TIP3    H234411  -3.253  -1.265  -0.609
+ 9368TIP3   OH234412  -4.136  -1.647   1.187
+ 9368TIP3    H134413  -4.055  -1.699   1.173
+ 9368TIP3    H234414  -4.121  -1.614   1.276
+ 9369TIP3   OH234415  -3.755  -1.724   0.909
+ 9369TIP3    H134416  -3.803  -1.642   0.932
+ 9369TIP3    H234417  -3.682  -1.689   0.855
+ 9370TIP3   OH234418  -3.563  -1.639  -0.461
+ 9370TIP3    H134419  -3.582  -1.660  -0.554
+ 9370TIP3    H234420  -3.473  -1.674  -0.452
+ 9371TIP3   OH234421  -3.214  -1.450   1.276
+ 9371TIP3    H134422  -3.129  -1.466   1.234
+ 9371TIP3    H234423  -3.240  -1.538   1.306
+ 9372TIP3   OH234424  -2.638  -1.443  -0.557
+ 9372TIP3    H134425  -2.638  -1.482  -0.646
+ 9372TIP3    H234426  -2.599  -1.357  -0.574
+ 9373TIP3   OH234427  -3.695  -1.995   1.031
+ 9373TIP3    H134428  -3.682  -2.060   0.959
+ 9373TIP3    H234429  -3.709  -1.913   0.980
+ 9374TIP3   OH234430  -3.657  -2.146   0.776
+ 9374TIP3    H134431  -3.602  -2.094   0.713
+ 9374TIP3    H234432  -3.747  -2.142   0.736
+ 9375TIP3   OH234433  -3.504  -1.604   0.815
+ 9375TIP3    H134434  -3.417  -1.612   0.771
+ 9375TIP3    H234435  -3.531  -1.515   0.784
+ 9376TIP3   OH234436  -3.040  -1.804   1.299
+ 9376TIP3    H134437  -3.022  -1.899   1.296
+ 9376TIP3    H234438  -2.951  -1.770   1.284
+ 9377TIP3   OH234439  -2.918  -1.494   1.107
+ 9377TIP3    H134440  -2.937  -1.422   1.045
+ 9377TIP3    H234441  -2.827  -1.517   1.083
+ 9378TIP3   OH234442  -3.883  -1.803   1.205
+ 9378TIP3    H134443  -3.930  -1.888   1.206
+ 9378TIP3    H234444  -3.798  -1.827   1.164
+ 9379TIP3   OH234445  -3.587  -2.414   0.812
+ 9379TIP3    H134446  -3.602  -2.319   0.794
+ 9379TIP3    H234447  -3.656  -2.455   0.756
+ 9380TIP3   OH234448  -3.459  -1.956   1.190
+ 9380TIP3    H134449  -3.494  -1.979   1.278
+ 9380TIP3    H234450  -3.538  -1.976   1.135
+ 9381TIP3   OH234451  -3.204  -2.050   1.079
+ 9381TIP3    H134452  -3.293  -2.050   1.118
+ 9381TIP3    H234453  -3.157  -2.115   1.133
+ 9382TIP3   OH234454  -3.026  -2.203   1.247
+ 9382TIP3    H134455  -3.035  -2.299   1.264
+ 9382TIP3    H234456  -3.037  -2.164   1.336
+ 9383TIP3   OH234457  -4.019  -2.059   1.191
+ 9383TIP3    H134458  -4.014  -2.132   1.128
+ 9383TIP3    H234459  -4.032  -2.106   1.276
+ 9384TIP3   OH234460  -3.601  -2.464   1.091
+ 9384TIP3    H134461  -3.541  -2.541   1.097
+ 9384TIP3    H234462  -3.603  -2.450   0.994
+ 9385TIP3   OH234463  -3.508  -2.280   1.279
+ 9385TIP3    H134464  -3.533  -2.339   1.205
+ 9385TIP3    H234465  -3.576  -2.212   1.276
+ 9386TIP3   OH234466  -3.601  -0.585  -0.377
+ 9386TIP3    H134467  -3.509  -0.568  -0.352
+ 9386TIP3    H234468  -3.609  -0.529  -0.455
+ 9387TIP3   OH234469  -4.199  -1.094  -0.451
+ 9387TIP3    H134470  -4.121  -1.100  -0.393
+ 9387TIP3    H234471  -4.211  -1.184  -0.484
+ 9388TIP3   OH234472  -4.274  -0.809   0.244
+ 9388TIP3    H134473  -4.276  -0.896   0.287
+ 9388TIP3    H234474  -4.240  -0.755   0.317
+ 9389TIP3   OH234475  -2.549  -1.304  -0.160
+ 9389TIP3    H134476  -2.470  -1.257  -0.129
+ 9389TIP3    H234477  -2.567  -1.361  -0.084
+ 9390TIP3   OH234478  -2.516  -1.523   0.048
+ 9390TIP3    H134479  -2.591  -1.572   0.086
+ 9390TIP3    H234480  -2.460  -1.507   0.127
+ 9391TIP3   OH234481  -2.514  -1.559  -0.306
+ 9391TIP3    H134482  -2.559  -1.525  -0.386
+ 9391TIP3    H234483  -2.517  -1.480  -0.249
+ 9392TIP3   OH234484  -2.709  -1.803  -0.486
+ 9392TIP3    H134485  -2.657  -1.752  -0.549
+ 9392TIP3    H234486  -2.712  -1.891  -0.526
+ 9393TIP3   OH234487  -2.755  -1.696   0.117
+ 9393TIP3    H134488  -2.751  -1.793   0.109
+ 9393TIP3    H234489  -2.783  -1.684   0.210
+ 9394TIP3   OH234490  -4.255  -1.451   0.518
+ 9394TIP3    H134491  -4.220  -1.426   0.431
+ 9394TIP3    H234492  -4.175  -1.490   0.558
+ 9395TIP3   OH234493  -2.578  -1.665   1.145
+ 9395TIP3    H134494  -2.616  -1.743   1.103
+ 9395TIP3    H234495  -2.483  -1.671   1.121
+ 9396TIP3   OH234496  -2.740  -2.078  -0.556
+ 9396TIP3    H134497  -2.675  -2.124  -0.498
+ 9396TIP3    H234498  -2.817  -2.136  -0.555
+ 9397TIP3   OH234499  -2.771  -1.955  -0.052
+ 9397TIP3    H134500  -2.738  -2.047  -0.050
+ 9397TIP3    H234501  -2.693  -1.909  -0.090
+ 9398TIP3   OH234502  -2.713  -1.875   0.478
+ 9398TIP3    H134503  -2.618  -1.855   0.466
+ 9398TIP3    H234504  -2.720  -1.871   0.575
+ 9399TIP3   OH234505  -2.707  -1.789   0.760
+ 9399TIP3    H134506  -2.795  -1.755   0.784
+ 9399TIP3    H234507  -2.657  -1.708   0.744
+ 9400TIP3   OH234508  -4.286  -1.955   1.126
+ 9400TIP3    H134509  -4.195  -1.990   1.127
+ 9400TIP3    H234510  -4.340  -2.033   1.145
+ 9401TIP3   OH234511  -2.466  -2.405   1.293
+ 9401TIP3    H134512  -2.423  -2.472   1.236
+ 9401TIP3    H234513  -2.461  -2.326   1.235
+ 9402TIP3   OH234514  -2.712  -2.229  -0.065
+ 9402TIP3    H134515  -2.691  -2.263   0.025
+ 9402TIP3    H234516  -2.791  -2.280  -0.088
+ 9403TIP3   OH234517  -4.195  -2.099   0.438
+ 9403TIP3    H134518  -4.160  -2.190   0.440
+ 9403TIP3    H234519  -4.115  -2.047   0.458
+ 9404TIP3   OH234520  -4.334  -1.838   0.527
+ 9404TIP3    H134521  -4.288  -1.892   0.461
+ 9404TIP3    H234522  -4.305  -1.750   0.501
+ 9405TIP3   OH234523  -2.527  -2.198   1.121
+ 9405TIP3    H134524  -2.614  -2.155   1.117
+ 9405TIP3    H234525  -2.531  -2.251   1.039
+ 9406TIP3   OH234526  -2.520  -2.173  -0.406
+ 9406TIP3    H134527  -2.479  -2.254  -0.440
+ 9406TIP3    H234528  -2.442  -2.120  -0.378
+ 9407TIP3   OH234529  -4.316  -2.226  -0.118
+ 9407TIP3    H134530  -4.398  -2.202  -0.164
+ 9407TIP3    H234531  -4.254  -2.160  -0.156
+ 9408TIP3   OH234532  -4.291  -2.326   0.715
+ 9408TIP3    H134533  -4.359  -2.338   0.786
+ 9408TIP3    H234534  -4.339  -2.284   0.642
+ 9409TIP3   OH234535  -4.120  -0.975   1.184
+ 9409TIP3    H134536  -4.164  -1.039   1.127
+ 9409TIP3    H234537  -4.137  -1.012   1.273
+ 9410TIP3   OH234538  -3.802  -0.907   0.774
+ 9410TIP3    H134539  -3.829  -0.824   0.732
+ 9410TIP3    H234540  -3.706  -0.902   0.753
+ 9411TIP3   OH234541  -3.361  -0.770   1.080
+ 9411TIP3    H134542  -3.331  -0.803   1.166
+ 9411TIP3    H234543  -3.276  -0.739   1.041
+ 9412TIP3   OH234544  -3.119  -0.674   0.996
+ 9412TIP3    H134545  -3.047  -0.730   0.964
+ 9412TIP3    H234546  -3.076  -0.623   1.066
+ 9413TIP3   OH234547  -2.643  -2.378   0.919
+ 9413TIP3    H134548  -2.719  -2.354   0.864
+ 9413TIP3    H234549  -2.618  -2.466   0.884
+ 9414TIP3   OH234550  -4.073  -0.606   0.799
+ 9414TIP3    H134551  -4.139  -0.555   0.748
+ 9414TIP3    H234552  -4.106  -0.598   0.888
+ 9415TIP3   OH234553  -3.821  -0.637   0.666
+ 9415TIP3    H134554  -3.907  -0.612   0.704
+ 9415TIP3    H234555  -3.818  -0.588   0.583
+ 9416TIP3   OH234556  -3.278  -0.608   0.608
+ 9416TIP3    H134557  -3.345  -0.639   0.545
+ 9416TIP3    H234558  -3.326  -0.587   0.687
+ 9417TIP3   OH234559  -4.119  -0.738   0.490
+ 9417TIP3    H134560  -4.127  -0.779   0.578
+ 9417TIP3    H234561  -4.037  -0.778   0.457
+ 9418TIP3   OH234562  -3.890  -0.851   0.357
+ 9418TIP3    H134563  -3.896  -0.944   0.385
+ 9418TIP3    H234564  -3.797  -0.829   0.378
+ 9419TIP3   OH234565  -3.299  -2.227   0.360
+ 9419TIP3    H134566  -3.366  -2.296   0.374
+ 9419TIP3    H234567  -3.234  -2.273   0.305
+ 9420TIP3   OH234568  -2.802  -2.424   0.408
+ 9420TIP3    H134569  -2.724  -2.381   0.369
+ 9420TIP3    H234570  -2.874  -2.392   0.352
+ 9421TIP3   OH234571  -2.597  -2.315   0.190
+ 9421TIP3    H134572  -2.521  -2.359   0.147
+ 9421TIP3    H234573  -2.560  -2.225   0.203
+ 9422TIP3   OH234574  -4.108  -2.369   0.116
+ 9422TIP3    H134575  -4.180  -2.399   0.059
+ 9422TIP3    H234576  -4.045  -2.443   0.106
+ 9423TIP3   OH234577  -4.182  -2.408  -0.303
+ 9423TIP3    H134578  -4.130  -2.342  -0.353
+ 9423TIP3    H234579  -4.233  -2.351  -0.243
+ 9424TIP3   OH234580  -3.618  -2.372   0.108
+ 9424TIP3    H134581  -3.527  -2.341   0.089
+ 9424TIP3    H234582  -3.613  -2.383   0.204
+ 9425TIP3   OH234583  -3.061  -2.367   0.244
+ 9425TIP3    H134584  -3.026  -2.384   0.155
+ 9425TIP3    H234585  -3.092  -2.455   0.270
+ 9426TIP3   OH234586  -2.946  -2.369  -0.151
+ 9426TIP3    H134587  -3.028  -2.320  -0.170
+ 9426TIP3    H234588  -2.979  -2.460  -0.141
+ 9427TIP3   OH234589  -4.192  -0.807  -0.199
+ 9427TIP3    H134590  -4.253  -0.819  -0.272
+ 9427TIP3    H234591  -4.179  -0.711  -0.199
+ 9428TIP3   OH234592  -4.006  -2.220  -0.449
+ 9428TIP3    H134593  -3.948  -2.279  -0.501
+ 9428TIP3    H234594  -3.944  -2.191  -0.379
+ 9429TIP3   OH234595  -3.501  -2.204  -0.188
+ 9429TIP3    H134596  -3.463  -2.264  -0.121
+ 9429TIP3    H234597  -3.477  -2.118  -0.149
+ 9430TIP3   OH234598  -3.289  -0.632  -0.368
+ 9430TIP3    H134599  -3.192  -0.628  -0.371
+ 9430TIP3    H234600  -3.307  -0.695  -0.440
+ 9431TIP3   OH234601  -2.648  -0.727  -0.063
+ 9431TIP3    H134602  -2.648  -0.804  -0.120
+ 9431TIP3    H234603  -2.606  -0.658  -0.115
+ 9432TIP3   OH234604  -4.080  -2.329   1.069
+ 9432TIP3    H134605  -4.124  -2.406   1.109
+ 9432TIP3    H234606  -3.988  -2.345   1.096
+ 9433TIP3   OH234607  -3.844  -2.392   1.245
+ 9433TIP3    H134608  -3.762  -2.427   1.204
+ 9433TIP3    H234609  -3.877  -2.472   1.289
+ 9434TIP3   OH234610  -4.016  -0.713  -0.500
+ 9434TIP3    H134611  -4.040  -0.688  -0.410
+ 9434TIP3    H234612  -3.935  -0.765  -0.486
+ 9435TIP3   OH234613  -3.030  -2.482   1.263
+ 9435TIP3    H134614  -3.025  -2.524   1.350
+ 9435TIP3    H234615  -2.937  -2.486   1.234
+ 9436TIP3   OH234616  -2.349  -1.776   0.028
+ 9436TIP3    H134617  -2.398  -1.692   0.028
+ 9436TIP3    H234618  -2.412  -1.836  -0.012
+ 9437TIP3   OH234619  -2.306  -1.532   0.233
+ 9437TIP3    H134620  -2.294  -1.598   0.303
+ 9437TIP3    H234621  -2.224  -1.537   0.183
+ 9438TIP3   OH234622  -0.661  -2.148   0.573
+ 9438TIP3    H134623  -0.666  -2.080   0.641
+ 9438TIP3    H234624  -0.622  -2.100   0.498
+ 9439TIP3   OH234625  -1.166  -2.035   0.129
+ 9439TIP3    H134626  -1.101  -2.091   0.175
+ 9439TIP3    H234627  -1.124  -2.021   0.044
+ 9440TIP3   OH234628  -2.288  -1.817   0.341
+ 9440TIP3    H134629  -2.214  -1.803   0.401
+ 9440TIP3    H234630  -2.252  -1.822   0.252
+ 9441TIP3   OH234631  -0.642  -2.007   0.832
+ 9441TIP3    H134632  -0.684  -1.924   0.805
+ 9441TIP3    H234633  -0.625  -1.989   0.926
+ 9442TIP3   OH234634  -2.045  -2.143   0.660
+ 9442TIP3    H134635  -2.054  -2.064   0.607
+ 9442TIP3    H234636  -2.092  -2.119   0.741
+ 9443TIP3   OH234637  -0.924  -2.114   0.311
+ 9443TIP3    H134638  -0.995  -2.148   0.367
+ 9443TIP3    H234639  -0.890  -2.040   0.364
+ 9444TIP3   OH234640  -0.939  -2.192   0.682
+ 9444TIP3    H134641  -1.017  -2.155   0.636
+ 9444TIP3    H234642  -0.868  -2.175   0.617
+ 9445TIP3   OH234643  -1.616  -2.422   0.382
+ 9445TIP3    H134644  -1.642  -2.515   0.373
+ 9445TIP3    H234645  -1.700  -2.380   0.409
+ 9446TIP3   OH234646  -1.870  -2.306   0.481
+ 9446TIP3    H134647  -1.953  -2.313   0.432
+ 9446TIP3    H234648  -1.888  -2.230   0.539
+ 9447TIP3   OH234649  -1.437  -2.377   0.851
+ 9447TIP3    H134650  -1.392  -2.424   0.923
+ 9447TIP3    H234651  -1.531  -2.394   0.865
+ 9448TIP3   OH234652  -1.250  -1.802   0.258
+ 9448TIP3    H134653  -1.282  -1.766   0.175
+ 9448TIP3    H234654  -1.252  -1.898   0.240
+ 9449TIP3   OH234655  -2.451  -2.082   0.166
+ 9449TIP3    H134656  -2.396  -2.057   0.242
+ 9449TIP3    H234657  -2.385  -2.109   0.101
+ 9450TIP3   OH234658  -2.329  -1.982  -0.278
+ 9450TIP3    H134659  -2.263  -1.922  -0.315
+ 9450TIP3    H234660  -2.392  -1.920  -0.237
+ 9451TIP3   OH234661  -1.161  -2.145   0.494
+ 9451TIP3    H134662  -1.218  -2.128   0.571
+ 9451TIP3    H234663  -1.230  -2.158   0.426
+ 9452TIP3   OH234664  -1.209  -1.068   0.948
+ 9452TIP3    H134665  -1.273  -1.031   0.885
+ 9452TIP3    H234666  -1.235  -1.034   1.033
+ 9453TIP3   OH234667  -1.115  -1.480   0.499
+ 9453TIP3    H134668  -1.184  -1.541   0.526
+ 9453TIP3    H234669  -1.044  -1.538   0.468
+ 9454TIP3   OH234670  -2.237  -1.573  -0.432
+ 9454TIP3    H134671  -2.178  -1.516  -0.380
+ 9454TIP3    H234672  -2.321  -1.560  -0.385
+ 9455TIP3   OH234673  -1.225  -1.274   0.683
+ 9455TIP3    H134674  -1.306  -1.301   0.725
+ 9455TIP3    H234675  -1.179  -1.354   0.658
+ 9456TIP3   OH234676  -2.216  -2.077   0.918
+ 9456TIP3    H134677  -2.277  -2.033   0.857
+ 9456TIP3    H234678  -2.238  -2.171   0.911
+ 9457TIP3   OH234679  -2.109  -1.356  -0.269
+ 9457TIP3    H134680  -2.160  -1.316  -0.198
+ 9457TIP3    H234681  -2.039  -1.290  -0.282
+ 9458TIP3   OH234682  -1.289  -2.152   0.758
+ 9458TIP3    H134683  -1.280  -2.108   0.844
+ 9458TIP3    H234684  -1.354  -2.221   0.781
+ 9459TIP3   OH234685  -0.895  -2.071   0.972
+ 9459TIP3    H134686  -0.984  -2.047   0.947
+ 9459TIP3    H234687  -0.851  -2.076   0.885
+ 9460TIP3   OH234688  -1.004  -1.697   0.324
+ 9460TIP3    H134689  -1.091  -1.743   0.322
+ 9460TIP3    H234690  -0.947  -1.758   0.371
+ 9461TIP3   OH234691  -2.143  -2.352   0.398
+ 9461TIP3    H134692  -2.160  -2.351   0.300
+ 9461TIP3    H234693  -2.179  -2.438   0.423
+ 9462TIP3   OH234694  -1.891  -1.331  -0.544
+ 9462TIP3    H134695  -1.872  -1.380  -0.464
+ 9462TIP3    H234696  -1.803  -1.302  -0.572
+ 9463TIP3   OH234697  -1.033  -1.342   0.936
+ 9463TIP3    H134698  -0.982  -1.270   0.897
+ 9463TIP3    H234699  -1.122  -1.308   0.919
+ 9464TIP3   OH234700  -2.296  -1.609   1.173
+ 9464TIP3    H134701  -2.228  -1.647   1.115
+ 9464TIP3    H234702  -2.252  -1.592   1.257
+ 9465TIP3   OH234703  -1.756  -2.132   0.759
+ 9465TIP3    H134704  -1.707  -2.057   0.722
+ 9465TIP3    H234705  -1.846  -2.098   0.760
+ 9466TIP3   OH234706  -1.718  -2.395   0.820
+ 9466TIP3    H134707  -1.720  -2.299   0.797
+ 9466TIP3    H234708  -1.779  -2.430   0.753
+ 9467TIP3   OH234709  -1.562  -1.987   1.167
+ 9467TIP3    H134710  -1.594  -1.958   1.253
+ 9467TIP3    H234711  -1.633  -1.955   1.109
+ 9468TIP3   OH234712  -1.305  -2.055   1.046
+ 9468TIP3    H134713  -1.389  -2.026   1.088
+ 9468TIP3    H234714  -1.255  -2.090   1.121
+ 9469TIP3   OH234715  -1.121  -2.196   1.253
+ 9469TIP3    H134716  -1.147  -2.288   1.270
+ 9469TIP3    H234717  -1.146  -2.149   1.334
+ 9470TIP3   OH234718  -2.067  -2.083   1.199
+ 9470TIP3    H134719  -2.104  -2.085   1.109
+ 9470TIP3    H234720  -2.145  -2.066   1.253
+ 9471TIP3   OH234721  -1.710  -2.469   1.094
+ 9471TIP3    H134722  -1.646  -2.541   1.081
+ 9471TIP3    H234723  -1.724  -2.441   1.001
+ 9472TIP3   OH234724  -1.633  -2.315   1.322
+ 9472TIP3    H134725  -1.648  -2.349   1.231
+ 9472TIP3    H234726  -1.682  -2.231   1.315
+ 9473TIP3   OH234727  -0.664  -1.683   1.147
+ 9473TIP3    H134728  -0.735  -1.736   1.112
+ 9473TIP3    H234729  -0.586  -1.727   1.111
+ 9474TIP3   OH234730  -0.817  -1.885   0.488
+ 9474TIP3    H134731  -0.736  -1.834   0.474
+ 9474TIP3    H234732  -0.843  -1.856   0.577
+ 9475TIP3   OH234733  -0.839  -1.779   0.762
+ 9475TIP3    H134734  -0.926  -1.746   0.788
+ 9475TIP3    H234735  -0.793  -1.695   0.745
+ 9476TIP3   OH234736  -2.379  -1.947   1.169
+ 9476TIP3    H134737  -2.308  -1.940   1.103
+ 9476TIP3    H234738  -2.425  -2.029   1.142
+ 9477TIP3   OH234739  -0.580  -2.400   1.289
+ 9477TIP3    H134740  -0.541  -2.466   1.229
+ 9477TIP3    H234741  -0.584  -2.321   1.232
+ 9478TIP3   OH234742  -2.298  -2.111   0.430
+ 9478TIP3    H134743  -2.239  -2.188   0.431
+ 9478TIP3    H234744  -2.239  -2.037   0.449
+ 9479TIP3   OH234745  -0.661  -2.197   1.120
+ 9479TIP3    H134746  -0.744  -2.145   1.119
+ 9479TIP3    H234747  -0.673  -2.246   1.036
+ 9480TIP3   OH234748  -2.397  -2.228  -0.102
+ 9480TIP3    H134749  -2.489  -2.200  -0.107
+ 9480TIP3    H234750  -2.348  -2.155  -0.143
+ 9481TIP3   OH234751  -2.399  -2.326   0.737
+ 9481TIP3    H134752  -2.471  -2.343   0.799
+ 9481TIP3    H234753  -2.441  -2.269   0.671
+ 9482TIP3   OH234754  -0.759  -2.370   0.918
+ 9482TIP3    H134755  -0.836  -2.342   0.865
+ 9482TIP3    H234756  -0.739  -2.457   0.880
+ 9483TIP3   OH234757  -1.403  -2.227   0.347
+ 9483TIP3    H134758  -1.482  -2.283   0.347
+ 9483TIP3    H234759  -1.356  -2.255   0.268
+ 9484TIP3   OH234760  -0.905  -2.430   0.388
+ 9484TIP3    H134761  -0.838  -2.376   0.342
+ 9484TIP3    H234762  -0.988  -2.394   0.350
+ 9485TIP3   OH234763  -0.708  -2.318   0.192
+ 9485TIP3    H134764  -0.648  -2.350   0.123
+ 9485TIP3    H234765  -0.704  -2.222   0.186
+ 9486TIP3   OH234766  -2.177  -2.347   0.129
+ 9486TIP3    H134767  -2.247  -2.348   0.062
+ 9486TIP3    H234768  -2.111  -2.406   0.090
+ 9487TIP3   OH234769  -1.144  -2.388   0.242
+ 9487TIP3    H134770  -1.160  -2.375   0.146
+ 9487TIP3    H234771  -1.215  -2.450   0.265
+ 9488TIP3   OH234772  -2.207  -2.337   1.063
+ 9488TIP3    H134773  -2.231  -2.417   1.111
+ 9488TIP3    H234774  -2.118  -2.317   1.096
+ 9489TIP3   OH234775  -1.951  -2.395   1.257
+ 9489TIP3    H134776  -1.876  -2.426   1.202
+ 9489TIP3    H234777  -2.002  -2.476   1.272
+ 9490TIP3   OH234778  -1.144  -2.478   1.263
+ 9490TIP3    H134779  -1.140  -2.517   1.352
+ 9490TIP3    H234780  -1.050  -2.477   1.236
+ 9491TIP3   OH234781   1.215  -2.110   0.589
+ 9491TIP3    H134782   1.211  -2.030   0.644
+ 9491TIP3    H234783   1.274  -2.082   0.516
+ 9492TIP3   OH234784   0.755  -2.079   0.062
+ 9492TIP3    H134785   0.798  -2.082   0.148
+ 9492TIP3    H234786   0.785  -1.993   0.028
+ 9493TIP3   OH234787  -0.408  -1.803   0.337
+ 9493TIP3    H134788  -0.329  -1.812   0.389
+ 9493TIP3    H234789  -0.379  -1.806   0.246
+ 9494TIP3   OH234790   0.137  -1.661   0.320
+ 9494TIP3    H134791   0.233  -1.664   0.336
+ 9494TIP3    H234792   0.129  -1.683   0.227
+ 9495TIP3   OH234793  -0.112  -2.164   0.682
+ 9495TIP3    H134794  -0.143  -2.095   0.622
+ 9495TIP3    H234795  -0.175  -2.155   0.756
+ 9496TIP3   OH234796   0.947  -2.127   0.319
+ 9496TIP3    H134797   0.899  -2.161   0.395
+ 9496TIP3    H234798   0.981  -2.042   0.353
+ 9497TIP3   OH234799  -0.136  -1.956   0.473
+ 9497TIP3    H134800  -0.089  -1.875   0.498
+ 9497TIP3    H234801  -0.093  -1.980   0.391
+ 9498TIP3   OH234802   0.964  -2.219   0.668
+ 9498TIP3    H134803   0.896  -2.158   0.700
+ 9498TIP3    H234804   1.033  -2.158   0.634
+ 9499TIP3   OH234805   0.272  -2.428   0.385
+ 9499TIP3    H134806   0.242  -2.520   0.387
+ 9499TIP3    H234807   0.192  -2.379   0.411
+ 9500TIP3   OH234808   0.539  -1.786  -0.387
+ 9500TIP3    H134809   0.555  -1.696  -0.357
+ 9500TIP3    H234810   0.515  -1.773  -0.479
+ 9501TIP3   OH234811   0.113  -1.136   1.013
+ 9501TIP3    H134812   0.092  -1.045   1.036
+ 9501TIP3    H234813   0.079  -1.141   0.924
+ 9502TIP3   OH234814   1.052  -2.415  -0.318
+ 9502TIP3    H134815   0.971  -2.386  -0.277
+ 9502TIP3    H234816   1.098  -2.330  -0.331
+ 9503TIP3   OH234817  -0.105  -1.564  -0.026
+ 9503TIP3    H134818  -0.105  -1.475  -0.063
+ 9503TIP3    H234819  -0.189  -1.600  -0.057
+ 9504TIP3   OH234820   0.017  -2.281   0.447
+ 9504TIP3    H134821  -0.075  -2.312   0.436
+ 9504TIP3    H234822   0.010  -2.231   0.530
+ 9505TIP3   OH234823   0.447  -2.116  -0.430
+ 9505TIP3    H134824   0.386  -2.092  -0.359
+ 9505TIP3    H234825   0.392  -2.170  -0.489
+ 9506TIP3   OH234826   0.004  -1.873   0.110
+ 9506TIP3    H134827  -0.086  -1.837   0.106
+ 9506TIP3    H234828   0.039  -1.840   0.025
+ 9507TIP3   OH234829   0.544  -1.761  -0.010
+ 9507TIP3    H134830   0.518  -1.668  -0.016
+ 9507TIP3    H234831   0.627  -1.764  -0.062
+ 9508TIP3   OH234832   0.699  -1.821   0.243
+ 9508TIP3    H134833   0.637  -1.760   0.201
+ 9508TIP3    H234834   0.658  -1.906   0.228
+ 9509TIP3   OH234835   0.086  -2.059  -0.516
+ 9509TIP3    H134836   0.027  -2.118  -0.470
+ 9509TIP3    H234837   0.022  -2.000  -0.561
+ 9510TIP3   OH234838  -0.556  -2.042   0.158
+ 9510TIP3    H134839  -0.516  -2.053   0.246
+ 9510TIP3    H234840  -0.519  -2.114   0.106
+ 9511TIP3   OH234841  -0.450  -2.033  -0.276
+ 9511TIP3    H134842  -0.397  -1.995  -0.348
+ 9511TIP3    H234843  -0.507  -1.959  -0.253
+ 9512TIP3   OH234844   0.194  -2.093   0.223
+ 9512TIP3    H134845   0.166  -2.021   0.281
+ 9512TIP3    H234846   0.285  -2.107   0.256
+ 9513TIP3   OH234847  -0.272  -1.945   0.069
+ 9513TIP3    H134848  -0.360  -1.906   0.054
+ 9513TIP3    H234849  -0.274  -2.016   0.005
+ 9514TIP3   OH234850   0.097  -1.885  -0.177
+ 9514TIP3    H134851   0.191  -1.882  -0.155
+ 9514TIP3    H234852   0.091  -1.816  -0.246
+ 9515TIP3   OH234853   0.706  -2.065  -0.356
+ 9515TIP3    H134854   0.611  -2.060  -0.380
+ 9515TIP3    H234855   0.718  -1.979  -0.313
+ 9516TIP3   OH234856   0.780  -1.809  -0.200
+ 9516TIP3    H134857   0.865  -1.840  -0.163
+ 9516TIP3    H234858   0.807  -1.759  -0.278
+ 9517TIP3   OH234859   1.213  -1.819  -0.248
+ 9517TIP3    H134860   1.220  -1.872  -0.329
+ 9517TIP3    H234861   1.276  -1.747  -0.264
+ 9518TIP3   OH234862  -0.342  -2.127   0.874
+ 9518TIP3    H134863  -0.422  -2.072   0.877
+ 9518TIP3    H234864  -0.363  -2.199   0.935
+ 9519TIP3   OH234865   0.356  -0.975  -0.319
+ 9519TIP3    H134866   0.396  -1.007  -0.238
+ 9519TIP3    H234867   0.410  -0.900  -0.345
+ 9520TIP3   OH234868   0.365  -1.970  -0.042
+ 9520TIP3    H134869   0.439  -1.905  -0.039
+ 9520TIP3    H234870   0.343  -1.976   0.051
+ 9521TIP3   OH234871  -0.015  -2.170  -0.219
+ 9521TIP3    H134872   0.003  -2.075  -0.233
+ 9521TIP3    H234873   0.061  -2.214  -0.257
+ 9522TIP3   OH234874  -0.248  -2.361   0.391
+ 9522TIP3    H134875  -0.284  -2.359   0.301
+ 9522TIP3    H234876  -0.292  -2.439   0.430
+ 9523TIP3   OH234877   0.201  -2.365   0.815
+ 9523TIP3    H134878   0.183  -2.272   0.795
+ 9523TIP3    H234879   0.134  -2.412   0.762
+ 9524TIP3   OH234880   0.682  -2.210   1.282
+ 9524TIP3    H134881   0.733  -2.272   1.227
+ 9524TIP3    H234882   0.727  -2.126   1.265
+ 9525TIP3   OH234883  -0.223  -2.049   1.176
+ 9525TIP3    H134884  -0.240  -2.125   1.118
+ 9525TIP3    H234885  -0.248  -2.082   1.263
+ 9526TIP3   OH234886   0.182  -2.457   1.088
+ 9526TIP3    H134887   0.237  -2.536   1.083
+ 9526TIP3    H234888   0.185  -2.428   0.994
+ 9527TIP3   OH234889   0.287  -2.290   1.307
+ 9527TIP3    H134890   0.267  -2.345   1.229
+ 9527TIP3    H234891   0.214  -2.227   1.301
+ 9528TIP3   OH234892   1.004  -1.915  -0.061
+ 9528TIP3    H134893   1.031  -2.005  -0.038
+ 9528TIP3    H234894   1.089  -1.875  -0.088
+ 9529TIP3   OH234895   1.035  -1.876   0.477
+ 9529TIP3    H134896   1.128  -1.857   0.492
+ 9529TIP3    H234897   0.995  -1.868   0.566
+ 9530TIP3   OH234898  -0.504  -1.949   1.106
+ 9530TIP3    H134899  -0.412  -1.957   1.137
+ 9530TIP3    H234900  -0.547  -2.027   1.144
+ 9531TIP3   OH234901   1.302  -2.390   1.284
+ 9531TIP3    H134902   1.344  -2.459   1.230
+ 9531TIP3    H234903   1.301  -2.314   1.222
+ 9532TIP3   OH234904   1.041  -2.237  -0.070
+ 9532TIP3    H134905   1.062  -2.243   0.024
+ 9532TIP3    H234906   0.957  -2.283  -0.076
+ 9533TIP3   OH234907  -0.403  -2.104   0.410
+ 9533TIP3    H134908  -0.361  -2.186   0.439
+ 9533TIP3    H234909  -0.347  -2.036   0.448
+ 9534TIP3   OH234910   1.228  -2.194   1.105
+ 9534TIP3    H134911   1.143  -2.150   1.121
+ 9534TIP3    H234912   1.209  -2.244   1.024
+ 9535TIP3   OH234913   1.244  -2.207  -0.371
+ 9535TIP3    H134914   1.264  -2.255  -0.453
+ 9535TIP3    H234915   1.298  -2.127  -0.381
+ 9536TIP3   OH234916  -0.496  -2.210  -0.066
+ 9536TIP3    H134917  -0.591  -2.224  -0.080
+ 9536TIP3    H234918  -0.471  -2.158  -0.145
+ 9537TIP3   OH234919  -0.526  -2.347   0.719
+ 9537TIP3    H134920  -0.587  -2.343   0.794
+ 9537TIP3    H234921  -0.564  -2.277   0.662
+ 9538TIP3   OH234922   1.115  -2.371   0.918
+ 9538TIP3    H134923   1.047  -2.336   0.857
+ 9538TIP3    H234924   1.138  -2.455   0.875
+ 9539TIP3   OH234925   0.463  -2.226   0.292
+ 9539TIP3    H134926   0.411  -2.289   0.345
+ 9539TIP3    H234927   0.552  -2.264   0.296
+ 9540TIP3   OH234928   1.005  -2.474   0.393
+ 9540TIP3    H134929   1.057  -2.396   0.365
+ 9540TIP3    H234930   0.915  -2.436   0.384
+ 9541TIP3   OH234931   1.172  -2.320   0.193
+ 9541TIP3    H134932   1.248  -2.345   0.138
+ 9541TIP3    H234933   1.192  -2.226   0.209
+ 9542TIP3   OH234934  -0.266  -2.342   0.105
+ 9542TIP3    H134935  -0.349  -2.332   0.054
+ 9542TIP3    H234936  -0.248  -2.437   0.091
+ 9543TIP3   OH234937  -0.407  -2.407  -0.292
+ 9543TIP3    H134938  -0.379  -2.348  -0.363
+ 9543TIP3    H234939  -0.474  -2.356  -0.247
+ 9544TIP3   OH234940   0.720  -2.376   0.265
+ 9544TIP3    H134941   0.756  -2.383   0.176
+ 9544TIP3    H234942   0.677  -2.462   0.280
+ 9545TIP3   OH234943  -0.221  -2.204  -0.457
+ 9545TIP3    H134944  -0.177  -2.280  -0.501
+ 9545TIP3    H234945  -0.177  -2.202  -0.370
+ 9546TIP3   OH234946   0.330  -2.228  -0.167
+ 9546TIP3    H134947   0.288  -2.259  -0.086
+ 9546TIP3    H234948   0.310  -2.133  -0.161
+ 9547TIP3   OH234949  -0.316  -2.329   1.079
+ 9547TIP3    H134950  -0.349  -2.414   1.114
+ 9547TIP3    H234951  -0.222  -2.334   1.102
+ 9548TIP3   OH234952  -0.061  -2.393   1.251
+ 9548TIP3    H134953   0.014  -2.429   1.201
+ 9548TIP3    H234954  -0.106  -2.473   1.283
+ 9549TIP3   OH234955   0.738  -2.487   1.262
+ 9549TIP3    H134956   0.751  -2.522   1.352
+ 9549TIP3    H234957   0.828  -2.489   1.227
+ 9550TIP3   OH234958   2.500  -1.500   0.162
+ 9550TIP3    H134959   2.503  -1.403   0.158
+ 9550TIP3    H234960   2.425  -1.517   0.105
+ 9551TIP3   OH234961   2.376  -1.517   0.462
+ 9551TIP3    H134962   2.367  -1.578   0.536
+ 9551TIP3    H234963   2.343  -1.569   0.387
+ 9552TIP3   OH234964   2.767  -1.264   0.308
+ 9552TIP3    H134965   2.709  -1.322   0.360
+ 9552TIP3    H234966   2.739  -1.176   0.335
+ 9553TIP3   OH234967   3.101  -2.137   0.574
+ 9553TIP3    H134968   3.120  -2.070   0.641
+ 9553TIP3    H234969   3.157  -2.107   0.500
+ 9554TIP3   OH234970   2.562  -1.849   0.561
+ 9554TIP3    H134971   2.567  -1.946   0.565
+ 9554TIP3    H234972   2.545  -1.834   0.467
+ 9555TIP3   OH234973   2.642  -2.033   0.100
+ 9555TIP3    H134974   2.702  -2.076   0.164
+ 9555TIP3    H234975   2.705  -1.986   0.043
+ 9556TIP3   OH234976   3.176  -1.987   0.824
+ 9556TIP3    H134977   3.112  -1.921   0.792
+ 9556TIP3    H234978   3.137  -2.008   0.910
+ 9557TIP3   OH234979   1.734  -2.157   0.677
+ 9557TIP3    H134980   1.705  -2.108   0.598
+ 9557TIP3    H234981   1.663  -2.136   0.740
+ 9558TIP3   OH234982   2.509  -1.257   0.025
+ 9558TIP3    H134983   2.482  -1.259  -0.068
+ 9558TIP3    H234984   2.513  -1.163   0.044
+ 9559TIP3   OH234985   2.833  -2.115   0.302
+ 9559TIP3    H134986   2.781  -2.169   0.363
+ 9559TIP3    H234987   2.872  -2.049   0.362
+ 9560TIP3   OH234988   1.704  -1.994   0.452
+ 9560TIP3    H134989   1.735  -1.908   0.483
+ 9560TIP3    H234990   1.746  -1.995   0.363
+ 9561TIP3   OH234991   2.839  -2.190   0.688
+ 9561TIP3    H134992   2.760  -2.157   0.642
+ 9561TIP3    H234993   2.908  -2.178   0.620
+ 9562TIP3   OH234994   2.154  -2.424   0.402
+ 9562TIP3    H134995   2.127  -2.516   0.384
+ 9562TIP3    H234996   2.069  -2.382   0.427
+ 9563TIP3   OH234997   2.954  -1.216   0.900
+ 9563TIP3    H134998   2.921  -1.276   0.831
+ 9563TIP3    H234999   2.916  -1.131   0.874
+ 9564TIP3   OH235000   2.336  -1.471  -0.145
+ 9564TIP3    H135001   2.263  -1.471  -0.208
+ 9564TIP3    H235002   2.410  -1.504  -0.197
+ 9565TIP3   OH235003   2.358  -1.706  -0.410
+ 9565TIP3    H135004   2.441  -1.675  -0.372
+ 9565TIP3    H235005   2.387  -1.755  -0.487
+ 9566TIP3   OH235006   3.144  -1.585   0.733
+ 9566TIP3    H135007   3.059  -1.537   0.735
+ 9566TIP3    H235008   3.172  -1.571   0.641
+ 9567TIP3   OH235009   2.718  -1.519  -0.041
+ 9567TIP3    H135010   2.658  -1.478   0.023
+ 9567TIP3    H235011   2.774  -1.572   0.018
+ 9568TIP3   OH235012   2.694  -1.671   0.856
+ 9568TIP3    H135013   2.688  -1.596   0.917
+ 9568TIP3    H235014   2.626  -1.643   0.791
+ 9569TIP3   OH235015   2.593  -1.583  -0.279
+ 9569TIP3    H135016   2.642  -1.553  -0.199
+ 9569TIP3    H235017   2.642  -1.534  -0.349
+ 9570TIP3   OH235018   2.954  -2.412  -0.323
+ 9570TIP3    H135019   2.863  -2.403  -0.288
+ 9570TIP3    H235020   2.985  -2.320  -0.321
+ 9571TIP3   OH235021   3.073  -0.943  -0.418
+ 9571TIP3    H135022   3.119  -0.861  -0.439
+ 9571TIP3    H235023   3.148  -1.006  -0.411
+ 9572TIP3   OH235024   3.186  -0.942   1.073
+ 9572TIP3    H135025   3.177  -1.032   1.038
+ 9572TIP3    H235026   3.094  -0.909   1.051
+ 9573TIP3   OH235027   2.910  -1.811   1.093
+ 9573TIP3    H135028   2.845  -1.774   1.031
+ 9573TIP3    H235029   2.904  -1.906   1.069
+ 9574TIP3   OH235030   1.906  -2.303   0.480
+ 9574TIP3    H135031   1.826  -2.313   0.425
+ 9574TIP3    H235032   1.879  -2.228   0.535
+ 9575TIP3   OH235033   2.346  -2.349   0.848
+ 9575TIP3    H135034   2.398  -2.404   0.910
+ 9575TIP3    H235035   2.255  -2.383   0.858
+ 9576TIP3   OH235036   2.671  -1.967   0.909
+ 9576TIP3    H135037   2.600  -1.985   0.973
+ 9576TIP3    H235038   2.652  -1.876   0.879
+ 9577TIP3   OH235039   2.764  -1.470  -0.472
+ 9577TIP3    H135040   2.742  -1.492  -0.564
+ 9577TIP3    H235041   2.860  -1.453  -0.480
+ 9578TIP3   OH235042   2.332  -2.102  -0.425
+ 9578TIP3    H135043   2.278  -2.110  -0.344
+ 9578TIP3    H235044   2.286  -2.167  -0.482
+ 9579TIP3   OH235045   1.896  -1.862   0.657
+ 9579TIP3    H135046   1.812  -1.847   0.705
+ 9579TIP3    H235047   1.889  -1.800   0.584
+ 9580TIP3   OH235048   2.444  -1.752  -0.015
+ 9580TIP3    H135049   2.394  -1.681  -0.056
+ 9580TIP3    H235050   2.510  -1.773  -0.083
+ 9581TIP3   OH235051   2.369  -1.734   1.138
+ 9581TIP3    H135052   2.316  -1.811   1.167
+ 9581TIP3    H235053   2.458  -1.755   1.174
+ 9582TIP3   OH235054   2.532  -1.822   0.268
+ 9582TIP3    H135055   2.503  -1.761   0.198
+ 9582TIP3    H235056   2.548  -1.903   0.215
+ 9583TIP3   OH235057   1.654  -1.802   0.796
+ 9583TIP3    H135058   1.640  -1.752   0.877
+ 9583TIP3    H235059   1.597  -1.879   0.809
+ 9584TIP3   OH235060   1.974  -2.070  -0.527
+ 9584TIP3    H135061   1.940  -2.091  -0.437
+ 9584TIP3    H235062   1.900  -2.019  -0.563
+ 9585TIP3   OH235063   1.314  -2.072   0.171
+ 9585TIP3    H135064   1.376  -2.072   0.246
+ 9585TIP3    H235065   1.371  -2.093   0.096
+ 9586TIP3   OH235066   1.451  -1.996  -0.309
+ 9586TIP3    H135067   1.518  -1.935  -0.344
+ 9586TIP3    H235068   1.420  -1.946  -0.233
+ 9587TIP3   OH235069   2.437  -1.652   0.723
+ 9587TIP3    H135070   2.477  -1.723   0.668
+ 9587TIP3    H235071   2.384  -1.703   0.786
+ 9588TIP3   OH235072   2.137  -2.076   0.215
+ 9588TIP3    H135073   2.044  -2.045   0.215
+ 9588TIP3    H235074   2.160  -2.069   0.308
+ 9589TIP3   OH235075   2.011  -1.925  -0.185
+ 9589TIP3    H135076   2.074  -1.901  -0.116
+ 9589TIP3    H235077   1.965  -1.843  -0.203
+ 9590TIP3   OH235078   2.605  -2.152   0.518
+ 9590TIP3    H135079   2.539  -2.147   0.590
+ 9590TIP3    H235080   2.547  -2.184   0.446
+ 9591TIP3   OH235081   1.684  -1.352   1.166
+ 9591TIP3    H135082   1.737  -1.277   1.196
+ 9591TIP3    H235083   1.596  -1.313   1.167
+ 9592TIP3   OH235084   2.257  -1.788   0.389
+ 9592TIP3    H135085   2.322  -1.834   0.334
+ 9592TIP3    H235086   2.237  -1.854   0.458
+ 9593TIP3   OH235087   2.171  -1.954   0.613
+ 9593TIP3    H135088   2.084  -1.912   0.622
+ 9593TIP3    H235089   2.216  -1.928   0.696
+ 9594TIP3   OH235090   2.918  -1.404   0.672
+ 9594TIP3    H135091   2.951  -1.359   0.594
+ 9594TIP3    H235092   2.824  -1.415   0.646
+ 9595TIP3   OH235093   2.597  -2.037  -0.415
+ 9595TIP3    H135094   2.498  -2.045  -0.416
+ 9595TIP3    H235095   2.611  -1.966  -0.349
+ 9596TIP3   OH235096   2.662  -1.857  -0.204
+ 9596TIP3    H135097   2.751  -1.870  -0.168
+ 9596TIP3    H235098   2.668  -1.770  -0.247
+ 9597TIP3   OH235099   2.104  -1.593   1.130
+ 9597TIP3    H135100   2.064  -1.615   1.044
+ 9597TIP3    H235101   2.198  -1.587   1.109
+ 9598TIP3   OH235102   3.123  -1.855  -0.234
+ 9598TIP3    H135103   3.067  -1.873  -0.313
+ 9598TIP3    H235104   3.134  -1.759  -0.245
+ 9599TIP3   OH235105   3.175  -1.254   1.049
+ 9599TIP3    H135106   3.082  -1.228   1.034
+ 9599TIP3    H235107   3.203  -1.265   0.957
+ 9600TIP3   OH235108   2.669  -1.462   0.517
+ 9600TIP3    H135109   2.572  -1.469   0.506
+ 9600TIP3    H235110   2.700  -1.536   0.463
+ 9601TIP3   OH235111   1.535  -2.074   0.880
+ 9601TIP3    H135112   1.443  -2.060   0.857
+ 9601TIP3    H235113   1.533  -2.164   0.916
+ 9602TIP3   OH235114   2.446  -2.103   0.740
+ 9602TIP3    H135115   2.506  -2.084   0.813
+ 9602TIP3    H235116   2.394  -2.178   0.774
+ 9603TIP3   OH235117   2.521  -2.171  -0.139
+ 9603TIP3    H135118   2.521  -2.112  -0.216
+ 9603TIP3    H235119   2.550  -2.111  -0.068
+ 9604TIP3   OH235120   2.266  -1.973  -0.031
+ 9604TIP3    H135121   2.328  -1.900  -0.014
+ 9604TIP3    H235122   2.214  -1.977   0.052
+ 9605TIP3   OH235123   2.287  -1.850   0.876
+ 9605TIP3    H135124   2.297  -1.809   0.963
+ 9605TIP3    H235125   2.331  -1.935   0.889
+ 9606TIP3   OH235126   2.316  -2.262   0.063
+ 9606TIP3    H135127   2.280  -2.187   0.114
+ 9606TIP3    H235128   2.376  -2.217   0.001
+ 9607TIP3   OH235129   1.867  -2.159  -0.280
+ 9607TIP3    H135130   1.861  -2.087  -0.214
+ 9607TIP3    H235131   1.944  -2.207  -0.246
+ 9608TIP3   OH235132   2.921  -2.072   0.958
+ 9608TIP3    H135133   2.825  -2.054   0.951
+ 9608TIP3    H235134   2.935  -2.100   0.866
+ 9609TIP3   OH235135   2.769  -1.689   0.358
+ 9609TIP3    H135136   2.682  -1.727   0.334
+ 9609TIP3    H235137   2.810  -1.763   0.407
+ 9610TIP3   OH235138   1.636  -2.366   0.397
+ 9610TIP3    H135139   1.619  -2.355   0.300
+ 9610TIP3    H235140   1.577  -2.440   0.420
+ 9611TIP3   OH235141   2.768  -0.891  -0.531
+ 9611TIP3    H135142   2.813  -0.954  -0.475
+ 9611TIP3    H235143   2.839  -0.858  -0.589
+ 9612TIP3   OH235144   2.645  -1.346   0.936
+ 9612TIP3    H135145   2.709  -1.293   0.886
+ 9612TIP3    H235146   2.567  -1.288   0.932
+ 9613TIP3   OH235147   1.505  -1.648   1.171
+ 9613TIP3    H135148   1.595  -1.683   1.166
+ 9613TIP3    H235149   1.515  -1.579   1.238
+ 9614TIP3   OH235150   1.931  -1.692   0.924
+ 9614TIP3    H135151   1.861  -1.632   0.952
+ 9614TIP3    H235152   1.949  -1.664   0.833
+ 9615TIP3   OH235153   2.469  -1.483   1.324
+ 9615TIP3    H135154   2.509  -1.439   1.248
+ 9615TIP3    H235155   2.398  -1.533   1.283
+ 9616TIP3   OH235156   3.032  -1.442  -0.551
+ 9616TIP3    H135157   3.021  -1.485  -0.637
+ 9616TIP3    H235158   3.022  -1.347  -0.576
+ 9617TIP3   OH235159   1.969  -1.988   1.026
+ 9617TIP3    H135160   1.970  -2.056   0.956
+ 9617TIP3    H235161   1.949  -1.908   0.975
+ 9618TIP3   OH235162   1.999  -2.148   0.771
+ 9618TIP3    H135163   2.050  -2.094   0.708
+ 9618TIP3    H235164   1.908  -2.139   0.737
+ 9619TIP3   OH235165   2.613  -1.812   1.285
+ 9619TIP3    H135166   2.637  -1.904   1.305
+ 9619TIP3    H235167   2.698  -1.767   1.289
+ 9620TIP3   OH235168   2.712  -1.524   1.131
+ 9620TIP3    H135169   2.671  -1.457   1.071
+ 9620TIP3    H235170   2.799  -1.534   1.089
+ 9621TIP3   OH235171   1.782  -1.804   1.208
+ 9621TIP3    H135172   1.725  -1.883   1.207
+ 9621TIP3    H235173   1.862  -1.836   1.163
+ 9622TIP3   OH235174   2.071  -2.414   0.811
+ 9622TIP3    H135175   2.055  -2.319   0.792
+ 9622TIP3    H235176   2.003  -2.455   0.754
+ 9623TIP3   OH235177   2.200  -1.960   1.186
+ 9623TIP3    H135178   2.161  -1.975   1.274
+ 9623TIP3    H235179   2.119  -1.974   1.131
+ 9624TIP3   OH235180   2.453  -2.050   1.073
+ 9624TIP3    H135181   2.364  -2.042   1.113
+ 9624TIP3    H235182   2.496  -2.113   1.133
+ 9625TIP3   OH235183   2.646  -2.204   1.252
+ 9625TIP3    H135184   2.621  -2.298   1.264
+ 9625TIP3    H235185   2.617  -2.163   1.335
+ 9626TIP3   OH235186   1.661  -2.063   1.194
+ 9626TIP3    H135187   1.633  -2.126   1.125
+ 9626TIP3    H235188   1.618  -2.101   1.273
+ 9627TIP3   OH235189   2.056  -2.465   1.091
+ 9627TIP3    H135190   2.116  -2.541   1.094
+ 9627TIP3    H235191   2.051  -2.449   0.995
+ 9628TIP3   OH235192   2.150  -2.280   1.279
+ 9628TIP3    H135193   2.120  -2.337   1.205
+ 9628TIP3    H235194   2.083  -2.210   1.278
+ 9629TIP3   OH235195   2.940  -1.202   1.279
+ 9629TIP3    H135196   2.845  -1.192   1.299
+ 9629TIP3    H235197   2.974  -1.115   1.304
+ 9630TIP3   OH235198   3.132  -1.518   0.014
+ 9630TIP3    H135199   3.052  -1.560   0.052
+ 9630TIP3    H235200   3.184  -1.495   0.093
+ 9631TIP3   OH235201   3.148  -1.548  -0.304
+ 9631TIP3    H135202   3.090  -1.520  -0.377
+ 9631TIP3    H235203   3.126  -1.485  -0.235
+ 9632TIP3   OH235204   2.977  -1.814  -0.475
+ 9632TIP3    H135205   2.993  -1.754  -0.549
+ 9632TIP3    H235206   2.946  -1.895  -0.521
+ 9633TIP3   OH235207   2.915  -1.686   0.116
+ 9633TIP3    H135208   2.903  -1.780   0.096
+ 9633TIP3    H235209   2.870  -1.677   0.203
+ 9634TIP3   OH235210   2.974  -1.503   1.030
+ 9634TIP3    H135211   3.051  -1.560   1.042
+ 9634TIP3    H235212   3.012  -1.416   1.016
+ 9635TIP3   OH235213   3.158  -1.691   1.138
+ 9635TIP3    H135214   3.068  -1.728   1.128
+ 9635TIP3    H235215   3.208  -1.774   1.146
+ 9636TIP3   OH235216   2.916  -2.078  -0.555
+ 9636TIP3    H135217   2.970  -2.131  -0.494
+ 9636TIP3    H235218   2.834  -2.128  -0.566
+ 9637TIP3   OH235219   2.902  -1.946  -0.056
+ 9637TIP3    H135220   2.922  -2.041  -0.054
+ 9637TIP3    H235221   2.981  -1.912  -0.103
+ 9638TIP3   OH235222   2.919  -1.894   0.481
+ 9638TIP3    H135223   3.014  -1.877   0.481
+ 9638TIP3    H235224   2.899  -1.886   0.576
+ 9639TIP3   OH235225   2.938  -1.815   0.761
+ 9639TIP3    H135226   2.850  -1.783   0.789
+ 9639TIP3    H235227   2.986  -1.731   0.751
+ 9640TIP3   OH235228   1.364  -1.925   1.170
+ 9640TIP3    H135229   1.442  -1.918   1.115
+ 9640TIP3    H235230   1.306  -1.982   1.118
+ 9641TIP3   OH235231   3.197  -2.402   1.296
+ 9641TIP3    H135232   3.233  -2.473   1.240
+ 9641TIP3    H235233   3.194  -2.327   1.234
+ 9642TIP3   OH235234   2.945  -2.229  -0.063
+ 9642TIP3    H135235   2.947  -2.261   0.029
+ 9642TIP3    H235236   2.866  -2.276  -0.097
+ 9643TIP3   OH235237   1.457  -2.121   0.420
+ 9643TIP3    H135238   1.510  -2.203   0.420
+ 9643TIP3    H235239   1.526  -2.056   0.437
+ 9644TIP3   OH235240   1.349  -1.821   0.508
+ 9644TIP3    H135241   1.377  -1.843   0.419
+ 9644TIP3    H235242   1.382  -1.731   0.518
+ 9645TIP3   OH235243   3.130  -2.200   1.118
+ 9645TIP3    H135244   3.042  -2.158   1.123
+ 9645TIP3    H235245   3.117  -2.255   1.038
+ 9646TIP3   OH235246   3.144  -2.185  -0.391
+ 9646TIP3    H135247   3.170  -2.262  -0.444
+ 9646TIP3    H235248   3.222  -2.128  -0.396
+ 9647TIP3   OH235249   1.353  -2.211  -0.088
+ 9647TIP3    H135250   1.262  -2.192  -0.115
+ 9647TIP3    H235251   1.405  -2.150  -0.141
+ 9648TIP3   OH235252   1.368  -2.313   0.734
+ 9648TIP3    H135253   1.298  -2.351   0.788
+ 9648TIP3    H235254   1.318  -2.258   0.670
+ 9649TIP3   OH235255   3.018  -2.376   0.916
+ 9649TIP3    H135256   2.937  -2.356   0.866
+ 9649TIP3    H235257   3.038  -2.466   0.882
+ 9650TIP3   OH235258   2.368  -2.230   0.373
+ 9650TIP3    H135259   2.290  -2.287   0.380
+ 9650TIP3    H235260   2.408  -2.263   0.291
+ 9651TIP3   OH235261   2.855  -2.424   0.410
+ 9651TIP3    H135262   2.929  -2.379   0.366
+ 9651TIP3    H235263   2.779  -2.399   0.355
+ 9652TIP3   OH235264   3.069  -2.316   0.203
+ 9652TIP3    H135265   3.134  -2.355   0.142
+ 9652TIP3    H235266   3.092  -2.222   0.203
+ 9653TIP3   OH235267   1.593  -2.349   0.132
+ 9653TIP3    H135268   1.524  -2.346   0.063
+ 9653TIP3    H235269   1.667  -2.386   0.084
+ 9654TIP3   OH235270   1.478  -2.405  -0.298
+ 9654TIP3    H135271   1.527  -2.336  -0.347
+ 9654TIP3    H235272   1.428  -2.350  -0.235
+ 9655TIP3   OH235273   2.055  -2.396   0.106
+ 9655TIP3    H135274   2.132  -2.339   0.096
+ 9655TIP3    H235275   2.029  -2.376   0.197
+ 9656TIP3   OH235276   2.615  -2.373   0.251
+ 9656TIP3    H135277   2.622  -2.380   0.155
+ 9656TIP3    H235278   2.560  -2.450   0.273
+ 9657TIP3   OH235279   2.716  -2.369  -0.156
+ 9657TIP3    H135280   2.636  -2.313  -0.164
+ 9657TIP3    H235281   2.676  -2.457  -0.144
+ 9658TIP3   OH235282   1.657  -2.220  -0.458
+ 9658TIP3    H135283   1.725  -2.274  -0.502
+ 9658TIP3    H235284   1.709  -2.186  -0.382
+ 9659TIP3   OH235285   2.170  -2.214  -0.196
+ 9659TIP3    H135286   2.182  -2.264  -0.114
+ 9659TIP3    H235287   2.161  -2.123  -0.163
+ 9660TIP3   OH235288   1.575  -2.330   1.067
+ 9660TIP3    H135289   1.536  -2.411   1.105
+ 9660TIP3    H235290   1.667  -2.338   1.096
+ 9661TIP3   OH235291   1.816  -2.392   1.247
+ 9661TIP3    H135292   1.896  -2.427   1.204
+ 9661TIP3    H235293   1.778  -2.473   1.286
+ 9662TIP3   OH235294   2.625  -2.484   1.262
+ 9662TIP3    H135295   2.630  -2.524   1.350
+ 9662TIP3    H235296   2.719  -2.486   1.235
+ 9663TIP3   OH235297   4.209  -1.566   0.453
+ 9663TIP3    H135298   4.283  -1.547   0.514
+ 9663TIP3    H235299   4.257  -1.573   0.370
+ 9664TIP3   OH235300   3.519  -1.590   0.668
+ 9664TIP3    H135301   3.570  -1.648   0.724
+ 9664TIP3    H235302   3.583  -1.520   0.647
+ 9665TIP3   OH235303   3.593  -1.109   0.459
+ 9665TIP3    H135304   3.560  -1.200   0.446
+ 9665TIP3    H235305   3.687  -1.124   0.477
+ 9666TIP3   OH235306   3.279  -1.768   0.012
+ 9666TIP3    H135307   3.233  -1.683   0.011
+ 9666TIP3    H235308   3.213  -1.825  -0.029
+ 9667TIP3   OH235309   3.356  -1.519   0.201
+ 9667TIP3    H135310   3.360  -1.605   0.246
+ 9667TIP3    H235311   3.432  -1.523   0.143
+ 9668TIP3   OH235312   4.122  -1.288   0.518
+ 9668TIP3    H135313   4.153  -1.365   0.467
+ 9668TIP3    H235314   4.204  -1.259   0.560
+ 9669TIP3   OH235315   3.743  -2.049   0.267
+ 9669TIP3    H135316   3.755  -1.965   0.218
+ 9669TIP3    H235317   3.711  -2.106   0.194
+ 9670TIP3   OH235318   3.420  -1.772   0.317
+ 9670TIP3    H135319   3.470  -1.834   0.371
+ 9670TIP3    H235320   3.412  -1.821   0.233
+ 9671TIP3   OH235321   3.952  -1.643   0.255
+ 9671TIP3    H135322   4.026  -1.692   0.298
+ 9671TIP3    H235323   3.900  -1.717   0.219
+ 9672TIP3   OH235324   3.628  -2.171   0.682
+ 9672TIP3    H135325   3.582  -2.132   0.606
+ 9672TIP3    H235326   3.561  -2.158   0.752
+ 9673TIP3   OH235327   3.910  -1.389   0.693
+ 9673TIP3    H135328   3.842  -1.323   0.720
+ 9673TIP3    H235329   3.981  -1.331   0.659
+ 9674TIP3   OH235330   3.586  -1.966   0.476
+ 9674TIP3    H135331   3.656  -1.911   0.513
+ 9674TIP3    H235332   3.636  -2.009   0.403
+ 9675TIP3   OH235333   3.710  -1.201   0.768
+ 9675TIP3    H135334   3.714  -1.112   0.729
+ 9675TIP3    H235335   3.623  -1.195   0.812
+ 9676TIP3   OH235336   4.044  -2.426   0.398
+ 9676TIP3    H135337   4.017  -2.520   0.395
+ 9676TIP3    H235338   3.964  -2.384   0.434
+ 9677TIP3   OH235339   4.278  -1.690  -0.436
+ 9677TIP3    H135340   4.332  -1.715  -0.358
+ 9677TIP3    H235341   4.285  -1.770  -0.489
+ 9678TIP3   OH235342   3.768  -1.453   0.145
+ 9678TIP3    H135343   3.718  -1.500   0.076
+ 9678TIP3    H235344   3.815  -1.525   0.192
+ 9679TIP3   OH235345   3.896  -1.120   0.435
+ 9679TIP3    H135346   3.890  -1.151   0.344
+ 9679TIP3    H235347   3.979  -1.160   0.466
+ 9680TIP3   OH235348   3.810  -1.576   0.507
+ 9680TIP3    H135349   3.871  -1.574   0.432
+ 9680TIP3    H235350   3.850  -1.508   0.566
+ 9681TIP3   OH235351   3.899  -1.139   0.989
+ 9681TIP3    H135352   3.851  -1.069   1.036
+ 9681TIP3    H235353   3.837  -1.160   0.917
+ 9682TIP3   OH235354   4.239  -0.929   0.079
+ 9682TIP3    H135355   4.297  -0.883   0.143
+ 9682TIP3    H235356   4.202  -0.855   0.030
+ 9683TIP3   OH235357   3.710  -0.921   1.071
+ 9683TIP3    H135358   3.704  -0.914   0.974
+ 9683TIP3    H235359   3.619  -0.946   1.097
+ 9684TIP3   OH235360   3.683  -1.561  -0.103
+ 9684TIP3    H135361   3.636  -1.492  -0.154
+ 9684TIP3    H235362   3.626  -1.638  -0.121
+ 9685TIP3   OH235363   3.261  -1.328   0.784
+ 9685TIP3    H135364   3.229  -1.314   0.693
+ 9685TIP3    H235365   3.245  -1.423   0.791
+ 9686TIP3   OH235366   4.174  -1.037   0.941
+ 9686TIP3    H135367   4.182  -0.946   0.973
+ 9686TIP3    H235368   4.082  -1.061   0.959
+ 9687TIP3   OH235369   4.183  -0.655  -0.074
+ 9687TIP3    H135370   4.205  -0.648  -0.168
+ 9687TIP3    H235371   4.205  -0.568  -0.038
+ 9688TIP3   OH235372   3.470  -1.150   0.900
+ 9688TIP3    H135373   3.496  -1.198   0.981
+ 9688TIP3    H235374   3.396  -1.204   0.867
+ 9689TIP3   OH235375   3.798  -2.306   0.480
+ 9689TIP3    H135376   3.717  -2.318   0.428
+ 9689TIP3    H235377   3.769  -2.237   0.541
+ 9690TIP3   OH235378   4.232  -2.373   0.908
+ 9690TIP3    H135379   4.246  -2.445   0.972
+ 9690TIP3    H235380   4.142  -2.393   0.877
+ 9691TIP3   OH235381   4.233  -2.095  -0.417
+ 9691TIP3    H135382   4.170  -2.115  -0.346
+ 9691TIP3    H235383   4.205  -2.157  -0.485
+ 9692TIP3   OH235384   3.784  -1.829   0.634
+ 9692TIP3    H135385   3.706  -1.828   0.690
+ 9692TIP3    H235386   3.787  -1.739   0.595
+ 9693TIP3   OH235387   3.771  -1.813   0.105
+ 9693TIP3    H135388   3.676  -1.833   0.094
+ 9693TIP3    H235389   3.806  -1.847   0.020
+ 9694TIP3   OH235390  -4.346  -1.780  -0.191
+ 9694TIP3    H135391  -4.395  -1.709  -0.147
+ 9694TIP3    H235392  -4.271  -1.789  -0.129
+ 9695TIP3   OH235393   4.247  -1.740   1.145
+ 9695TIP3    H135394   4.195  -1.822   1.159
+ 9695TIP3    H235395   4.337  -1.779   1.143
+ 9696TIP3   OH235396   3.866  -2.047  -0.532
+ 9696TIP3    H135397   3.821  -2.089  -0.456
+ 9696TIP3    H235398   3.791  -2.030  -0.592
+ 9697TIP3   OH235399   3.208  -2.054   0.169
+ 9697TIP3    H135400   3.263  -2.076   0.247
+ 9697TIP3    H235401   3.246  -2.107   0.097
+ 9698TIP3   OH235402   3.364  -2.019  -0.254
+ 9698TIP3    H135403   3.412  -1.973  -0.325
+ 9698TIP3    H235404   3.289  -1.959  -0.240
+ 9699TIP3   OH235405   4.340  -1.684   0.749
+ 9699TIP3    H135406   4.378  -1.745   0.683
+ 9699TIP3    H235407   4.274  -1.743   0.788
+ 9700TIP3   OH235408   4.050  -2.077   0.212
+ 9700TIP3    H135409   3.956  -2.078   0.235
+ 9700TIP3    H235410   4.091  -2.071   0.300
+ 9701TIP3   OH235411   3.513  -1.935   0.076
+ 9701TIP3    H135412   3.426  -1.913   0.039
+ 9701TIP3    H235413   3.534  -2.019   0.032
+ 9702TIP3   OH235414   3.873  -1.896  -0.144
+ 9702TIP3    H135415   3.970  -1.899  -0.151
+ 9702TIP3    H235416   3.843  -1.857  -0.229
+ 9703TIP3   OH235417   3.724  -1.784  -0.368
+ 9703TIP3    H135418   3.662  -1.810  -0.438
+ 9703TIP3    H235419   3.799  -1.752  -0.422
+ 9704TIP3   OH235420   3.582  -1.345   1.102
+ 9704TIP3    H135421   3.651  -1.327   1.168
+ 9704TIP3    H235422   3.502  -1.335   1.157
+ 9705TIP3   OH235423   4.146  -1.842   0.349
+ 9705TIP3    H135424   4.225  -1.888   0.318
+ 9705TIP3    H235425   4.158  -1.850   0.446
+ 9706TIP3   OH235426   3.686  -2.168   0.016
+ 9706TIP3    H135427   3.624  -2.241   0.029
+ 9706TIP3    H235428   3.762  -2.213  -0.024
+ 9707TIP3   OH235429   4.045  -1.970   0.623
+ 9707TIP3    H135430   3.974  -1.905   0.618
+ 9707TIP3    H235431   4.102  -1.933   0.693
+ 9708TIP3   OH235432   4.187  -1.340   0.937
+ 9708TIP3    H135433   4.195  -1.348   1.032
+ 9708TIP3    H235434   4.214  -1.249   0.920
+ 9709TIP3   OH235435   3.578  -1.396   0.407
+ 9709TIP3    H135436   3.624  -1.388   0.322
+ 9709TIP3    H235437   3.595  -1.488   0.430
+ 9710TIP3   OH235438   4.266  -1.211  -0.278
+ 9710TIP3    H135439   4.254  -1.116  -0.256
+ 9710TIP3    H235440   4.174  -1.240  -0.277
+ 9711TIP3   OH235441   3.992  -1.622   1.100
+ 9711TIP3    H135442   3.995  -1.627   1.002
+ 9711TIP3    H235443   4.086  -1.638   1.119
+ 9712TIP3   OH235444   3.817  -1.061   0.113
+ 9712TIP3    H135445   3.859  -0.974   0.114
+ 9712TIP3    H235446   3.724  -1.036   0.108
+ 9713TIP3   OH235447   3.408  -1.578  -0.416
+ 9713TIP3    H135448   3.460  -1.505  -0.380
+ 9713TIP3    H235449   3.318  -1.554  -0.386
+ 9714TIP3   OH235450   3.981  -1.313   0.033
+ 9714TIP3    H135451   3.998  -1.220   0.057
+ 9714TIP3    H235452   3.918  -1.335   0.105
+ 9715TIP3   OH235453   4.021  -0.857   0.719
+ 9715TIP3    H135454   4.077  -0.785   0.683
+ 9715TIP3    H235455   4.087  -0.909   0.766
+ 9716TIP3   OH235456   3.827  -0.759   0.036
+ 9716TIP3    H135457   3.738  -0.743   0.068
+ 9716TIP3    H235458   3.873  -0.676   0.063
+ 9717TIP3   OH235459   3.446  -2.072   0.881
+ 9717TIP3    H135460   3.356  -2.044   0.853
+ 9717TIP3    H235461   3.428  -2.159   0.919
+ 9718TIP3   OH235462   3.427  -0.900   0.709
+ 9718TIP3    H135463   3.443  -0.995   0.705
+ 9718TIP3    H235464   3.438  -0.881   0.802
+ 9719TIP3   OH235465   3.994  -1.048  -0.575
+ 9719TIP3    H135466   4.025  -1.120  -0.634
+ 9719TIP3    H235467   3.965  -1.100  -0.498
+ 9720TIP3   OH235468   3.925  -1.136  -0.277
+ 9720TIP3    H135469   3.925  -1.151  -0.182
+ 9720TIP3    H235470   3.916  -1.039  -0.279
+ 9721TIP3   OH235471   3.554  -1.337  -0.244
+ 9721TIP3    H135472   3.471  -1.301  -0.211
+ 9721TIP3    H235473   3.591  -1.258  -0.288
+ 9722TIP3   OH235474   4.332  -2.066   0.792
+ 9722TIP3    H135475   4.394  -2.139   0.805
+ 9722TIP3    H235476   4.273  -2.105   0.726
+ 9723TIP3   OH235477   4.169  -0.943  -0.252
+ 9723TIP3    H135478   4.091  -0.890  -0.228
+ 9723TIP3    H235479   4.215  -0.882  -0.310
+ 9724TIP3   OH235480   4.137  -1.947  -0.032
+ 9724TIP3    H135481   4.232  -1.939  -0.023
+ 9724TIP3    H235482   4.111  -1.983   0.055
+ 9725TIP3   OH235483   4.164  -1.874   0.877
+ 9725TIP3    H135484   4.189  -1.831   0.960
+ 9725TIP3    H235485   4.230  -1.947   0.871
+ 9726TIP3   OH235486   4.193  -2.269   0.074
+ 9726TIP3    H135487   4.168  -2.191   0.128
+ 9726TIP3    H235488   4.272  -2.238   0.027
+ 9727TIP3   OH235489   3.889  -0.841  -0.243
+ 9727TIP3    H135490   3.891  -0.760  -0.299
+ 9727TIP3    H235491   3.873  -0.803  -0.155
+ 9728TIP3   OH235492   3.768  -2.162  -0.300
+ 9728TIP3    H135493   3.766  -2.090  -0.236
+ 9728TIP3    H235494   3.847  -2.213  -0.274
+ 9729TIP3   OH235495   3.622  -1.085  -0.374
+ 9729TIP3    H135496   3.684  -1.012  -0.357
+ 9729TIP3    H235497   3.664  -1.126  -0.451
+ 9730TIP3   OH235498   3.424  -1.855  -0.475
+ 9730TIP3    H135499   3.429  -1.760  -0.454
+ 9730TIP3    H235500   3.341  -1.861  -0.525
+ 9731TIP3   OH235501   3.517  -2.352   0.401
+ 9731TIP3    H135502   3.498  -2.355   0.305
+ 9731TIP3    H235503   3.483  -2.438   0.431
+ 9732TIP3   OH235504   3.350  -0.709   1.137
+ 9732TIP3    H135505   3.397  -0.743   1.215
+ 9732TIP3    H235506   3.296  -0.787   1.110
+ 9733TIP3   OH235507   3.811  -0.809   1.323
+ 9733TIP3    H135508   3.882  -0.872   1.341
+ 9733TIP3    H235509   3.789  -0.832   1.231
+ 9734TIP3   OH235510   4.230  -0.883  -0.548
+ 9734TIP3    H135511   4.145  -0.931  -0.544
+ 9734TIP3    H235512   4.290  -0.958  -0.564
+ 9735TIP3   OH235513   3.345  -1.351   1.247
+ 9735TIP3    H135514   3.328  -1.446   1.237
+ 9735TIP3    H235515   3.270  -1.314   1.195
+ 9736TIP3   OH235516   3.766  -1.309  -0.534
+ 9736TIP3    H135517   3.773  -1.395  -0.490
+ 9736TIP3    H235518   3.846  -1.310  -0.590
+ 9737TIP3   OH235519   3.999  -1.332   1.190
+ 9737TIP3    H135520   3.982  -1.293   1.102
+ 9737TIP3    H235521   4.016  -1.425   1.170
+ 9738TIP3   OH235522   4.265  -1.173  -0.586
+ 9738TIP3    H135523   4.283  -1.165  -0.491
+ 9738TIP3    H235524   4.246  -1.269  -0.594
+ 9739TIP3   OH235525   3.721  -1.668   0.900
+ 9739TIP3    H135526   3.753  -1.605   0.967
+ 9739TIP3    H235527   3.804  -1.682   0.851
+ 9740TIP3   OH235528   3.983  -1.668  -0.458
+ 9740TIP3    H135529   3.960  -1.670  -0.552
+ 9740TIP3    H235530   4.080  -1.668  -0.463
+ 9741TIP3   OH235531   4.278  -1.476   1.285
+ 9741TIP3    H135532   4.353  -1.501   1.230
+ 9741TIP3    H235533   4.270  -1.556   1.339
+ 9742TIP3   OH235534   3.856  -1.994   1.031
+ 9742TIP3    H135535   3.862  -2.064   0.963
+ 9742TIP3    H235536   3.849  -1.916   0.976
+ 9743TIP3   OH235537   3.885  -2.143   0.777
+ 9743TIP3    H135538   3.936  -2.093   0.710
+ 9743TIP3    H235539   3.795  -2.147   0.739
+ 9744TIP3   OH235540   4.050  -1.607   0.813
+ 9744TIP3    H135541   4.130  -1.617   0.758
+ 9744TIP3    H235542   4.025  -1.516   0.790
+ 9745TIP3   OH235543   3.655  -1.799   1.170
+ 9745TIP3    H135544   3.609  -1.870   1.219
+ 9745TIP3    H235545   3.746  -1.834   1.168
+ 9746TIP3   OH235546   3.971  -2.409   0.810
+ 9746TIP3    H135547   3.946  -2.316   0.793
+ 9746TIP3    H235548   3.905  -2.457   0.755
+ 9747TIP3   OH235549   4.101  -1.962   1.185
+ 9747TIP3    H135550   4.068  -1.994   1.271
+ 9747TIP3    H235551   4.028  -1.989   1.127
+ 9748TIP3   OH235552   3.536  -2.065   1.193
+ 9748TIP3    H135553   3.530  -2.139   1.129
+ 9748TIP3    H235554   3.519  -2.112   1.277
+ 9749TIP3   OH235555   3.947  -2.462   1.093
+ 9749TIP3    H135556   4.004  -2.540   1.098
+ 9749TIP3    H235557   3.943  -2.449   0.996
+ 9750TIP3   OH235558   4.037  -2.280   1.285
+ 9750TIP3    H135559   4.011  -2.339   1.211
+ 9750TIP3    H235560   3.968  -2.213   1.281
+ 9751TIP3   OH235561   3.957  -0.584  -0.373
+ 9751TIP3    H135562   4.052  -0.568  -0.366
+ 9751TIP3    H235563   3.936  -0.531  -0.452
+ 9752TIP3   OH235564   3.322  -1.131  -0.420
+ 9752TIP3    H135565   3.415  -1.115  -0.399
+ 9752TIP3    H235566   3.325  -1.210  -0.477
+ 9753TIP3   OH235567   3.270  -1.479   0.499
+ 9753TIP3    H135568   3.281  -1.459   0.405
+ 9753TIP3    H235569   3.362  -1.474   0.530
+ 9754TIP3   OH235570   3.283  -1.942   1.134
+ 9754TIP3    H135571   3.370  -1.985   1.142
+ 9754TIP3    H235572   3.224  -2.020   1.135
+ 9755TIP3   OH235573   3.349  -2.108   0.411
+ 9755TIP3    H135574   3.390  -2.196   0.419
+ 9755TIP3    H235575   3.419  -2.051   0.449
+ 9756TIP3   OH235576   3.208  -1.833   0.525
+ 9756TIP3    H135577   3.251  -1.851   0.440
+ 9756TIP3    H235578   3.247  -1.747   0.547
+ 9757TIP3   OH235579   3.250  -2.203  -0.072
+ 9757TIP3    H135580   3.156  -2.206  -0.098
+ 9757TIP3    H235581   3.290  -2.149  -0.143
+ 9758TIP3   OH235582   3.258  -2.317   0.737
+ 9758TIP3    H135583   3.187  -2.348   0.796
+ 9758TIP3    H235584   3.206  -2.268   0.671
+ 9759TIP3   OH235585   3.446  -1.016   1.201
+ 9759TIP3    H135586   3.372  -1.008   1.138
+ 9759TIP3    H235587   3.401  -1.010   1.285
+ 9760TIP3   OH235588   3.748  -0.914   0.779
+ 9760TIP3    H135589   3.706  -0.836   0.736
+ 9760TIP3    H235590   3.842  -0.897   0.756
+ 9761TIP3   OH235591   4.219  -0.749   1.062
+ 9761TIP3    H135592   4.206  -0.786   1.150
+ 9761TIP3    H235593   4.314  -0.728   1.066
+ 9762TIP3   OH235594   3.459  -0.581   0.798
+ 9762TIP3    H135595   3.385  -0.552   0.744
+ 9762TIP3    H235596   3.416  -0.608   0.880
+ 9763TIP3   OH235597   3.725  -0.637   0.670
+ 9763TIP3    H135598   3.636  -0.616   0.705
+ 9763TIP3    H235599   3.731  -0.574   0.596
+ 9764TIP3   OH235600   4.194  -0.660   0.618
+ 9764TIP3    H135601   4.178  -0.612   0.535
+ 9764TIP3    H235602   4.261  -0.605   0.660
+ 9765TIP3   OH235603   3.624  -0.854   0.312
+ 9765TIP3    H135604   3.591  -0.930   0.364
+ 9765TIP3    H235605   3.698  -0.824   0.368
+ 9766TIP3   OH235606   3.908  -0.811   0.430
+ 9766TIP3    H135607   3.921  -0.904   0.408
+ 9766TIP3    H235608   3.913  -0.813   0.527
+ 9767TIP3   OH235609   4.259  -2.254   0.364
+ 9767TIP3    H135610   4.180  -2.310   0.377
+ 9767TIP3    H235611   4.300  -2.297   0.289
+ 9768TIP3   OH235612   3.482  -2.355   0.117
+ 9768TIP3    H135613   3.395  -2.366   0.074
+ 9768TIP3    H235614   3.521  -2.443   0.103
+ 9769TIP3   OH235615   3.369  -2.409  -0.290
+ 9769TIP3    H135616   3.412  -2.342  -0.347
+ 9769TIP3    H235617   3.317  -2.354  -0.230
+ 9770TIP3   OH235618   3.932  -2.368   0.106
+ 9770TIP3    H135619   4.027  -2.345   0.098
+ 9770TIP3    H235620   3.926  -2.385   0.201
+ 9771TIP3   OH235621   3.531  -2.225  -0.449
+ 9771TIP3    H135622   3.590  -2.279  -0.504
+ 9771TIP3    H235623   3.593  -2.192  -0.382
+ 9772TIP3   OH235624   4.079  -2.199  -0.191
+ 9772TIP3    H135625   4.067  -2.268  -0.123
+ 9772TIP3    H235626   4.049  -2.119  -0.145
+ 9773TIP3   OH235627   4.264  -0.650  -0.366
+ 9773TIP3    H135628   4.350  -0.608  -0.384
+ 9773TIP3    H235629   4.249  -0.704  -0.446
+ 9774TIP3   OH235630   3.464  -2.323   1.074
+ 9774TIP3    H135631   3.418  -2.404   1.102
+ 9774TIP3    H235632   3.555  -2.347   1.094
+ 9775TIP3   OH235633   3.702  -2.392   1.247
+ 9775TIP3    H135634   3.782  -2.430   1.206
+ 9775TIP3    H235635   3.662  -2.472   1.287
+ 9776TIP3   OH235636   3.520  -0.725  -0.493
+ 9776TIP3    H135637   3.502  -0.680  -0.409
+ 9776TIP3    H235638   3.606  -0.766  -0.479
+ 9777TIP3   OH235639  -3.161   0.406   0.146
+ 9777TIP3    H135640  -3.163   0.503   0.151
+ 9777TIP3    H235641  -3.236   0.388   0.088
+ 9778TIP3   OH235642  -3.267   0.351   0.456
+ 9778TIP3    H135643  -3.272   0.287   0.528
+ 9778TIP3    H235644  -3.293   0.295   0.381
+ 9779TIP3   OH235645  -4.031   0.308   0.617
+ 9779TIP3    H135646  -4.032   0.233   0.680
+ 9779TIP3    H235647  -3.957   0.360   0.650
+ 9780TIP3   OH235648  -2.903   0.625   0.283
+ 9780TIP3    H135649  -2.941   0.551   0.333
+ 9780TIP3    H235650  -2.876   0.684   0.354
+ 9781TIP3   OH235651  -3.960   0.768   0.471
+ 9781TIP3    H135652  -3.988   0.679   0.440
+ 9781TIP3    H235653  -3.865   0.753   0.482
+ 9782TIP3   OH235654  -4.182   0.190  -0.072
+ 9782TIP3    H135655  -4.218   0.267  -0.025
+ 9782TIP3    H235656  -4.221   0.119  -0.020
+ 9783TIP3   OH235657  -4.211   0.349   0.181
+ 9783TIP3    H135658  -4.182   0.281   0.244
+ 9783TIP3    H235659  -4.128   0.387   0.150
+ 9784TIP3   OH235660  -3.197   1.161   0.340
+ 9784TIP3    H135661  -3.141   1.088   0.307
+ 9784TIP3    H235662  -3.230   1.125   0.424
+ 9785TIP3   OH235663  -3.425   0.599   0.510
+ 9785TIP3    H135664  -3.395   0.529   0.449
+ 9785TIP3    H235665  -3.342   0.613   0.559
+ 9786TIP3   OH235666  -3.092   0.027   0.560
+ 9786TIP3    H135667  -3.088  -0.071   0.562
+ 9786TIP3    H235668  -3.108   0.041   0.465
+ 9787TIP3   OH235669  -3.809  -0.157   0.263
+ 9787TIP3    H135670  -3.785  -0.076   0.214
+ 9787TIP3    H235671  -3.833  -0.217   0.191
+ 9788TIP3   OH235672  -3.020  -0.150   0.104
+ 9788TIP3    H135673  -2.970  -0.199   0.171
+ 9788TIP3    H235674  -2.951  -0.103   0.055
+ 9789TIP3   OH235675  -4.137   0.108   0.322
+ 9789TIP3    H135676  -4.076   0.064   0.383
+ 9789TIP3    H235677  -4.121   0.056   0.241
+ 9790TIP3   OH235678  -3.593   0.244   0.266
+ 9790TIP3    H135679  -3.521   0.189   0.303
+ 9790TIP3    H235680  -3.642   0.179   0.213
+ 9791TIP3   OH235681  -3.921  -0.288   0.690
+ 9791TIP3    H135682  -3.956  -0.251   0.607
+ 9791TIP3    H235683  -3.985  -0.256   0.755
+ 9792TIP3   OH235684  -3.161   0.697   0.017
+ 9792TIP3    H135685  -3.206   0.660  -0.060
+ 9792TIP3    H235686  -3.216   0.775   0.038
+ 9793TIP3   OH235687  -3.622   0.502   0.697
+ 9793TIP3    H135688  -3.697   0.560   0.721
+ 9793TIP3    H235689  -3.563   0.562   0.648
+ 9794TIP3   OH235690  -3.957  -0.078   0.477
+ 9794TIP3    H135691  -3.888  -0.023   0.518
+ 9794TIP3    H235692  -3.903  -0.120   0.406
+ 9795TIP3   OH235693  -3.827   0.688   0.772
+ 9795TIP3    H135694  -3.830   0.777   0.732
+ 9795TIP3    H235695  -3.917   0.682   0.809
+ 9796TIP3   OH235696  -2.842   0.802   0.534
+ 9796TIP3    H135697  -2.939   0.812   0.534
+ 9796TIP3    H235698  -2.815   0.890   0.503
+ 9797TIP3   OH235699  -3.017   0.997   0.196
+ 9797TIP3    H135700  -2.973   0.917   0.160
+ 9797TIP3    H235701  -2.952   1.066   0.174
+ 9798TIP3   OH235702  -2.871   0.781   0.042
+ 9798TIP3    H135703  -2.934   0.738  -0.017
+ 9798TIP3    H235704  -2.875   0.723   0.120
+ 9799TIP3   OH235705  -3.295   0.362  -0.129
+ 9799TIP3    H135706  -3.366   0.416  -0.170
+ 9799TIP3    H235707  -3.227   0.363  -0.198
+ 9800TIP3   OH235708  -3.266   0.177  -0.424
+ 9800TIP3    H135709  -3.194   0.207  -0.366
+ 9800TIP3    H235710  -3.218   0.116  -0.482
+ 9801TIP3   OH235711  -2.946   0.366  -0.027
+ 9801TIP3    H135712  -3.014   0.378   0.043
+ 9801TIP3    H235713  -2.883   0.306   0.018
+ 9802TIP3   OH235714  -2.941   0.194   0.856
+ 9802TIP3    H135715  -2.945   0.268   0.918
+ 9802TIP3    H235716  -3.010   0.221   0.792
+ 9803TIP3   OH235717  -3.784   0.435   0.156
+ 9803TIP3    H135718  -3.818   0.400   0.071
+ 9803TIP3    H235719  -3.721   0.365   0.182
+ 9804TIP3   OH235720  -3.648   0.774   0.432
+ 9804TIP3    H135721  -3.662   0.741   0.342
+ 9804TIP3    H235722  -3.568   0.725   0.459
+ 9805TIP3   OH235723  -3.730   0.317   0.505
+ 9805TIP3    H135724  -3.674   0.315   0.424
+ 9805TIP3    H235725  -3.684   0.382   0.561
+ 9806TIP3   OH235726  -3.131   0.867   0.561
+ 9806TIP3    H135727  -3.129   0.933   0.632
+ 9806TIP3    H235728  -3.151   0.784   0.607
+ 9807TIP3   OH235729  -3.642   0.747   0.988
+ 9807TIP3    H135730  -3.695   0.813   1.035
+ 9807TIP3    H235731  -3.705   0.719   0.918
+ 9808TIP3   OH235732  -3.046   0.308  -0.284
+ 9808TIP3    H135733  -3.002   0.332  -0.200
+ 9808TIP3    H235734  -2.991   0.356  -0.350
+ 9809TIP3   OH235735  -3.954   0.380   0.905
+ 9809TIP3    H135736  -3.948   0.441   0.981
+ 9809TIP3    H235737  -4.050   0.378   0.890
+ 9810TIP3   OH235738  -3.297   0.963   0.078
+ 9810TIP3    H135739  -3.258   0.993   0.161
+ 9810TIP3    H235740  -3.354   1.037   0.052
+ 9811TIP3   OH235741  -3.835   0.963   1.072
+ 9811TIP3    H135742  -3.841   0.968   0.975
+ 9811TIP3    H235743  -3.927   0.944   1.098
+ 9812TIP3   OH235744  -2.696  -0.522  -0.349
+ 9812TIP3    H135745  -2.764  -0.532  -0.279
+ 9812TIP3    H235746  -2.642  -0.451  -0.314
+ 9813TIP3   OH235747  -3.895   0.313  -0.095
+ 9813TIP3    H135748  -3.922   0.397  -0.139
+ 9813TIP3    H235749  -3.973   0.258  -0.115
+ 9814TIP3   OH235750  -4.267   0.591   0.762
+ 9814TIP3    H135751  -4.286   0.558   0.672
+ 9814TIP3    H235752  -4.306   0.520   0.815
+ 9815TIP3   OH235753  -4.284   0.866   0.463
+ 9815TIP3    H135754  -4.197   0.826   0.476
+ 9815TIP3    H235755  -4.296   0.920   0.541
+ 9816TIP3   OH235756  -2.450   0.924   1.041
+ 9816TIP3    H135757  -2.466   0.829   1.027
+ 9816TIP3    H235758  -2.533   0.952   1.083
+ 9817TIP3   OH235759  -3.379   0.852   0.931
+ 9817TIP3    H135760  -3.372   0.934   0.983
+ 9817TIP3    H235761  -3.469   0.821   0.953
+ 9818TIP3   OH235762  -3.359   1.243  -0.063
+ 9818TIP3    H135763  -3.354   1.232  -0.160
+ 9818TIP3    H235764  -3.333   1.335  -0.049
+ 9819TIP3   OH235765  -3.984   1.145   0.092
+ 9819TIP3    H135766  -3.962   1.100   0.175
+ 9819TIP3    H235767  -4.052   1.083   0.058
+ 9820TIP3   OH235768  -3.014   1.172  -0.363
+ 9820TIP3    H135769  -2.957   1.108  -0.410
+ 9820TIP3    H235770  -3.020   1.131  -0.275
+ 9821TIP3   OH235771  -3.079   1.126  -0.072
+ 9821TIP3    H135772  -3.176   1.127  -0.063
+ 9821TIP3    H235773  -3.060   1.047  -0.019
+ 9822TIP3   OH235774  -2.767   0.062   1.085
+ 9822TIP3    H135775  -2.814   0.102   1.010
+ 9822TIP3    H235776  -2.770  -0.031   1.059
+ 9823TIP3   OH235777  -4.074   0.732   0.912
+ 9823TIP3    H135778  -4.042   0.671   0.981
+ 9823TIP3    H235779  -4.148   0.682   0.870
+ 9824TIP3   OH235780  -3.730  -0.373   0.482
+ 9824TIP3    H135781  -3.779  -0.437   0.429
+ 9824TIP3    H235782  -3.784  -0.362   0.561
+ 9825TIP3   OH235783  -3.309  -0.458   0.894
+ 9825TIP3    H135784  -3.255  -0.535   0.918
+ 9825TIP3    H235785  -3.394  -0.498   0.867
+ 9826TIP3   OH235786  -2.945  -0.105   0.916
+ 9826TIP3    H135787  -3.021  -0.127   0.973
+ 9826TIP3    H235788  -2.973  -0.024   0.871
+ 9827TIP3   OH235789  -2.873   0.414  -0.481
+ 9827TIP3    H135790  -2.893   0.391  -0.574
+ 9827TIP3    H235791  -2.783   0.446  -0.489
+ 9828TIP3   OH235792  -3.331  -0.213  -0.425
+ 9828TIP3    H135793  -3.379  -0.228  -0.343
+ 9828TIP3    H235794  -3.369  -0.282  -0.481
+ 9829TIP3   OH235795  -3.757   0.059   0.627
+ 9829TIP3    H135796  -3.825   0.067   0.695
+ 9829TIP3    H235797  -3.755   0.148   0.586
+ 9830TIP3   OH235798  -3.769   0.068   0.108
+ 9830TIP3    H135799  -3.864   0.062   0.091
+ 9830TIP3    H235800  -3.733   0.048   0.019
+ 9831TIP3   OH235801  -3.207   0.123  -0.008
+ 9831TIP3    H135802  -3.251   0.203  -0.045
+ 9831TIP3    H235803  -3.140   0.105  -0.076
+ 9832TIP3   OH235804  -3.284   0.141   1.134
+ 9832TIP3    H135805  -3.335   0.063   1.162
+ 9832TIP3    H235806  -3.195   0.120   1.168
+ 9833TIP3   OH235807  -3.109   0.066   0.267
+ 9833TIP3    H135808  -3.145   0.120   0.195
+ 9833TIP3    H235809  -3.098  -0.019   0.220
+ 9834TIP3   OH235810  -4.025   0.074   0.809
+ 9834TIP3    H135811  -3.993   0.109   0.893
+ 9834TIP3    H235812  -4.055  -0.015   0.835
+ 9835TIP3   OH235813  -3.686  -0.169  -0.536
+ 9835TIP3    H135814  -3.721  -0.203  -0.451
+ 9835TIP3    H235815  -3.766  -0.155  -0.588
+ 9836TIP3   OH235816  -4.327  -0.176   0.173
+ 9836TIP3    H135817  -4.302  -0.193   0.266
+ 9836TIP3    H235818  -4.272  -0.239   0.126
+ 9837TIP3   OH235819  -4.212  -0.115  -0.239
+ 9837TIP3    H135820  -4.149  -0.094  -0.310
+ 9837TIP3    H235821  -4.295  -0.085  -0.279
+ 9838TIP3   OH235822  -3.198   0.226   0.720
+ 9838TIP3    H135823  -3.161   0.154   0.664
+ 9838TIP3    H235824  -3.241   0.176   0.790
+ 9839TIP3   OH235825  -3.487  -0.167   0.222
+ 9839TIP3    H135826  -3.581  -0.189   0.238
+ 9839TIP3    H235827  -3.446  -0.214   0.297
+ 9840TIP3   OH235828  -4.043  -0.055   0.080
+ 9840TIP3    H135829  -4.114  -0.044   0.017
+ 9840TIP3    H235830  -3.998  -0.135   0.045
+ 9841TIP3   OH235831  -3.672  -0.022  -0.150
+ 9841TIP3    H135832  -3.575  -0.014  -0.144
+ 9841TIP3    H235833  -3.697   0.041  -0.220
+ 9842TIP3   OH235834  -3.085  -0.249   0.518
+ 9842TIP3    H135835  -3.129  -0.278   0.599
+ 9842TIP3    H235836  -3.113  -0.319   0.457
+ 9843TIP3   OH235837  -3.824   0.100  -0.375
+ 9843TIP3    H135838  -3.882   0.072  -0.447
+ 9843TIP3    H235839  -3.743   0.123  -0.422
+ 9844TIP3   OH235840  -2.750   1.314   1.182
+ 9844TIP3    H135841  -2.727   1.360   1.099
+ 9844TIP3    H235842  -2.679   1.345   1.242
+ 9845TIP3   OH235843  -3.952   0.576   1.125
+ 9845TIP3    H135844  -3.890   0.580   1.200
+ 9845TIP3    H235845  -4.037   0.586   1.173
+ 9846TIP3   OH235846  -3.381   0.082   0.403
+ 9846TIP3    H135847  -3.323   0.029   0.347
+ 9846TIP3    H235848  -3.406   0.016   0.471
+ 9847TIP3   OH235849  -3.875  -0.285   0.014
+ 9847TIP3    H135850  -3.913  -0.372   0.028
+ 9847TIP3    H235851  -3.786  -0.309  -0.014
+ 9848TIP3   OH235852  -3.483  -0.071   0.618
+ 9848TIP3    H135853  -3.568  -0.025   0.621
+ 9848TIP3    H235854  -3.444  -0.054   0.706
+ 9849TIP3   OH235855  -3.477   0.566  -0.191
+ 9849TIP3    H135856  -3.554   0.518  -0.231
+ 9849TIP3    H235857  -3.501   0.567  -0.096
+ 9850TIP3   OH235858  -2.749   0.491   0.713
+ 9850TIP3    H135859  -2.682   0.516   0.647
+ 9850TIP3    H235860  -2.820   0.458   0.656
+ 9851TIP3   OH235861  -3.062  -0.151  -0.412
+ 9851TIP3    H135862  -3.161  -0.157  -0.414
+ 9851TIP3    H235863  -3.046  -0.079  -0.348
+ 9852TIP3   OH235864  -3.299   0.565   0.944
+ 9852TIP3    H135865  -3.337   0.527   1.024
+ 9852TIP3    H235866  -3.340   0.653   0.942
+ 9853TIP3   OH235867  -2.996   0.031  -0.204
+ 9853TIP3    H135868  -2.908   0.011  -0.168
+ 9853TIP3    H235869  -2.980   0.115  -0.252
+ 9854TIP3   OH235870  -3.972   0.496   0.384
+ 9854TIP3    H135871  -3.912   0.487   0.307
+ 9854TIP3    H235872  -3.959   0.411   0.429
+ 9855TIP3   OH235873  -3.237   0.697  -0.295
+ 9855TIP3    H135874  -3.263   0.782  -0.254
+ 9855TIP3    H235875  -3.314   0.641  -0.271
+ 9856TIP3   OH235876  -4.242   0.347   0.950
+ 9856TIP3    H135877  -4.230   0.279   1.018
+ 9856TIP3    H235878  -4.287   0.296   0.879
+ 9857TIP3   OH235879  -3.540   0.279   1.120
+ 9857TIP3    H135880  -3.578   0.252   1.034
+ 9857TIP3    H235881  -3.448   0.250   1.108
+ 9858TIP3   OH235882  -3.079   0.829   0.900
+ 9858TIP3    H135883  -3.173   0.823   0.874
+ 9858TIP3    H235884  -3.088   0.853   0.994
+ 9859TIP3   OH235885  -2.532   0.643   1.015
+ 9859TIP3    H135886  -2.594   0.623   0.944
+ 9859TIP3    H235887  -2.450   0.621   0.965
+ 9860TIP3   OH235888  -2.704   0.891  -0.235
+ 9860TIP3    H135889  -2.741   0.812  -0.193
+ 9860TIP3    H235890  -2.648   0.856  -0.305
+ 9861TIP3   OH235891  -2.978   0.414   0.524
+ 9861TIP3    H135892  -3.070   0.398   0.495
+ 9861TIP3    H235893  -2.933   0.340   0.478
+ 9862TIP3   OH235894  -3.730   0.833   0.132
+ 9862TIP3    H135895  -3.690   0.916   0.101
+ 9862TIP3    H235896  -3.816   0.835   0.088
+ 9863TIP3   OH235897  -4.150   0.334  -0.407
+ 9863TIP3    H135898  -4.078   0.386  -0.364
+ 9863TIP3    H235899  -4.222   0.394  -0.384
+ 9864TIP3   OH235900  -3.541   0.601   0.088
+ 9864TIP3    H135901  -3.578   0.690   0.096
+ 9864TIP3    H235902  -3.614   0.546   0.122
+ 9865TIP3   OH235903  -3.527   1.025   0.718
+ 9865TIP3    H135904  -3.471   1.098   0.687
+ 9865TIP3    H235905  -3.464   0.975   0.773
+ 9866TIP3   OH235906  -3.681   1.120   0.041
+ 9866TIP3    H135907  -3.777   1.127   0.047
+ 9866TIP3    H235908  -3.652   1.210   0.063
+ 9867TIP3   OH235909  -3.170   0.601   0.685
+ 9867TIP3    H135910  -3.211   0.564   0.765
+ 9867TIP3    H235911  -3.110   0.530   0.657
+ 9868TIP3   OH235912  -2.964   0.738  -0.426
+ 9868TIP3    H135913  -2.922   0.689  -0.354
+ 9868TIP3    H235914  -3.058   0.720  -0.407
+ 9869TIP3   OH235915  -2.890   1.056   0.913
+ 9869TIP3    H135916  -2.966   1.013   0.868
+ 9869TIP3    H235917  -2.877   1.136   0.859
+ 9870TIP3   OH235918  -4.110  -0.188   0.900
+ 9870TIP3    H135919  -4.185  -0.166   0.841
+ 9870TIP3    H235920  -4.122  -0.283   0.920
+ 9871TIP3   OH235921  -2.818   0.589  -0.196
+ 9871TIP3    H135922  -2.875   0.522  -0.155
+ 9871TIP3    H235923  -2.740   0.580  -0.142
+ 9872TIP3   OH235924  -4.129   0.974   0.726
+ 9872TIP3    H135925  -4.111   0.879   0.731
+ 9872TIP3    H235926  -4.093   1.003   0.811
+ 9873TIP3   OH235927  -3.542   0.834  -0.576
+ 9873TIP3    H135928  -3.518   0.752  -0.621
+ 9873TIP3    H235929  -3.591   0.799  -0.498
+ 9874TIP3   OH235930  -3.648   0.788  -0.325
+ 9874TIP3    H135931  -3.645   0.727  -0.250
+ 9874TIP3    H235932  -3.667   0.874  -0.283
+ 9875TIP3   OH235933  -3.218  -0.192   0.779
+ 9875TIP3    H135934  -3.131  -0.211   0.818
+ 9875TIP3    H235935  -3.261  -0.280   0.785
+ 9876TIP3   OH235936  -3.136  -0.279  -0.134
+ 9876TIP3    H135937  -3.121  -0.224  -0.213
+ 9876TIP3    H235938  -3.095  -0.227  -0.063
+ 9877TIP3   OH235939  -3.356   0.970  -0.237
+ 9877TIP3    H135940  -3.451   0.990  -0.232
+ 9877TIP3    H235941  -3.336   0.990  -0.330
+ 9878TIP3   OH235942  -3.405  -0.079  -0.043
+ 9878TIP3    H135943  -3.329  -0.019  -0.028
+ 9878TIP3    H235944  -3.434  -0.098   0.048
+ 9879TIP3   OH235945  -3.386   0.007   0.887
+ 9879TIP3    H135946  -3.350   0.063   0.957
+ 9879TIP3    H235947  -3.318  -0.063   0.875
+ 9880TIP3   OH235948  -3.341  -0.379   0.047
+ 9880TIP3    H135949  -3.358  -0.318   0.121
+ 9880TIP3    H235950  -3.269  -0.335  -0.001
+ 9881TIP3   OH235951  -3.638   1.061  -0.243
+ 9881TIP3    H135952  -3.652   1.142  -0.296
+ 9881TIP3    H235953  -3.657   1.091  -0.153
+ 9882TIP3   OH235954  -3.773  -0.275  -0.295
+ 9882TIP3    H135955  -3.768  -0.198  -0.236
+ 9882TIP3    H235956  -3.694  -0.325  -0.266
+ 9883TIP3   OH235957  -2.874   0.188   0.380
+ 9883TIP3    H135958  -2.954   0.147   0.340
+ 9883TIP3    H235959  -2.824   0.109   0.405
+ 9884TIP3   OH235960  -4.114   0.025  -0.472
+ 9884TIP3    H135961  -4.103   0.120  -0.452
+ 9884TIP3    H235962  -4.195   0.021  -0.523
+ 9885TIP3   OH235963  -2.777   1.086   0.519
+ 9885TIP3    H135964  -2.804   1.158   0.459
+ 9885TIP3    H235965  -2.681   1.103   0.523
+ 9886TIP3   OH235966  -4.041  -0.472   0.405
+ 9886TIP3    H135967  -4.054  -0.477   0.308
+ 9886TIP3    H235968  -4.071  -0.561   0.434
+ 9887TIP3   OH235969  -4.130   0.914   0.035
+ 9887TIP3    H135970  -4.226   0.905   0.024
+ 9887TIP3    H235971  -4.098   0.881  -0.050
+ 9888TIP3   OH235972  -4.215   1.166   1.148
+ 9888TIP3    H135973  -4.151   1.166   1.222
+ 9888TIP3    H235974  -4.214   1.071   1.131
+ 9889TIP3   OH235975  -3.727   1.079   1.321
+ 9889TIP3    H135976  -3.657   1.014   1.341
+ 9889TIP3    H235977  -3.750   1.053   1.231
+ 9890TIP3   OH235978  -3.323   1.002  -0.521
+ 9890TIP3    H135979  -3.400   0.942  -0.536
+ 9890TIP3    H235980  -3.253   0.951  -0.564
+ 9891TIP3   OH235981  -3.061   0.892   1.173
+ 9891TIP3    H135982  -3.116   0.824   1.216
+ 9891TIP3    H235983  -3.009   0.926   1.248
+ 9892TIP3   OH235984  -2.825   1.006  -0.536
+ 9892TIP3    H135985  -2.823   0.916  -0.501
+ 9892TIP3    H235986  -2.760   1.001  -0.607
+ 9893TIP3   OH235987  -4.199   0.572   1.211
+ 9893TIP3    H135988  -4.189   0.482   1.176
+ 9893TIP3    H235989  -4.285   0.598   1.174
+ 9894TIP3   OH235990  -3.777   0.571  -0.562
+ 9894TIP3    H135991  -3.776   0.548  -0.468
+ 9894TIP3    H235992  -3.684   0.567  -0.586
+ 9895TIP3   OH235993  -3.539   0.556   1.188
+ 9895TIP3    H135994  -3.569   0.588   1.102
+ 9895TIP3    H235995  -3.530   0.460   1.173
+ 9896TIP3   OH235996  -3.252   0.710  -0.582
+ 9896TIP3    H135997  -3.264   0.704  -0.485
+ 9896TIP3    H235998  -3.260   0.615  -0.605
+ 9897TIP3   OH235999  -2.952   0.568   0.943
+ 9897TIP3    H136000  -2.906   0.565   0.857
+ 9897TIP3    H236001  -3.041   0.600   0.917
+ 9898TIP3   OH236002  -4.135   0.241   1.188
+ 9898TIP3    H136003  -4.054   0.187   1.175
+ 9898TIP3    H236004  -4.122   0.271   1.279
+ 9899TIP3   OH236005  -3.662   0.386  -0.307
+ 9899TIP3    H136006  -3.738   0.349  -0.259
+ 9899TIP3    H236007  -3.645   0.317  -0.373
+ 9900TIP3   OH236008  -3.751   0.166   0.922
+ 9900TIP3    H136009  -3.806   0.246   0.931
+ 9900TIP3    H236010  -3.689   0.192   0.851
+ 9901TIP3   OH236011  -3.577   0.184  -0.487
+ 9901TIP3    H136012  -3.579   0.197  -0.583
+ 9901TIP3    H236013  -3.481   0.184  -0.469
+ 9902TIP3   OH236014  -3.218   0.435   1.272
+ 9902TIP3    H136015  -3.129   0.414   1.239
+ 9902TIP3    H236016  -3.246   0.349   1.305
+ 9903TIP3   OH236017  -3.688  -0.107   1.033
+ 9903TIP3    H136018  -3.680  -0.174   0.962
+ 9903TIP3    H236019  -3.704  -0.027   0.980
+ 9904TIP3   OH236020  -3.658  -0.254   0.778
+ 9904TIP3    H136021  -3.605  -0.217   0.706
+ 9904TIP3    H236022  -3.747  -0.259   0.737
+ 9905TIP3   OH236023  -3.494   0.289   0.819
+ 9905TIP3    H136024  -3.417   0.275   0.761
+ 9905TIP3    H236025  -3.532   0.371   0.783
+ 9906TIP3   OH236026  -3.040   0.061   1.305
+ 9906TIP3    H136027  -3.015  -0.030   1.285
+ 9906TIP3    H236028  -2.954   0.105   1.300
+ 9907TIP3   OH236029  -2.954   0.350   1.130
+ 9907TIP3    H136030  -2.970   0.424   1.068
+ 9907TIP3    H236031  -2.860   0.330   1.110
+ 9908TIP3   OH236032  -3.878   0.080   1.210
+ 9908TIP3    H136033  -3.928  -0.004   1.207
+ 9908TIP3    H236034  -3.799   0.056   1.159
+ 9909TIP3   OH236035  -3.578  -0.529   0.812
+ 9909TIP3    H136036  -3.598  -0.435   0.790
+ 9909TIP3    H236037  -3.640  -0.575   0.752
+ 9910TIP3   OH236038  -3.454  -0.075   1.203
+ 9910TIP3    H136039  -3.512  -0.089   1.280
+ 9910TIP3    H236040  -3.520  -0.089   1.131
+ 9911TIP3   OH236041  -3.184  -0.162   1.086
+ 9911TIP3    H136042  -3.280  -0.166   1.096
+ 9911TIP3    H236043  -3.155  -0.227   1.152
+ 9912TIP3   OH236044  -3.079  -0.295   1.342
+ 9912TIP3    H136045  -3.044  -0.374   1.294
+ 9912TIP3    H236046  -3.007  -0.275   1.402
+ 9913TIP3   OH236047  -4.004  -0.174   1.195
+ 9913TIP3    H136048  -4.016  -0.243   1.127
+ 9913TIP3    H236049  -4.033  -0.220   1.276
+ 9914TIP3   OH236050  -3.590  -0.572   1.100
+ 9914TIP3    H136051  -3.531  -0.650   1.098
+ 9914TIP3    H236052  -3.599  -0.557   1.003
+ 9915TIP3   OH236053  -3.480  -0.384   1.302
+ 9915TIP3    H136054  -3.497  -0.442   1.224
+ 9915TIP3    H236055  -3.554  -0.321   1.292
+ 9916TIP3   OH236056  -3.601   1.327  -0.369
+ 9916TIP3    H136057  -3.504   1.321  -0.369
+ 9916TIP3    H236058  -3.619   1.347  -0.462
+ 9917TIP3   OH236059  -4.184   0.807  -0.463
+ 9917TIP3    H136060  -4.141   0.783  -0.379
+ 9917TIP3    H236061  -4.219   0.720  -0.488
+ 9918TIP3   OH236062  -4.281   1.086   0.249
+ 9918TIP3    H136063  -4.274   0.992   0.274
+ 9918TIP3    H236064  -4.242   1.128   0.326
+ 9919TIP3   OH236065  -2.507   1.190   0.549
+ 9919TIP3    H136066  -2.491   1.202   0.643
+ 9919TIP3    H236067  -2.428   1.232   0.511
+ 9920TIP3   OH236068  -2.542   1.135   0.840
+ 9920TIP3    H136069  -2.574   1.055   0.797
+ 9920TIP3    H236070  -2.474   1.096   0.899
+ 9921TIP3   OH236071  -2.751   0.722   1.247
+ 9921TIP3    H136072  -2.815   0.689   1.314
+ 9921TIP3    H236073  -2.681   0.758   1.304
+ 9922TIP3   OH236074  -2.539   0.601   0.537
+ 9922TIP3    H136075  -2.468   0.575   0.478
+ 9922TIP3    H236076  -2.549   0.695   0.512
+ 9923TIP3   OH236077  -2.726   0.852   0.811
+ 9923TIP3    H136078  -2.770   0.938   0.810
+ 9923TIP3    H236079  -2.736   0.825   0.718
+ 9924TIP3   OH236080  -2.677   0.070  -0.465
+ 9924TIP3    H136081  -2.658   0.120  -0.545
+ 9924TIP3    H236082  -2.687  -0.020  -0.500
+ 9925TIP3   OH236083  -2.749   0.198   0.091
+ 9925TIP3    H136084  -2.734   0.103   0.091
+ 9925TIP3    H236085  -2.760   0.217   0.185
+ 9926TIP3   OH236086  -4.256   0.437   0.519
+ 9926TIP3    H136087  -4.226   0.458   0.430
+ 9926TIP3    H236088  -4.176   0.394   0.556
+ 9927TIP3   OH236089  -2.673   0.370   1.057
+ 9927TIP3    H136090  -2.612   0.294   1.058
+ 9927TIP3    H236091  -2.615   0.441   1.027
+ 9928TIP3   OH236092  -2.513   0.153   1.163
+ 9928TIP3    H136093  -2.573   0.098   1.111
+ 9928TIP3    H236094  -2.424   0.118   1.143
+ 9929TIP3   OH236095  -2.724  -0.200  -0.536
+ 9929TIP3    H136096  -2.690  -0.271  -0.481
+ 9929TIP3    H236097  -2.803  -0.241  -0.575
+ 9930TIP3   OH236098  -2.757  -0.071  -0.073
+ 9930TIP3    H136099  -2.738  -0.165  -0.088
+ 9930TIP3    H236100  -2.683  -0.025  -0.115
+ 9931TIP3   OH236101  -2.680   0.067   0.746
+ 9931TIP3    H136102  -2.772   0.086   0.771
+ 9931TIP3    H236103  -2.645   0.153   0.720
+ 9932TIP3   OH236104  -4.282  -0.067   1.148
+ 9932TIP3    H136105  -4.201  -0.105   1.112
+ 9932TIP3    H236106  -4.345  -0.141   1.144
+ 9933TIP3   OH236107  -4.194  -0.215   0.444
+ 9933TIP3    H136108  -4.159  -0.305   0.439
+ 9933TIP3    H236109  -4.113  -0.162   0.457
+ 9934TIP3   OH236110  -4.335   0.049   0.526
+ 9934TIP3    H136111  -4.295  -0.009   0.460
+ 9934TIP3    H236112  -4.309   0.136   0.494
+ 9935TIP3   OH236113  -2.539  -0.312   1.121
+ 9935TIP3    H136114  -2.628  -0.277   1.117
+ 9935TIP3    H236115  -2.527  -0.350   1.033
+ 9936TIP3   OH236116  -4.314  -0.343  -0.124
+ 9936TIP3    H136117  -4.399  -0.311  -0.159
+ 9936TIP3    H236118  -4.255  -0.271  -0.154
+ 9937TIP3   OH236119  -2.827   1.210   0.128
+ 9937TIP3    H136120  -2.779   1.178   0.050
+ 9937TIP3    H236121  -2.753   1.243   0.182
+ 9938TIP3   OH236122  -4.292  -0.442   0.716
+ 9938TIP3    H136123  -4.363  -0.451   0.785
+ 9938TIP3    H236124  -4.336  -0.399   0.641
+ 9939TIP3   OH236125  -4.120   0.910   1.183
+ 9939TIP3    H136126  -4.165   0.845   1.128
+ 9939TIP3    H236127  -4.136   0.874   1.273
+ 9940TIP3   OH236128  -3.802   0.977   0.777
+ 9940TIP3    H136129  -3.833   1.059   0.735
+ 9940TIP3    H236130  -3.707   0.983   0.756
+ 9941TIP3   OH236131  -3.351   1.103   1.073
+ 9941TIP3    H136132  -3.339   1.089   1.168
+ 9941TIP3    H236133  -3.269   1.150   1.049
+ 9942TIP3   OH236134  -3.123   1.249   0.997
+ 9942TIP3    H136135  -3.055   1.185   0.973
+ 9942TIP3    H236136  -3.091   1.280   1.084
+ 9943TIP3   OH236137  -4.068   1.282   0.798
+ 9943TIP3    H136138  -4.137   1.329   0.748
+ 9943TIP3    H236139  -4.103   1.286   0.887
+ 9944TIP3   OH236140  -3.816   1.248   0.664
+ 9944TIP3    H136141  -3.904   1.264   0.703
+ 9944TIP3    H236142  -3.816   1.312   0.590
+ 9945TIP3   OH236143  -3.340   1.245   0.616
+ 9945TIP3    H136144  -3.381   1.289   0.539
+ 9945TIP3    H236145  -3.333   1.320   0.679
+ 9946TIP3   OH236146  -3.108   1.116   0.711
+ 9946TIP3    H136147  -3.192   1.151   0.676
+ 9946TIP3    H236148  -3.051   1.195   0.706
+ 9947TIP3   OH236149  -2.857   1.291   0.728
+ 9947TIP3    H136150  -2.859   1.385   0.704
+ 9947TIP3    H236151  -2.826   1.251   0.645
+ 9948TIP3   OH236152  -4.123   1.156   0.496
+ 9948TIP3    H136153  -4.132   1.108   0.581
+ 9948TIP3    H236154  -4.050   1.106   0.454
+ 9949TIP3   OH236155  -3.912   1.031   0.352
+ 9949TIP3    H136156  -3.927   0.936   0.369
+ 9949TIP3    H236157  -3.819   1.041   0.378
+ 9950TIP3   OH236158  -3.625   1.072   0.431
+ 9950TIP3    H136159  -3.612   0.979   0.405
+ 9950TIP3    H236160  -3.625   1.064   0.527
+ 9951TIP3   OH236161  -3.324  -0.364   0.354
+ 9951TIP3    H136162  -3.381  -0.437   0.383
+ 9951TIP3    H236163  -3.250  -0.412   0.313
+ 9952TIP3   OH236164  -4.108  -0.484   0.116
+ 9952TIP3    H136165  -4.179  -0.516   0.058
+ 9952TIP3    H236166  -4.042  -0.555   0.106
+ 9953TIP3   OH236167  -4.183  -0.522  -0.306
+ 9953TIP3    H136168  -4.129  -0.456  -0.353
+ 9953TIP3    H236169  -4.232  -0.466  -0.243
+ 9954TIP3   OH236170  -3.624  -0.449   0.091
+ 9954TIP3    H136171  -3.527  -0.452   0.083
+ 9954TIP3    H236172  -3.635  -0.504   0.171
+ 9955TIP3   OH236173  -3.051  -0.494   0.260
+ 9955TIP3    H136174  -3.035  -0.514   0.168
+ 9955TIP3    H236175  -3.052  -0.585   0.296
+ 9956TIP3   OH236176  -2.908  -0.465  -0.152
+ 9956TIP3    H136177  -2.995  -0.424  -0.164
+ 9956TIP3    H236178  -2.932  -0.553  -0.118
+ 9957TIP3   OH236179  -4.184   1.085  -0.210
+ 9957TIP3    H136180  -4.254   1.063  -0.272
+ 9957TIP3    H236181  -4.188   1.181  -0.205
+ 9958TIP3   OH236182  -4.006  -0.336  -0.448
+ 9958TIP3    H136183  -3.947  -0.391  -0.501
+ 9958TIP3    H236184  -3.944  -0.304  -0.379
+ 9959TIP3   OH236185  -3.496  -0.321  -0.195
+ 9959TIP3    H136186  -3.470  -0.383  -0.125
+ 9959TIP3    H236187  -3.479  -0.237  -0.149
+ 9960TIP3   OH236188  -3.285   1.264  -0.370
+ 9960TIP3    H136189  -3.189   1.250  -0.376
+ 9960TIP3    H236190  -3.316   1.193  -0.428
+ 9961TIP3   OH236191  -2.645   1.158  -0.116
+ 9961TIP3    H136192  -2.666   1.071  -0.155
+ 9961TIP3    H236193  -2.634   1.213  -0.195
+ 9962TIP3   OH236194  -4.080  -0.443   1.071
+ 9962TIP3    H136195  -4.123  -0.521   1.109
+ 9962TIP3    H236196  -3.987  -0.459   1.094
+ 9963TIP3   OH236197  -3.839  -0.504   1.252
+ 9963TIP3    H136198  -3.759  -0.536   1.206
+ 9963TIP3    H236199  -3.877  -0.587   1.286
+ 9964TIP3   OH236200  -4.007   1.183  -0.498
+ 9964TIP3    H136201  -4.044   1.191  -0.408
+ 9964TIP3    H236202  -3.941   1.113  -0.486
+ 9965TIP3   OH236203  -3.013  -0.562   1.268
+ 9965TIP3    H136204  -3.008  -0.629   1.339
+ 9965TIP3    H236205  -2.925  -0.574   1.225
+ 9966TIP3   OH236206  -2.707   1.032   1.125
+ 9966TIP3    H136207  -2.778   1.044   1.060
+ 9966TIP3    H236208  -2.699   1.124   1.158
+ 9967TIP3   OH236209  -1.963   0.965   1.033
+ 9967TIP3    H136210  -1.948   0.906   0.958
+ 9967TIP3    H236211  -2.033   0.918   1.082
+ 9968TIP3   OH236212  -2.397   0.567   0.793
+ 9968TIP3    H136213  -2.440   0.563   0.706
+ 9968TIP3    H236214  -2.356   0.480   0.801
+ 9969TIP3   OH236215  -2.413   0.869   0.491
+ 9969TIP3    H136216  -2.322   0.846   0.471
+ 9969TIP3    H236217  -2.402   0.941   0.555
+ 9970TIP3   OH236218  -2.245   0.961   0.731
+ 9970TIP3    H136219  -2.203   0.875   0.739
+ 9970TIP3    H236220  -2.207   1.010   0.805
+ 9971TIP3   OH236221  -2.317   1.175   1.148
+ 9971TIP3    H136222  -2.252   1.146   1.215
+ 9971TIP3    H236223  -2.341   1.087   1.112
+ 9972TIP3   OH236224  -1.885   1.100   1.311
+ 9972TIP3    H136225  -1.814   1.056   1.360
+ 9972TIP3    H236226  -1.892   1.048   1.230
+ 9973TIP3   OH236227  -2.330   0.522   1.250
+ 9973TIP3    H136228  -2.274   0.451   1.213
+ 9973TIP3    H236229  -2.374   0.553   1.171
+ 9974TIP3   OH236230  -2.436   1.273   0.068
+ 9974TIP3    H136231  -2.494   1.232   0.002
+ 9974TIP3    H236232  -2.412   1.196   0.123
+ 9975TIP3   OH236233  -2.383   1.065   0.241
+ 9975TIP3    H136234  -2.404   0.973   0.262
+ 9975TIP3    H236235  -2.340   1.095   0.322
+ 9976TIP3   OH236236  -2.201   0.900   1.174
+ 9976TIP3    H136237  -2.283   0.875   1.128
+ 9976TIP3    H236238  -2.195   0.835   1.246
+ 9977TIP3   OH236239  -2.166   1.259   0.780
+ 9977TIP3    H136240  -2.216   1.333   0.743
+ 9977TIP3    H236241  -2.177   1.273   0.874
+ 9978TIP3   OH236242  -2.196   1.132   0.486
+ 9978TIP3    H136243  -2.201   1.104   0.580
+ 9978TIP3    H236244  -2.116   1.086   0.457
+ 9979TIP3   OH236245   1.218  -0.073   0.814
+ 9979TIP3    H136246   1.133  -0.028   0.804
+ 9979TIP3    H236247   1.219  -0.100   0.905
+ 9980TIP3   OH236248   1.053   0.388   1.071
+ 9980TIP3    H136249   1.115   0.318   1.084
+ 9980TIP3    H236250   1.102   0.467   1.093
+ 9981TIP3   OH236251   1.283   0.107   1.082
+ 9981TIP3    H136252   1.190   0.122   1.103
+ 9981TIP3    H236253   1.312   0.055   1.157
+ 9982TIP3   OH236254  -0.225   1.197  -0.545
+ 9982TIP3    H136255  -0.273   1.210  -0.464
+ 9982TIP3    H236256  -0.165   1.125  -0.525
+ 9983TIP3   OH236257   2.810   0.810   0.535
+ 9983TIP3    H136258   2.717   0.832   0.526
+ 9983TIP3    H236259   2.849   0.887   0.490
+ 9984TIP3   OH236260   2.935   0.643   0.865
+ 9984TIP3    H136261   2.944   0.591   0.784
+ 9984TIP3    H236262   2.950   0.734   0.831
+ 9985TIP3   OH236263   1.972   0.314   0.530
+ 9985TIP3    H136264   1.946   0.317   0.437
+ 9985TIP3    H236265   1.914   0.377   0.572
+ 9986TIP3   OH236266   3.214   0.932   1.054
+ 9986TIP3    H136267   3.205   0.838   1.031
+ 9986TIP3    H236268   3.122   0.954   1.079
+ 9987TIP3   OH236269   1.631   0.106   0.785
+ 9987TIP3    H136270   1.633   0.131   0.876
+ 9987TIP3    H236271   1.596   0.016   0.782
+ 9988TIP3   OH236272   2.027  -0.161  -0.484
+ 9988TIP3    H136273   1.999  -0.248  -0.460
+ 9988TIP3    H236274   1.972  -0.140  -0.561
+ 9989TIP3   OH236275   1.616  -0.064   0.104
+ 9989TIP3    H136276   1.532  -0.034   0.068
+ 9989TIP3    H236277   1.641  -0.133   0.044
+ 9990TIP3   OH236278   2.910   1.311   1.181
+ 9990TIP3    H136279   2.927   1.360   1.099
+ 9990TIP3    H236280   2.978   1.347   1.240
+ 9991TIP3   OH236281   3.163   0.630   1.044
+ 9991TIP3    H136282   3.071   0.651   1.020
+ 9991TIP3    H236283   3.201   0.613   0.955
+ 9992TIP3   OH236284   2.946   0.881  -0.225
+ 9992TIP3    H136285   2.928   0.798  -0.179
+ 9992TIP3    H236286   2.997   0.853  -0.301
+ 9993TIP3   OH236287   2.756   1.044   0.901
+ 9993TIP3    H136288   2.673   1.021   0.856
+ 9993TIP3    H236289   2.773   1.133   0.865
+ 9994TIP3   OH236290   3.153   1.129  -0.378
+ 9994TIP3    H136291   3.216   1.190  -0.418
+ 9994TIP3    H236292   3.069   1.174  -0.392
+ 9995TIP3   OH236293   2.872   1.085   0.509
+ 9995TIP3    H136294   2.848   1.160   0.451
+ 9995TIP3    H236295   2.966   1.106   0.524
+ 9996TIP3   OH236296   2.602   0.896   1.206
+ 9996TIP3    H136297   2.564   0.811   1.227
+ 9996TIP3    H236298   2.661   0.912   1.282
+ 9997TIP3   OH236299   2.618   0.554   0.900
+ 9997TIP3    H136300   2.708   0.588   0.892
+ 9997TIP3    H236301   2.569   0.627   0.939
+ 9998TIP3   OH236302   2.710   0.363   1.108
+ 9998TIP3    H136303   2.661   0.410   1.038
+ 9998TIP3    H236304   2.799   0.358   1.069
+ 9999TIP3   OH236305   3.144   1.198   0.552
+ 9999TIP3    H136306   3.158   1.197   0.647
+ 9999TIP3    H236307   3.230   1.226   0.519
+ 1000TIP3   OH236308   3.129   1.142   0.839
+ 1000TIP3    H136309   3.078   1.067   0.803
+ 1000TIP3    H236310   3.186   1.095   0.902
+ 1000TIP3   OH236311   2.930   0.684   1.271
+ 1000TIP3    H136312   2.842   0.696   1.309
+ 1000TIP3    H236313   2.976   0.766   1.298
+ 1000TIP3   OH236314   3.108   0.612   0.554
+ 1000TIP3    H136315   3.171   0.579   0.489
+ 1000TIP3    H236316   3.091   0.701   0.521
+ 1000TIP3   OH236317   2.957   0.904   0.766
+ 1000TIP3    H136318   2.884   0.950   0.813
+ 1000TIP3    H236319   2.914   0.880   0.682
+ 1000TIP3   OH236320   2.977   0.380   1.044
+ 1000TIP3    H136321   3.058   0.328   1.031
+ 1000TIP3    H236322   3.007   0.467   1.012
+ 1000TIP3   OH236323   3.175   0.211   1.134
+ 1000TIP3    H136324   3.086   0.179   1.148
+ 1000TIP3    H236325   3.228   0.128   1.138
+ 1000TIP3   OH236326   3.188  -0.516   1.293
+ 1000TIP3    H136327   3.206  -0.594   1.237
+ 1000TIP3    H236328   3.186  -0.447   1.225
+ 1000TIP3   OH236329   1.322   0.090   0.474
+ 1000TIP3    H136330   1.343   0.013   0.419
+ 1000TIP3    H236331   1.393   0.088   0.538
+ 1000TIP3   OH236332   3.136  -0.327   1.078
+ 1000TIP3    H136333   3.044  -0.322   1.106
+ 1000TIP3    H236334   3.131  -0.405   1.019
+ 1000TIP3   OH236335   2.812   1.172   0.119
+ 1000TIP3    H136336   2.872   1.142   0.050
+ 1000TIP3    H236337   2.867   1.224   0.177
+ 1001TIP3   OH236338   2.496   1.224   0.995
+ 1001TIP3    H136339   2.562   1.156   0.976
+ 1001TIP3    H236340   2.521   1.252   1.084
+ 1001TIP3   OH236341   1.564   1.273   0.786
+ 1001TIP3    H136342   1.481   1.315   0.759
+ 1001TIP3    H236343   1.555   1.278   0.883
+ 1001TIP3   OH236344   1.856   1.239   0.690
+ 1001TIP3    H136345   1.763   1.223   0.716
+ 1001TIP3    H236346   1.848   1.267   0.598
+ 1001TIP3   OH236347   2.328   1.242   0.601
+ 1001TIP3    H136348   2.291   1.297   0.531
+ 1001TIP3    H236349   2.319   1.301   0.678
+ 1001TIP3   OH236350   2.546   1.089   0.705
+ 1001TIP3    H136351   2.462   1.120   0.666
+ 1001TIP3    H236352   2.600   1.168   0.689
+ 1001TIP3   OH236353   2.801   1.286   0.731
+ 1001TIP3    H136354   2.787   1.379   0.706
+ 1001TIP3    H236355   2.826   1.249   0.644
+ 1001TIP3   OH236356   3.011   1.161  -0.105
+ 1001TIP3    H136357   2.994   1.073  -0.145
+ 1001TIP3    H236358   3.013   1.217  -0.184
+ 1001TIP3   OH236359   2.955   1.034   1.130
+ 1001TIP3    H136360   2.880   1.015   1.072
+ 1001TIP3    H236361   2.941   1.129   1.148
+ 1001TIP3   OH236362   4.212   0.315   0.456
+ 1001TIP3    H136363   4.291   0.341   0.508
+ 1001TIP3    H236364   4.248   0.311   0.367
+ 1001TIP3   OH236365   3.495   0.327   0.613
+ 1001TIP3    H136366   3.492   0.244   0.662
+ 1001TIP3    H236367   3.578   0.366   0.640
+ 1002TIP3   OH236368   3.579   0.763   0.467
+ 1002TIP3    H136369   3.554   0.675   0.433
+ 1002TIP3    H236370   3.673   0.748   0.485
+ 1002TIP3   OH236371   4.120   0.600   0.520
+ 1002TIP3    H136372   4.145   0.527   0.461
+ 1002TIP3    H236373   4.205   0.621   0.560
+ 1002TIP3   OH236374   3.740  -0.175   0.273
+ 1002TIP3    H136375   3.761  -0.090   0.230
+ 1002TIP3    H236376   3.708  -0.226   0.196
+ 1002TIP3   OH236377   3.385   0.126   0.324
+ 1002TIP3    H136378   3.408   0.071   0.399
+ 1002TIP3    H236379   3.379   0.064   0.251
+ 1002TIP3   OH236380   3.944   0.241   0.268
+ 1002TIP3    H136381   4.023   0.195   0.303
+ 1002TIP3    H236382   3.903   0.168   0.218
+ 1002TIP3   OH236383   3.625  -0.280   0.681
+ 1002TIP3    H136384   3.582  -0.235   0.605
+ 1002TIP3    H236385   3.559  -0.266   0.750
+ 1002TIP3   OH236386   3.917   0.495   0.699
+ 1002TIP3    H136387   3.844   0.556   0.722
+ 1002TIP3    H236388   3.981   0.555   0.657
+ 1002TIP3   OH236389   3.560  -0.094   0.481
+ 1002TIP3    H136390   3.623  -0.029   0.515
+ 1002TIP3    H236391   3.609  -0.128   0.403
+ 1002TIP3   OH236392   3.717   0.689   0.769
+ 1002TIP3    H136393   3.712   0.780   0.735
+ 1002TIP3    H236394   3.629   0.681   0.810
+ 1002TIP3   OH236395   4.036  -0.539   0.398
+ 1002TIP3    H136396   4.012  -0.634   0.397
+ 1002TIP3    H236397   3.953  -0.500   0.432
+ 1003TIP3   OH236398   4.265   0.340  -0.143
+ 1003TIP3    H136399   4.200   0.412  -0.159
+ 1003TIP3    H236400   4.341   0.373  -0.192
+ 1003TIP3   OH236401   4.290   0.192  -0.425
+ 1003TIP3    H136402   4.367   0.195  -0.366
+ 1003TIP3    H236403   4.303   0.112  -0.476
+ 1003TIP3   OH236404   3.782   0.449   0.154
+ 1003TIP3    H136405   3.744   0.409   0.075
+ 1003TIP3    H236406   3.840   0.379   0.189
+ 1003TIP3   OH236407   3.896   0.769   0.432
+ 1003TIP3    H136408   3.888   0.734   0.342
+ 1003TIP3    H236409   3.977   0.725   0.464
+ 1003TIP3   OH236410   3.803   0.317   0.506
+ 1003TIP3    H136411   3.864   0.312   0.430
+ 1003TIP3    H236412   3.850   0.379   0.566
+ 1003TIP3   OH236413   3.904   0.751   0.987
+ 1003TIP3    H136414   3.849   0.816   1.034
+ 1003TIP3    H236415   3.842   0.721   0.918
+ 1003TIP3   OH236416   3.601   0.384   0.899
+ 1003TIP3    H136417   3.596   0.438   0.979
+ 1003TIP3    H236418   3.507   0.374   0.876
+ 1003TIP3   OH236419   4.240   0.957   0.082
+ 1003TIP3    H136420   4.299   1.006   0.141
+ 1003TIP3    H236421   4.198   1.028   0.032
+ 1003TIP3   OH236422   3.711   0.968   1.070
+ 1003TIP3    H136423   3.702   0.970   0.973
+ 1003TIP3    H236424   3.623   0.937   1.100
+ 1003TIP3   OH236425   3.261   0.579   0.788
+ 1003TIP3    H136426   3.211   0.583   0.704
+ 1003TIP3    H236427   3.279   0.482   0.794
+ 1004TIP3   OH236428   3.257   0.865   0.473
+ 1004TIP3    H136429   3.349   0.835   0.475
+ 1004TIP3    H236430   3.254   0.926   0.548
+ 1004TIP3   OH236431   4.175   0.849   0.942
+ 1004TIP3    H136432   4.178   0.940   0.974
+ 1004TIP3    H236433   4.082   0.822   0.958
+ 1004TIP3   OH236434   4.172   1.241  -0.075
+ 1004TIP3    H136435   4.206   1.232  -0.165
+ 1004TIP3    H236436   4.214   1.321  -0.041
+ 1004TIP3   OH236437   3.562   1.143   0.092
+ 1004TIP3    H136438   3.581   1.094   0.175
+ 1004TIP3    H236439   3.487   1.090   0.059
+ 1004TIP3   OH236440   3.471   0.735   0.911
+ 1004TIP3    H136441   3.504   0.683   0.987
+ 1004TIP3    H236442   3.403   0.677   0.872
+ 1004TIP3   OH236443   3.774  -0.438   0.474
+ 1004TIP3    H136444   3.684  -0.445   0.436
+ 1004TIP3    H236445   3.764  -0.356   0.524
+ 1004TIP3   OH236446   4.231  -0.486   0.910
+ 1004TIP3    H136447   4.246  -0.560   0.970
+ 1004TIP3    H236448   4.141  -0.506   0.877
+ 1004TIP3   OH236449   4.233  -0.208  -0.417
+ 1004TIP3    H136450   4.168  -0.226  -0.347
+ 1004TIP3    H236451   4.204  -0.271  -0.484
+ 1004TIP3   OH236452   3.769   0.051   0.620
+ 1004TIP3    H136453   3.704   0.061   0.692
+ 1004TIP3    H236454   3.774   0.141   0.583
+ 1004TIP3   OH236455   3.784   0.044   0.101
+ 1004TIP3    H136456   3.689   0.034   0.086
+ 1004TIP3    H236457   3.819   0.021   0.012
+ 1005TIP3   OH236458   4.280   0.097   0.025
+ 1005TIP3    H136459   4.264   0.192   0.012
+ 1005TIP3    H236460   4.319   0.073  -0.059
+ 1005TIP3   OH236461   4.252   0.146   1.147
+ 1005TIP3    H136462   4.194   0.068   1.158
+ 1005TIP3    H236463   4.338   0.100   1.148
+ 1005TIP3   OH236464   3.518   0.075   0.800
+ 1005TIP3    H136465   3.547   0.105   0.887
+ 1005TIP3    H236466   3.486  -0.015   0.818
+ 1005TIP3   OH236467   3.860  -0.162  -0.532
+ 1005TIP3    H136468   3.817  -0.206  -0.456
+ 1005TIP3    H236469   3.786  -0.151  -0.594
+ 1005TIP3   OH236470   3.368  -0.112  -0.237
+ 1005TIP3    H136471   3.395  -0.091  -0.327
+ 1005TIP3    H236472   3.274  -0.096  -0.240
+ 1005TIP3   OH236473   4.352   0.197   0.752
+ 1005TIP3    H136474   4.379   0.135   0.681
+ 1005TIP3    H236475   4.271   0.153   0.783
+ 1005TIP3   OH236476   4.046  -0.201   0.216
+ 1005TIP3    H136477   3.953  -0.191   0.242
+ 1005TIP3    H236478   4.090  -0.174   0.298
+ 1005TIP3   OH236479   3.489  -0.047   0.073
+ 1005TIP3    H136480   3.415  -0.034   0.012
+ 1005TIP3    H236481   3.524  -0.133   0.042
+ 1005TIP3   OH236482   3.871  -0.020  -0.156
+ 1005TIP3    H136483   3.968  -0.015  -0.150
+ 1005TIP3    H236484   3.849   0.037  -0.231
+ 1005TIP3   OH236485   3.715   0.105  -0.374
+ 1005TIP3    H136486   3.657   0.077  -0.447
+ 1005TIP3    H236487   3.797   0.121  -0.423
+ 1006TIP3   OH236488   3.582   0.580   1.125
+ 1006TIP3    H136489   3.651   0.586   1.194
+ 1006TIP3    H236490   3.502   0.576   1.181
+ 1006TIP3   OH236491   4.138   0.036   0.354
+ 1006TIP3    H136492   4.219   0.009   0.309
+ 1006TIP3    H236493   4.164   0.031   0.447
+ 1006TIP3   OH236494   3.666  -0.288   0.028
+ 1006TIP3    H136495   3.612  -0.369   0.029
+ 1006TIP3    H236496   3.741  -0.314  -0.027
+ 1006TIP3   OH236497   4.047  -0.089   0.626
+ 1006TIP3    H136498   3.977  -0.024   0.610
+ 1006TIP3    H236499   4.098  -0.046   0.698
+ 1006TIP3   OH236500   4.072   0.544  -0.188
+ 1006TIP3    H136501   3.989   0.501  -0.219
+ 1006TIP3    H236502   4.054   0.561  -0.093
+ 1006TIP3   OH236503   4.203   0.547   0.939
+ 1006TIP3    H136504   4.185   0.538   1.032
+ 1006TIP3    H236505   4.214   0.643   0.926
+ 1006TIP3   OH236506   3.565   0.499   0.366
+ 1006TIP3    H136507   3.645   0.481   0.314
+ 1006TIP3    H236508   3.552   0.417   0.416
+ 1006TIP3   OH236509   4.295   0.687  -0.300
+ 1006TIP3    H136510   4.298   0.765  -0.243
+ 1006TIP3    H236511   4.228   0.634  -0.255
+ 1006TIP3   OH236512   3.289   0.324   0.890
+ 1006TIP3    H136513   3.307   0.286   0.978
+ 1006TIP3    H236514   3.241   0.252   0.846
+ 1006TIP3   OH236515   4.001   0.278   1.120
+ 1006TIP3    H136516   3.966   0.249   1.034
+ 1006TIP3    H236517   4.095   0.253   1.110
+ 1007TIP3   OH236518   3.811   0.831   0.123
+ 1007TIP3    H136519   3.856   0.915   0.106
+ 1007TIP3    H236520   3.722   0.849   0.091
+ 1007TIP3   OH236521   4.013   0.609   0.077
+ 1007TIP3    H136522   3.986   0.701   0.093
+ 1007TIP3    H236523   3.943   0.560   0.122
+ 1007TIP3   OH236524   4.019   1.029   0.722
+ 1007TIP3    H136525   4.077   1.099   0.686
+ 1007TIP3    H236526   4.085   0.974   0.767
+ 1007TIP3   OH236527   3.858   1.118   0.041
+ 1007TIP3    H136528   3.762   1.134   0.048
+ 1007TIP3    H236529   3.895   1.206   0.063
+ 1007TIP3   OH236530   3.426  -0.203   0.881
+ 1007TIP3    H136531   3.335  -0.187   0.851
+ 1007TIP3    H236532   3.419  -0.289   0.926
+ 1007TIP3   OH236533   3.411   0.969   0.721
+ 1007TIP3    H136534   3.441   0.878   0.734
+ 1007TIP3    H236535   3.437   1.008   0.806
+ 1007TIP3   OH236536   3.990   0.836  -0.581
+ 1007TIP3    H136537   4.029   0.759  -0.625
+ 1007TIP3    H236538   3.957   0.796  -0.498
+ 1007TIP3   OH236539   3.883   0.781  -0.308
+ 1007TIP3    H136540   3.933   0.730  -0.243
+ 1007TIP3    H236541   3.895   0.873  -0.277
+ 1007TIP3   OH236542   4.337  -0.177   0.789
+ 1007TIP3    H136543   4.377  -0.256   0.827
+ 1007TIP3    H236544   4.278  -0.215   0.722
+ 1007TIP3   OH236545   4.168   0.955  -0.243
+ 1007TIP3    H136546   4.085   1.003  -0.232
+ 1007TIP3    H236547   4.210   1.001  -0.316
+ 1008TIP3   OH236548   4.120  -0.105  -0.045
+ 1008TIP3    H136549   4.184  -0.036  -0.018
+ 1008TIP3    H236550   4.086  -0.127   0.045
+ 1008TIP3   OH236551   4.160   0.004   0.879
+ 1008TIP3    H136552   4.188   0.061   0.952
+ 1008TIP3    H236553   4.234  -0.059   0.870
+ 1008TIP3   OH236554   4.192  -0.385   0.072
+ 1008TIP3    H136555   4.165  -0.308   0.127
+ 1008TIP3    H236556   4.273  -0.352   0.030
+ 1008TIP3   OH236557   3.893   1.055  -0.245
+ 1008TIP3    H136558   3.890   1.138  -0.297
+ 1008TIP3    H236559   3.882   1.087  -0.154
+ 1008TIP3   OH236560   3.767  -0.279  -0.294
+ 1008TIP3    H136561   3.770  -0.198  -0.241
+ 1008TIP3    H236562   3.850  -0.324  -0.269
+ 1008TIP3   OH236563   3.600   0.819  -0.398
+ 1008TIP3    H136564   3.672   0.851  -0.343
+ 1008TIP3    H236565   3.636   0.734  -0.426
+ 1008TIP3   OH236566   3.491  -0.490   0.420
+ 1008TIP3    H136567   3.465  -0.468   0.330
+ 1008TIP3    H236568   3.450  -0.576   0.433
+ 1008TIP3   OH236569   3.417   0.883   0.033
+ 1008TIP3    H136570   3.322   0.895   0.033
+ 1008TIP3    H236571   3.441   0.910  -0.057
+ 1008TIP3   OH236572   3.346   1.173   1.142
+ 1008TIP3    H136573   3.403   1.145   1.216
+ 1008TIP3    H236574   3.307   1.089   1.113
+ 1008TIP3   OH236575   3.814   1.077   1.324
+ 1008TIP3    H136576   3.883   1.011   1.340
+ 1008TIP3    H236577   3.789   1.055   1.232
+ 1009TIP3   OH236578   4.230   1.005  -0.547
+ 1009TIP3    H136579   4.149   0.949  -0.545
+ 1009TIP3    H236580   4.296   0.934  -0.558
+ 1009TIP3   OH236581   3.335   0.535   1.255
+ 1009TIP3    H136582   3.351   0.448   1.214
+ 1009TIP3    H236583   3.263   0.568   1.199
+ 1009TIP3   OH236584   3.748   0.565  -0.564
+ 1009TIP3    H136585   3.765   0.517  -0.481
+ 1009TIP3    H236586   3.839   0.572  -0.598
+ 1009TIP3   OH236587   4.005   0.557   1.188
+ 1009TIP3    H136588   3.980   0.589   1.100
+ 1009TIP3    H236589   4.014   0.460   1.173
+ 1009TIP3   OH236590   4.262   0.715  -0.581
+ 1009TIP3    H136591   4.280   0.721  -0.484
+ 1009TIP3    H236592   4.250   0.619  -0.590
+ 1009TIP3   OH236593   3.453   0.268   1.157
+ 1009TIP3    H136594   3.519   0.198   1.160
+ 1009TIP3    H236595   3.431   0.277   1.251
+ 1009TIP3   OH236596   3.855   0.388  -0.301
+ 1009TIP3    H136597   3.798   0.328  -0.252
+ 1009TIP3    H236598   3.892   0.327  -0.368
+ 1009TIP3   OH236599   3.798   0.166   0.916
+ 1009TIP3    H136600   3.741   0.243   0.929
+ 1009TIP3    H236601   3.853   0.196   0.842
+ 1009TIP3   OH236602   3.977   0.191  -0.477
+ 1009TIP3    H136603   3.968   0.193  -0.573
+ 1009TIP3    H236604   4.073   0.201  -0.467
+ 1009TIP3   OH236605   4.285   0.412   1.289
+ 1009TIP3    H136606   4.349   0.381   1.224
+ 1009TIP3    H236607   4.267   0.329   1.336
+ 1010TIP3   OH236608   3.855  -0.105   1.031
+ 1010TIP3    H136609   3.862  -0.172   0.960
+ 1010TIP3    H236610   3.841  -0.025   0.979
+ 1010TIP3   OH236611   3.886  -0.262   0.774
+ 1010TIP3    H136612   3.937  -0.205   0.712
+ 1010TIP3    H236613   3.796  -0.259   0.736
+ 1010TIP3   OH236614   4.067   0.278   0.806
+ 1010TIP3    H136615   4.136   0.278   0.738
+ 1010TIP3    H236616   4.029   0.366   0.792
+ 1010TIP3   OH236617   3.681   0.073   1.212
+ 1010TIP3    H136618   3.625  -0.006   1.207
+ 1010TIP3    H236619   3.759   0.045   1.161
+ 1010TIP3   OH236620   3.969  -0.525   0.811
+ 1010TIP3    H136621   3.947  -0.431   0.792
+ 1010TIP3    H236622   3.902  -0.571   0.756
+ 1010TIP3   OH236623   4.102  -0.079   1.186
+ 1010TIP3    H136624   4.062  -0.104   1.270
+ 1010TIP3    H236625   4.030  -0.100   1.123
+ 1010TIP3   OH236626   3.542  -0.180   1.191
+ 1010TIP3    H136627   3.535  -0.253   1.127
+ 1010TIP3    H236628   3.520  -0.226   1.274
+ 1010TIP3   OH236629   3.945  -0.578   1.093
+ 1010TIP3    H136630   4.007  -0.652   1.095
+ 1010TIP3    H236631   3.940  -0.562   0.996
+ 1010TIP3   OH236632   4.034  -0.399   1.288
+ 1010TIP3    H136633   4.010  -0.453   1.211
+ 1010TIP3    H236634   3.972  -0.324   1.281
+ 1010TIP3   OH236635   3.954   1.312  -0.373
+ 1010TIP3    H136636   4.050   1.314  -0.363
+ 1010TIP3    H236637   3.945   1.358  -0.458
+ 1011TIP3   OH236638   3.316   0.756  -0.500
+ 1011TIP3    H136639   3.379   0.789  -0.433
+ 1011TIP3    H236640   3.306   0.665  -0.472
+ 1011TIP3   OH236641   3.229   1.278   0.050
+ 1011TIP3    H136642   3.157   1.237  -0.001
+ 1011TIP3    H236643   3.248   1.207   0.114
+ 1011TIP3   OH236644   3.273   1.075   0.248
+ 1011TIP3    H136645   3.247   0.984   0.270
+ 1011TIP3    H236646   3.308   1.104   0.333
+ 1011TIP3   OH236647   3.281  -0.054   1.138
+ 1011TIP3    H136648   3.375  -0.080   1.135
+ 1011TIP3    H236649   3.239  -0.138   1.112
+ 1011TIP3   OH236650   3.456   0.873   1.208
+ 1011TIP3    H136651   3.387   0.871   1.140
+ 1011TIP3    H236652   3.404   0.876   1.289
+ 1011TIP3   OH236653   3.740   0.976   0.774
+ 1011TIP3    H136654   3.710   1.060   0.735
+ 1011TIP3    H236655   3.836   0.982   0.755
+ 1011TIP3   OH236656   4.218   1.138   1.062
+ 1011TIP3    H136657   4.205   1.099   1.149
+ 1011TIP3    H236658   4.314   1.158   1.066
+ 1011TIP3   OH236659   3.478   1.270   0.806
+ 1011TIP3    H136660   3.418   1.331   0.760
+ 1011TIP3    H236661   3.441   1.272   0.895
+ 1011TIP3   OH236662   3.729   1.247   0.664
+ 1011TIP3    H136663   3.643   1.266   0.706
+ 1011TIP3    H236664   3.732   1.315   0.594
+ 1011TIP3   OH236665   4.195   1.224   0.619
+ 1011TIP3    H136666   4.179   1.269   0.535
+ 1011TIP3    H236667   4.258   1.282   0.663
+ 1012TIP3   OH236668   3.436   1.149   0.501
+ 1012TIP3    H136669   3.434   1.098   0.585
+ 1012TIP3    H236670   3.510   1.104   0.454
+ 1012TIP3   OH236671   3.635   1.023   0.348
+ 1012TIP3    H136672   3.622   0.928   0.367
+ 1012TIP3    H236673   3.728   1.037   0.375
+ 1012TIP3   OH236674   3.911   1.073   0.432
+ 1012TIP3    H136675   3.936   0.982   0.406
+ 1012TIP3    H236676   3.921   1.067   0.528
+ 1012TIP3   OH236677   4.264  -0.379   0.373
+ 1012TIP3    H136678   4.178  -0.424   0.376
+ 1012TIP3    H236679   4.298  -0.407   0.287
+ 1012TIP3   OH236680   3.479  -0.515   0.093
+ 1012TIP3    H136681   3.387  -0.531   0.067
+ 1012TIP3    H236682   3.504  -0.598   0.134
+ 1012TIP3   OH236683   3.367  -0.517  -0.281
+ 1012TIP3    H136684   3.408  -0.453  -0.343
+ 1012TIP3    H236685   3.294  -0.465  -0.246
+ 1012TIP3   OH236686   3.931  -0.495   0.108
+ 1012TIP3    H136687   4.022  -0.461   0.097
+ 1012TIP3    H236688   3.927  -0.498   0.204
+ 1012TIP3   OH236689   3.376   1.077  -0.188
+ 1012TIP3    H136690   3.305   1.058  -0.251
+ 1012TIP3    H236691   3.369   1.173  -0.181
+ 1012TIP3   OH236692   3.526  -0.345  -0.440
+ 1012TIP3    H136693   3.585  -0.383  -0.506
+ 1012TIP3    H236694   3.590  -0.308  -0.376
+ 1012TIP3   OH236695   4.062  -0.323  -0.196
+ 1012TIP3    H136696   4.065  -0.385  -0.122
+ 1012TIP3    H236697   4.063  -0.237  -0.149
+ 1013TIP3   OH236698   4.263   1.240  -0.370
+ 1013TIP3    H136699   4.352   1.276  -0.386
+ 1013TIP3    H236700   4.250   1.180  -0.445
+ 1013TIP3   OH236701   3.460  -0.440   1.077
+ 1013TIP3    H136702   3.418  -0.525   1.102
+ 1013TIP3    H236703   3.553  -0.462   1.091
+ 1013TIP3   OH236704   3.702  -0.506   1.249
+ 1013TIP3    H136705   3.784  -0.540   1.206
+ 1013TIP3    H236706   3.663  -0.589   1.282
+ 1013TIP3   OH236707   3.527   1.175  -0.499
+ 1013TIP3    H136708   3.496   1.189  -0.408
+ 1013TIP3    H236709   3.601   1.113  -0.484
+ 1013TIP3   OH236710  -3.164   2.284   0.140
+ 1013TIP3    H136711  -3.159   2.379   0.161
+ 1013TIP3    H236712  -3.239   2.284   0.078
+ 1013TIP3   OH236713  -3.273   2.233   0.450
+ 1013TIP3    H136714  -3.275   2.181   0.532
+ 1013TIP3    H236715  -3.305   2.169   0.385
+ 1013TIP3   OH236716  -4.027   2.193   0.614
+ 1013TIP3    H136717  -4.033   2.119   0.678
+ 1013TIP3    H236718  -3.960   2.249   0.657
+ 1013TIP3   OH236719  -2.909   2.507   0.283
+ 1013TIP3    H136720  -2.944   2.437   0.340
+ 1013TIP3    H236721  -2.878   2.571   0.350
+ 1013TIP3   OH236722  -3.959   2.655   0.467
+ 1013TIP3    H136723  -3.988   2.566   0.440
+ 1013TIP3    H236724  -3.865   2.639   0.485
+ 1013TIP3   OH236725  -4.214   2.025  -0.111
+ 1013TIP3    H136726  -4.252   2.107  -0.077
+ 1013TIP3    H236727  -4.292   1.967  -0.114
+ 1014TIP3   OH236728  -4.207   2.230   0.172
+ 1014TIP3    H136729  -4.186   2.168   0.244
+ 1014TIP3    H236730  -4.122   2.272   0.155
+ 1014TIP3   OH236731  -3.201   3.044   0.339
+ 1014TIP3    H136732  -3.142   2.973   0.308
+ 1014TIP3    H236733  -3.229   3.010   0.425
+ 1014TIP3   OH236734  -3.426   2.485   0.507
+ 1014TIP3    H136735  -3.392   2.413   0.450
+ 1014TIP3    H236736  -3.345   2.501   0.560
+ 1014TIP3   OH236737  -2.551   1.639   0.564
+ 1014TIP3    H136738  -2.529   1.695   0.641
+ 1014TIP3    H236739  -2.487   1.672   0.499
+ 1014TIP3   OH236740  -3.096   1.919   0.556
+ 1014TIP3    H136741  -3.081   1.824   0.565
+ 1014TIP3    H236742  -3.106   1.928   0.460
+ 1014TIP3   OH236743  -3.797   1.720   0.266
+ 1014TIP3    H136744  -3.786   1.805   0.220
+ 1014TIP3    H236745  -3.834   1.666   0.193
+ 1014TIP3   OH236746  -3.032   1.730   0.063
+ 1014TIP3    H136747  -2.993   1.676   0.134
+ 1014TIP3    H236748  -2.951   1.776   0.032
+ 1014TIP3   OH236749  -4.138   1.994   0.319
+ 1014TIP3    H136750  -4.080   1.952   0.385
+ 1014TIP3    H236751  -4.120   1.939   0.241
+ 1014TIP3   OH236752  -3.590   2.130   0.261
+ 1014TIP3    H136753  -3.522   2.074   0.303
+ 1014TIP3    H236754  -3.644   2.064   0.215
+ 1014TIP3   OH236755  -2.487   1.770   0.814
+ 1014TIP3    H136756  -2.545   1.845   0.791
+ 1014TIP3    H236757  -2.493   1.772   0.911
+ 1015TIP3   OH236758  -3.917   1.603   0.683
+ 1015TIP3    H136759  -3.964   1.644   0.610
+ 1015TIP3    H236760  -3.981   1.617   0.756
+ 1015TIP3   OH236761  -3.171   2.574   0.022
+ 1015TIP3    H136762  -3.201   2.554  -0.067
+ 1015TIP3    H236763  -3.215   2.659   0.041
+ 1015TIP3   OH236764  -3.626   2.387   0.694
+ 1015TIP3    H136765  -3.699   2.447   0.721
+ 1015TIP3    H236766  -3.564   2.448   0.651
+ 1015TIP3   OH236767  -2.844   1.669   0.295
+ 1015TIP3    H136768  -2.872   1.601   0.357
+ 1015TIP3    H236769  -2.783   1.721   0.350
+ 1015TIP3   OH236770  -3.958   1.807   0.473
+ 1015TIP3    H136771  -3.893   1.863   0.521
+ 1015TIP3    H236772  -3.899   1.768   0.405
+ 1015TIP3   OH236773  -3.827   2.573   0.769
+ 1015TIP3    H136774  -3.830   2.665   0.735
+ 1015TIP3    H236775  -3.916   2.567   0.809
+ 1015TIP3   OH236776  -4.182   2.537  -0.142
+ 1015TIP3    H136777  -4.264   2.555  -0.193
+ 1015TIP3    H236778  -4.191   2.599  -0.067
+ 1015TIP3   OH236779  -2.851   2.689   0.532
+ 1015TIP3    H136780  -2.948   2.701   0.534
+ 1015TIP3    H236781  -2.822   2.774   0.496
+ 1015TIP3   OH236782  -2.815   1.579   0.683
+ 1015TIP3    H136783  -2.892   1.617   0.639
+ 1015TIP3    H236784  -2.744   1.595   0.618
+ 1015TIP3   OH236785  -3.504   1.347   0.392
+ 1015TIP3    H136786  -3.528   1.253   0.387
+ 1015TIP3    H236787  -3.587   1.386   0.428
+ 1016TIP3   OH236788  -3.019   2.882   0.191
+ 1016TIP3    H136789  -2.971   2.804   0.158
+ 1016TIP3    H236790  -2.953   2.953   0.178
+ 1016TIP3   OH236791  -2.875   2.669   0.051
+ 1016TIP3    H136792  -2.927   2.624  -0.017
+ 1016TIP3    H236793  -2.881   2.606   0.125
+ 1016TIP3   OH236794  -2.724   2.553   0.900
+ 1016TIP3    H136795  -2.731   2.487   0.829
+ 1016TIP3    H236796  -2.707   2.635   0.851
+ 1016TIP3   OH236797  -3.283   2.241  -0.134
+ 1016TIP3    H136798  -3.353   2.303  -0.164
+ 1016TIP3    H236799  -3.219   2.248  -0.206
+ 1016TIP3   OH236800  -3.264   2.063  -0.419
+ 1016TIP3    H136801  -3.188   2.086  -0.363
+ 1016TIP3    H236802  -3.222   2.005  -0.484
+ 1016TIP3   OH236803  -2.547   2.168   0.694
+ 1016TIP3    H136804  -2.616   2.235   0.703
+ 1016TIP3    H236805  -2.495   2.202   0.619
+ 1016TIP3   OH236806  -2.944   2.238  -0.022
+ 1016TIP3    H136807  -3.010   2.265   0.046
+ 1016TIP3    H236808  -2.882   2.185   0.032
+ 1016TIP3   OH236809  -2.961   2.096   0.862
+ 1016TIP3    H136810  -2.954   2.178   0.913
+ 1016TIP3    H236811  -3.025   2.125   0.795
+ 1016TIP3   OH236812  -3.782   2.321   0.154
+ 1016TIP3    H136813  -3.816   2.278   0.074
+ 1016TIP3    H236814  -3.718   2.254   0.187
+ 1016TIP3   OH236815  -3.648   2.659   0.430
+ 1016TIP3    H136816  -3.659   2.623   0.341
+ 1016TIP3    H236817  -3.568   2.613   0.461
+ 1017TIP3   OH236818  -3.726   2.203   0.502
+ 1017TIP3    H136819  -3.667   2.207   0.425
+ 1017TIP3    H236820  -3.688   2.268   0.563
+ 1017TIP3   OH236821  -3.131   2.752   0.562
+ 1017TIP3    H136822  -3.129   2.819   0.633
+ 1017TIP3    H236823  -3.153   2.670   0.610
+ 1017TIP3   OH236824  -3.642   2.633   0.988
+ 1017TIP3    H136825  -3.695   2.699   1.036
+ 1017TIP3    H236826  -3.706   2.605   0.919
+ 1017TIP3   OH236827  -3.036   2.137  -0.261
+ 1017TIP3    H136828  -2.988   2.178  -0.186
+ 1017TIP3    H236829  -2.991   2.184  -0.336
+ 1017TIP3   OH236830  -3.956   2.267   0.903
+ 1017TIP3    H136831  -3.948   2.327   0.979
+ 1017TIP3    H236832  -4.053   2.263   0.893
+ 1017TIP3   OH236833  -3.303   2.846   0.080
+ 1017TIP3    H136834  -3.257   2.877   0.159
+ 1017TIP3    H236835  -3.352   2.925   0.052
+ 1017TIP3   OH236836  -3.835   2.848   1.072
+ 1017TIP3    H136837  -3.842   2.853   0.975
+ 1017TIP3    H236838  -3.927   2.830   1.099
+ 1017TIP3   OH236839  -2.689   1.344  -0.344
+ 1017TIP3    H136840  -2.772   1.348  -0.296
+ 1017TIP3    H236841  -2.651   1.433  -0.331
+ 1017TIP3   OH236842  -3.892   2.193  -0.093
+ 1017TIP3    H136843  -3.917   2.270  -0.146
+ 1017TIP3    H236844  -3.961   2.129  -0.117
+ 1017TIP3   OH236845  -2.564   2.773  -0.474
+ 1017TIP3    H136846  -2.551   2.867  -0.450
+ 1017TIP3    H236847  -2.477   2.735  -0.453
+ 1018TIP3   OH236848  -4.266   2.476   0.761
+ 1018TIP3    H136849  -4.288   2.443   0.673
+ 1018TIP3    H236850  -4.307   2.407   0.817
+ 1018TIP3   OH236851  -4.282   2.754   0.459
+ 1018TIP3    H136852  -4.196   2.714   0.478
+ 1018TIP3    H236853  -4.300   2.805   0.539
+ 1018TIP3   OH236854  -2.441   2.813   1.053
+ 1018TIP3    H136855  -2.451   2.717   1.035
+ 1018TIP3    H236856  -2.533   2.836   1.079
+ 1018TIP3   OH236857  -3.378   2.737   0.932
+ 1018TIP3    H136858  -3.371   2.820   0.983
+ 1018TIP3    H236859  -3.469   2.707   0.954
+ 1018TIP3   OH236860  -3.347   3.119  -0.071
+ 1018TIP3    H136861  -3.349   3.129  -0.168
+ 1018TIP3    H236862  -3.344   3.211  -0.040
+ 1018TIP3   OH236863  -3.976   3.031   0.092
+ 1018TIP3    H136864  -3.954   2.990   0.178
+ 1018TIP3    H236865  -4.055   2.980   0.069
+ 1018TIP3   OH236866  -3.019   3.061  -0.353
+ 1018TIP3    H136867  -2.961   2.995  -0.397
+ 1018TIP3    H236868  -3.025   3.024  -0.263
+ 1018TIP3   OH236869  -3.080   3.003  -0.073
+ 1018TIP3    H136870  -3.175   3.018  -0.059
+ 1018TIP3    H236871  -3.064   2.933  -0.008
+ 1018TIP3   OH236872  -2.765   1.951   1.093
+ 1018TIP3    H136873  -2.814   1.990   1.019
+ 1018TIP3    H236874  -2.759   1.857   1.065
+ 1018TIP3   OH236875  -4.071   2.616   0.909
+ 1018TIP3    H136876  -4.042   2.559   0.982
+ 1018TIP3    H236877  -4.147   2.567   0.870
+ 1019TIP3   OH236878  -3.748   1.465   0.481
+ 1019TIP3    H136879  -3.830   1.454   0.431
+ 1019TIP3    H236880  -3.774   1.535   0.543
+ 1019TIP3   OH236881  -3.311   1.421   0.847
+ 1019TIP3    H136882  -3.258   1.368   0.910
+ 1019TIP3    H236883  -3.401   1.387   0.860
+ 1019TIP3   OH236884  -2.996   1.800   0.896
+ 1019TIP3    H136885  -3.054   1.784   0.973
+ 1019TIP3    H236886  -3.001   1.896   0.885
+ 1019TIP3   OH236887  -2.905   2.278  -0.466
+ 1019TIP3    H136888  -2.921   2.270  -0.562
+ 1019TIP3    H236889  -2.816   2.317  -0.466
+ 1019TIP3   OH236890  -3.289   1.662  -0.403
+ 1019TIP3    H136891  -3.366   1.656  -0.343
+ 1019TIP3    H236892  -3.327   1.614  -0.479
+ 1019TIP3   OH236893  -3.760   1.942   0.623
+ 1019TIP3    H136894  -3.820   1.952   0.699
+ 1019TIP3    H236895  -3.756   2.034   0.587
+ 1019TIP3   OH236896  -3.770   1.949   0.110
+ 1019TIP3    H136897  -3.866   1.943   0.095
+ 1019TIP3    H236898  -3.737   1.930   0.020
+ 1019TIP3   OH236899  -3.172   1.992  -0.063
+ 1019TIP3    H136900  -3.230   2.071  -0.050
+ 1019TIP3    H236901  -3.105   2.038  -0.116
+ 1019TIP3   OH236902  -3.288   2.027   1.126
+ 1019TIP3    H136903  -3.338   1.950   1.160
+ 1019TIP3    H236904  -3.200   2.012   1.165
+ 1019TIP3   OH236905  -3.120   1.936   0.261
+ 1019TIP3    H136906  -3.140   2.001   0.192
+ 1019TIP3    H236907  -3.101   1.857   0.208
+ 1020TIP3   OH236908  -4.024   1.958   0.806
+ 1020TIP3    H136909  -3.998   1.995   0.892
+ 1020TIP3    H236910  -4.052   1.869   0.830
+ 1020TIP3   OH236911  -3.684   1.720  -0.530
+ 1020TIP3    H136912  -3.726   1.678  -0.453
+ 1020TIP3    H236913  -3.759   1.735  -0.589
+ 1020TIP3   OH236914  -4.317   1.722   0.174
+ 1020TIP3    H136915  -4.307   1.690   0.265
+ 1020TIP3    H236916  -4.284   1.647   0.123
+ 1020TIP3   OH236917  -4.208   1.758  -0.247
+ 1020TIP3    H136918  -4.148   1.787  -0.319
+ 1020TIP3    H236919  -4.291   1.796  -0.276
+ 1020TIP3   OH236920  -3.212   2.113   0.711
+ 1020TIP3    H136921  -3.167   2.041   0.662
+ 1020TIP3    H236922  -3.244   2.066   0.789
+ 1020TIP3   OH236923  -3.490   1.712   0.209
+ 1020TIP3    H136924  -3.584   1.703   0.232
+ 1020TIP3    H236925  -3.448   1.687   0.293
+ 1020TIP3   OH236926  -4.038   1.836   0.076
+ 1020TIP3    H136927  -4.115   1.849   0.019
+ 1020TIP3    H236928  -4.004   1.751   0.043
+ 1020TIP3   OH236929  -3.665   1.861  -0.153
+ 1020TIP3    H136930  -3.572   1.886  -0.151
+ 1020TIP3    H236931  -3.703   1.920  -0.222
+ 1020TIP3   OH236932  -3.054   1.622   0.516
+ 1020TIP3    H136933  -3.117   1.622   0.592
+ 1020TIP3    H236934  -3.112   1.588   0.446
+ 1020TIP3   OH236935  -3.821   1.988  -0.370
+ 1020TIP3    H136936  -3.885   1.960  -0.437
+ 1020TIP3    H236937  -3.743   2.007  -0.425
+ 1021TIP3   OH236938  -2.753   3.203   1.182
+ 1021TIP3    H136939  -2.729   3.245   1.097
+ 1021TIP3    H236940  -2.681   3.232   1.240
+ 1021TIP3   OH236941  -3.951   2.462   1.125
+ 1021TIP3    H136942  -3.890   2.466   1.201
+ 1021TIP3    H236943  -4.037   2.471   1.172
+ 1021TIP3   OH236944  -3.386   1.962   0.394
+ 1021TIP3    H136945  -3.313   1.914   0.353
+ 1021TIP3    H236946  -3.406   1.904   0.471
+ 1021TIP3   OH236947  -3.873   1.599   0.023
+ 1021TIP3    H136948  -3.923   1.516   0.027
+ 1021TIP3    H236949  -3.795   1.571  -0.027
+ 1021TIP3   OH236950  -3.489   1.812   0.617
+ 1021TIP3    H136951  -3.569   1.866   0.623
+ 1021TIP3    H236952  -3.442   1.834   0.701
+ 1021TIP3   OH236953  -3.471   2.440  -0.187
+ 1021TIP3    H136954  -3.550   2.394  -0.224
+ 1021TIP3    H236955  -3.496   2.449  -0.092
+ 1021TIP3   OH236956  -2.756   2.364   0.685
+ 1021TIP3    H136957  -2.704   2.417   0.620
+ 1021TIP3    H236958  -2.840   2.353   0.638
+ 1021TIP3   OH236959  -3.313   2.449   0.943
+ 1021TIP3    H136960  -3.344   2.416   1.028
+ 1021TIP3    H236961  -3.344   2.541   0.943
+ 1021TIP3   OH236962  -3.977   2.378   0.381
+ 1021TIP3    H136963  -3.909   2.371   0.312
+ 1021TIP3    H236964  -3.962   2.297   0.433
+ 1021TIP3   OH236965  -3.238   2.583  -0.296
+ 1021TIP3    H136966  -3.264   2.670  -0.259
+ 1021TIP3    H236967  -3.314   2.528  -0.268
+ 1022TIP3   OH236968  -4.238   2.231   0.947
+ 1022TIP3    H136969  -4.231   2.167   1.019
+ 1022TIP3    H236970  -4.287   2.181   0.878
+ 1022TIP3   OH236971  -3.540   2.166   1.118
+ 1022TIP3    H136972  -3.577   2.138   1.032
+ 1022TIP3    H236973  -3.447   2.136   1.108
+ 1022TIP3   OH236974  -3.088   2.707   0.889
+ 1022TIP3    H136975  -3.184   2.715   0.884
+ 1022TIP3    H236976  -3.070   2.732   0.981
+ 1022TIP3   OH236977  -2.532   1.914  -0.230
+ 1022TIP3    H136978  -2.589   1.892  -0.306
+ 1022TIP3    H236979  -2.522   2.010  -0.245
+ 1022TIP3   OH236980  -2.489   2.518   1.048
+ 1022TIP3    H136981  -2.582   2.538   1.027
+ 1022TIP3    H236982  -2.453   2.499   0.959
+ 1022TIP3   OH236983  -2.719   2.771  -0.227
+ 1022TIP3    H136984  -2.736   2.696  -0.168
+ 1022TIP3    H236985  -2.657   2.735  -0.292
+ 1022TIP3   OH236986  -2.988   2.306   0.513
+ 1022TIP3    H136987  -3.082   2.289   0.491
+ 1022TIP3    H236988  -2.944   2.234   0.465
+ 1022TIP3   OH236989  -3.727   2.715   0.120
+ 1022TIP3    H136990  -3.686   2.803   0.107
+ 1022TIP3    H236991  -3.819   2.733   0.097
+ 1022TIP3   OH236992  -4.153   2.211  -0.410
+ 1022TIP3    H136993  -4.082   2.267  -0.373
+ 1022TIP3    H236994  -4.229   2.268  -0.396
+ 1022TIP3   OH236995  -3.544   2.483   0.079
+ 1022TIP3    H136996  -3.572   2.575   0.095
+ 1022TIP3    H236997  -3.615   2.434   0.121
+ 1023TIP3   OH236998  -3.526   2.910   0.717
+ 1023TIP3    H136999  -3.471   2.984   0.687
+ 1023TIP3    H237000  -3.464   2.861   0.772
+ 1023TIP3   OH237001  -3.681   3.004   0.041
+ 1023TIP3    H137002  -3.777   3.019   0.048
+ 1023TIP3    H237003  -3.647   3.093   0.064
+ 1023TIP3   OH237004  -3.186   2.484   0.673
+ 1023TIP3    H137005  -3.214   2.457   0.762
+ 1023TIP3    H237006  -3.111   2.424   0.656
+ 1023TIP3   OH237007  -2.968   2.613  -0.436
+ 1023TIP3    H137008  -2.927   2.572  -0.358
+ 1023TIP3    H237009  -3.061   2.601  -0.412
+ 1023TIP3   OH237010  -2.893   2.943   0.914
+ 1023TIP3    H137011  -2.967   2.897   0.871
+ 1023TIP3    H237012  -2.881   3.021   0.857
+ 1023TIP3   OH237013  -2.496   3.041  -0.382
+ 1023TIP3    H137014  -2.425   3.105  -0.403
+ 1023TIP3    H237015  -2.572   3.101  -0.381
+ 1023TIP3   OH237016  -4.101   1.687   0.885
+ 1023TIP3    H137017  -4.188   1.725   0.861
+ 1023TIP3    H237018  -4.122   1.602   0.925
+ 1023TIP3   OH237019  -2.872   2.477  -0.196
+ 1023TIP3    H137020  -2.899   2.403  -0.140
+ 1023TIP3    H237021  -2.775   2.475  -0.186
+ 1023TIP3   OH237022  -4.128   2.857   0.725
+ 1023TIP3    H137023  -4.109   2.763   0.736
+ 1023TIP3    H237024  -4.096   2.891   0.810
+ 1023TIP3   OH237025  -3.544   2.720  -0.577
+ 1023TIP3    H137026  -3.516   2.641  -0.627
+ 1023TIP3    H237027  -3.587   2.680  -0.500
+ 1024TIP3   OH237028  -3.658   2.670  -0.306
+ 1024TIP3    H137029  -3.612   2.620  -0.237
+ 1024TIP3    H237030  -3.646   2.763  -0.275
+ 1024TIP3   OH237031  -3.985   2.413  -0.271
+ 1024TIP3    H137032  -4.056   2.454  -0.215
+ 1024TIP3    H237033  -3.938   2.494  -0.296
+ 1024TIP3   OH237034  -3.210   1.662   0.735
+ 1024TIP3    H137035  -3.148   1.690   0.804
+ 1024TIP3    H237036  -3.259   1.589   0.778
+ 1024TIP3   OH237037  -3.365   2.834  -0.243
+ 1024TIP3    H137038  -3.447   2.883  -0.225
+ 1024TIP3    H237039  -3.330   2.882  -0.319
+ 1024TIP3   OH237040  -3.377   1.802  -0.043
+ 1024TIP3    H137041  -3.322   1.879  -0.020
+ 1024TIP3    H237042  -3.426   1.787   0.041
+ 1024TIP3   OH237043  -3.368   1.897   0.872
+ 1024TIP3    H137044  -3.364   1.949   0.953
+ 1024TIP3    H237045  -3.314   1.820   0.895
+ 1024TIP3   OH237046  -3.318   1.519   0.042
+ 1024TIP3    H137047  -3.355   1.570   0.116
+ 1024TIP3    H237048  -3.247   1.577   0.014
+ 1024TIP3   OH237049  -3.644   2.941  -0.244
+ 1024TIP3    H137050  -3.652   3.021  -0.299
+ 1024TIP3    H237051  -3.659   2.976  -0.154
+ 1024TIP3   OH237052  -3.777   1.609  -0.291
+ 1024TIP3    H137053  -3.764   1.688  -0.237
+ 1024TIP3    H237054  -3.697   1.556  -0.273
+ 1024TIP3   OH237055  -2.742   1.699   0.962
+ 1024TIP3    H137056  -2.838   1.710   0.943
+ 1024TIP3    H237057  -2.712   1.678   0.872
+ 1025TIP3   OH237058  -2.887   2.080   0.357
+ 1025TIP3    H137059  -2.969   2.032   0.335
+ 1025TIP3    H237060  -2.837   2.011   0.407
+ 1025TIP3   OH237061  -3.930   2.697  -0.388
+ 1025TIP3    H137062  -3.854   2.743  -0.349
+ 1025TIP3    H237063  -3.884   2.643  -0.454
+ 1025TIP3   OH237064  -4.113   1.913  -0.471
+ 1025TIP3    H137065  -4.113   2.009  -0.452
+ 1025TIP3    H237066  -4.188   1.900  -0.530
+ 1025TIP3   OH237067  -2.788   2.968   0.502
+ 1025TIP3    H137068  -2.805   3.050   0.451
+ 1025TIP3    H237069  -2.695   2.982   0.526
+ 1025TIP3   OH237070  -4.027   1.411   0.397
+ 1025TIP3    H137071  -4.056   1.406   0.305
+ 1025TIP3    H237072  -4.067   1.330   0.435
+ 1025TIP3   OH237073  -4.135   2.778   0.027
+ 1025TIP3    H137074  -4.227   2.808   0.034
+ 1025TIP3    H237075  -4.107   2.817  -0.056
+ 1025TIP3   OH237076  -4.214   3.053   1.148
+ 1025TIP3    H137077  -4.151   3.052   1.222
+ 1025TIP3    H237078  -4.216   2.957   1.133
+ 1025TIP3   OH237079  -3.719   2.966   1.323
+ 1025TIP3    H137080  -3.656   2.894   1.339
+ 1025TIP3    H237081  -3.750   2.943   1.234
+ 1025TIP3   OH237082  -3.322   2.890  -0.527
+ 1025TIP3    H137083  -3.399   2.830  -0.537
+ 1025TIP3    H237084  -3.253   2.835  -0.565
+ 1025TIP3   OH237085  -3.085   2.797   1.184
+ 1025TIP3    H137086  -3.121   2.712   1.216
+ 1025TIP3    H237087  -3.011   2.812   1.245
+ 1026TIP3   OH237088  -2.860   2.881  -0.517
+ 1026TIP3    H137089  -2.843   2.801  -0.464
+ 1026TIP3    H237090  -2.780   2.885  -0.572
+ 1026TIP3   OH237091  -4.199   2.456   1.209
+ 1026TIP3    H137092  -4.190   2.366   1.173
+ 1026TIP3    H237093  -4.287   2.482   1.178
+ 1026TIP3   OH237094  -3.781   2.464  -0.543
+ 1026TIP3    H137095  -3.763   2.405  -0.468
+ 1026TIP3    H237096  -3.696   2.461  -0.590
+ 1026TIP3   OH237097  -3.539   2.442   1.189
+ 1026TIP3    H137098  -3.569   2.474   1.102
+ 1026TIP3    H237099  -3.531   2.345   1.174
+ 1026TIP3   OH237100  -3.255   2.597  -0.582
+ 1026TIP3    H137101  -3.261   2.593  -0.485
+ 1026TIP3    H237102  -3.261   2.502  -0.604
+ 1026TIP3   OH237103  -3.001   2.403   0.928
+ 1026TIP3    H137104  -2.923   2.456   0.908
+ 1026TIP3    H237105  -3.071   2.470   0.926
+ 1026TIP3   OH237106  -4.134   2.129   1.186
+ 1026TIP3    H137107  -4.056   2.072   1.176
+ 1026TIP3    H237108  -4.125   2.156   1.279
+ 1026TIP3   OH237109  -3.672   2.272  -0.309
+ 1026TIP3    H137110  -3.736   2.223  -0.255
+ 1026TIP3    H237111  -3.644   2.204  -0.373
+ 1026TIP3   OH237112  -3.750   2.049   0.917
+ 1026TIP3    H137113  -3.806   2.127   0.933
+ 1026TIP3    H237114  -3.685   2.084   0.853
+ 1026TIP3   OH237115  -3.576   2.073  -0.484
+ 1026TIP3    H137116  -3.582   2.080  -0.581
+ 1026TIP3    H237117  -3.479   2.076  -0.471
+ 1027TIP3   OH237118  -3.218   2.320   1.273
+ 1027TIP3    H137119  -3.129   2.299   1.239
+ 1027TIP3    H237120  -3.245   2.234   1.309
+ 1027TIP3   OH237121  -2.628   2.321  -0.554
+ 1027TIP3    H137122  -2.648   2.284  -0.641
+ 1027TIP3    H237123  -2.637   2.417  -0.573
+ 1027TIP3   OH237124  -3.691   1.778   1.030
+ 1027TIP3    H137125  -3.684   1.712   0.959
+ 1027TIP3    H237126  -3.711   1.859   0.979
+ 1027TIP3   OH237127  -3.657   1.626   0.775
+ 1027TIP3    H137128  -3.606   1.676   0.709
+ 1027TIP3    H237129  -3.748   1.627   0.739
+ 1027TIP3   OH237130  -3.501   2.170   0.815
+ 1027TIP3    H137131  -3.417   2.161   0.766
+ 1027TIP3    H237132  -3.532   2.257   0.784
+ 1027TIP3   OH237133  -3.044   1.963   1.294
+ 1027TIP3    H137134  -3.021   1.869   1.305
+ 1027TIP3    H237135  -2.955   2.002   1.286
+ 1027TIP3   OH237136  -2.948   2.242   1.143
+ 1027TIP3    H137137  -2.981   2.303   1.073
+ 1027TIP3    H237138  -2.858   2.226   1.108
+ 1027TIP3   OH237139  -3.876   1.968   1.207
+ 1027TIP3    H137140  -3.930   1.886   1.210
+ 1027TIP3    H237141  -3.796   1.938   1.162
+ 1027TIP3   OH237142  -3.585   1.358   0.810
+ 1027TIP3    H137143  -3.604   1.452   0.794
+ 1027TIP3    H237144  -3.655   1.315   0.756
+ 1027TIP3   OH237145  -3.459   1.815   1.189
+ 1027TIP3    H137146  -3.493   1.792   1.277
+ 1027TIP3    H237147  -3.538   1.795   1.135
+ 1028TIP3   OH237148  -3.204   1.720   1.075
+ 1028TIP3    H137149  -3.293   1.723   1.116
+ 1028TIP3    H237150  -3.158   1.656   1.133
+ 1028TIP3   OH237151  -3.022   1.568   1.248
+ 1028TIP3    H137152  -3.036   1.473   1.265
+ 1028TIP3    H237153  -3.038   1.609   1.335
+ 1028TIP3   OH237154  -4.014   1.712   1.192
+ 1028TIP3    H137155  -4.016   1.638   1.128
+ 1028TIP3    H237156  -4.032   1.665   1.276
+ 1028TIP3   OH237157  -3.601   1.307   1.091
+ 1028TIP3    H137158  -3.542   1.230   1.096
+ 1028TIP3    H237159  -3.605   1.321   0.994
+ 1028TIP3   OH237160  -3.506   1.493   1.277
+ 1028TIP3    H137161  -3.536   1.434   1.204
+ 1028TIP3    H237162  -3.575   1.560   1.279
+ 1028TIP3   OH237163  -3.599   3.197  -0.374
+ 1028TIP3    H137164  -3.504   3.209  -0.364
+ 1028TIP3    H237165  -3.614   3.241  -0.458
+ 1028TIP3   OH237166  -4.198   2.687  -0.467
+ 1028TIP3    H137167  -4.123   2.680  -0.406
+ 1028TIP3    H237168  -4.219   2.595  -0.487
+ 1028TIP3   OH237169  -4.273   2.965   0.246
+ 1028TIP3    H137170  -4.277   2.876   0.285
+ 1028TIP3    H237171  -4.244   3.016   0.323
+ 1028TIP3   OH237172  -2.516   3.086   0.552
+ 1028TIP3    H137173  -2.498   3.082   0.647
+ 1028TIP3    H237174  -2.430   3.113   0.517
+ 1028TIP3   OH237175  -2.528   3.030   0.841
+ 1028TIP3    H137176  -2.576   2.954   0.803
+ 1028TIP3    H237177  -2.467   2.983   0.900
+ 1029TIP3   OH237178  -2.726   2.575   1.267
+ 1029TIP3    H137179  -2.813   2.580   1.310
+ 1029TIP3    H237180  -2.680   2.653   1.300
+ 1029TIP3   OH237181  -2.586   2.461  -0.158
+ 1029TIP3    H137182  -2.495   2.495  -0.142
+ 1029TIP3    H237183  -2.593   2.399  -0.083
+ 1029TIP3   OH237184  -2.540   2.259   0.045
+ 1029TIP3    H137185  -2.602   2.193   0.082
+ 1029TIP3    H237186  -2.470   2.264   0.113
+ 1029TIP3   OH237187  -2.566   2.506   0.537
+ 1029TIP3    H137188  -2.501   2.458   0.483
+ 1029TIP3    H237189  -2.553   2.598   0.508
+ 1029TIP3   OH237190  -2.696   2.801   0.761
+ 1029TIP3    H137191  -2.770   2.839   0.812
+ 1029TIP3    H237192  -2.741   2.763   0.683
+ 1029TIP3   OH237193  -2.514   2.203  -0.302
+ 1029TIP3    H137194  -2.565   2.231  -0.380
+ 1029TIP3    H237195  -2.525   2.279  -0.243
+ 1029TIP3   OH237196  -2.686   1.954  -0.478
+ 1029TIP3    H137197  -2.661   2.014  -0.549
+ 1029TIP3    H237198  -2.705   1.871  -0.527
+ 1029TIP3   OH237199  -2.754   2.055   0.111
+ 1029TIP3    H137200  -2.759   1.959   0.110
+ 1029TIP3    H237201  -2.781   2.075   0.203
+ 1029TIP3   OH237202  -4.256   2.321   0.518
+ 1029TIP3    H137203  -4.223   2.344   0.430
+ 1029TIP3    H237204  -4.176   2.280   0.558
+ 1029TIP3   OH237205  -2.685   2.264   1.038
+ 1029TIP3    H137206  -2.612   2.201   1.051
+ 1029TIP3    H237207  -2.639   2.346   1.016
+ 1030TIP3   OH237208  -2.530   2.071   1.161
+ 1030TIP3    H137209  -2.608   2.018   1.135
+ 1030TIP3    H237210  -2.458   2.005   1.152
+ 1030TIP3   OH237211  -2.735   1.692  -0.560
+ 1030TIP3    H137212  -2.674   1.636  -0.511
+ 1030TIP3    H237213  -2.816   1.639  -0.567
+ 1030TIP3   OH237214  -2.817   1.824  -0.085
+ 1030TIP3    H137215  -2.766   1.741  -0.076
+ 1030TIP3    H237216  -2.747   1.884  -0.116
+ 1030TIP3   OH237217  -2.735   1.883   0.482
+ 1030TIP3    H137218  -2.638   1.892   0.478
+ 1030TIP3    H237219  -2.748   1.883   0.578
+ 1030TIP3   OH237220  -2.720   1.951   0.765
+ 1030TIP3    H137221  -2.805   1.991   0.791
+ 1030TIP3    H237222  -2.666   2.030   0.743
+ 1030TIP3   OH237223  -4.285   1.816   1.125
+ 1030TIP3    H137224  -4.196   1.777   1.127
+ 1030TIP3    H237225  -4.343   1.742   1.145
+ 1030TIP3   OH237226  -2.468   1.366   1.293
+ 1030TIP3    H137227  -2.419   1.297   1.243
+ 1030TIP3    H237228  -2.461   1.443   1.234
+ 1030TIP3   OH237229  -2.717   1.559  -0.062
+ 1030TIP3    H137230  -2.693   1.523   0.025
+ 1030TIP3    H237231  -2.791   1.501  -0.088
+ 1030TIP3   OH237232  -4.195   1.670   0.446
+ 1030TIP3    H137233  -4.160   1.580   0.440
+ 1030TIP3    H237234  -4.115   1.723   0.459
+ 1030TIP3   OH237235  -4.332   1.933   0.527
+ 1030TIP3    H137236  -4.295   1.880   0.455
+ 1030TIP3    H237237  -4.313   2.023   0.497
+ 1031TIP3   OH237238  -2.527   1.574   1.119
+ 1031TIP3    H137239  -2.615   1.615   1.120
+ 1031TIP3    H237240  -2.535   1.517   1.040
+ 1031TIP3   OH237241  -2.504   1.581  -0.416
+ 1031TIP3    H137242  -2.459   1.502  -0.448
+ 1031TIP3    H237243  -2.428   1.633  -0.382
+ 1031TIP3   OH237244  -4.316   1.546  -0.120
+ 1031TIP3    H137245  -4.400   1.573  -0.160
+ 1031TIP3    H237246  -4.256   1.615  -0.157
+ 1031TIP3   OH237247  -2.828   3.090   0.132
+ 1031TIP3    H137248  -2.780   3.065   0.051
+ 1031TIP3    H237249  -2.757   3.126   0.186
+ 1031TIP3   OH237250  -4.291   1.443   0.715
+ 1031TIP3    H137251  -4.360   1.433   0.785
+ 1031TIP3    H237252  -4.337   1.488   0.643
+ 1031TIP3   OH237253  -4.117   2.795   1.182
+ 1031TIP3    H137254  -4.168   2.732   1.130
+ 1031TIP3    H237255  -4.134   2.760   1.273
+ 1031TIP3   OH237256  -3.802   2.861   0.775
+ 1031TIP3    H137257  -3.834   2.944   0.735
+ 1031TIP3    H237258  -3.706   2.869   0.755
+ 1031TIP3   OH237259  -3.353   2.990   1.074
+ 1031TIP3    H137260  -3.335   2.972   1.167
+ 1031TIP3    H237261  -3.270   3.034   1.046
+ 1031TIP3   OH237262  -3.124   3.134   1.000
+ 1031TIP3    H137263  -3.053   3.072   0.975
+ 1031TIP3    H237264  -3.091   3.166   1.087
+ 1031TIP3   OH237265  -2.638   1.393   0.915
+ 1031TIP3    H137266  -2.718   1.415   0.864
+ 1031TIP3    H237267  -2.618   1.303   0.882
+ 1032TIP3   OH237268  -4.069   3.165   0.798
+ 1032TIP3    H137269  -4.137   3.214   0.748
+ 1032TIP3    H237270  -4.103   3.173   0.888
+ 1032TIP3   OH237271  -3.818   3.132   0.662
+ 1032TIP3    H137272  -3.905   3.151   0.702
+ 1032TIP3    H237273  -3.814   3.198   0.590
+ 1032TIP3   OH237274  -3.342   3.131   0.616
+ 1032TIP3    H137275  -3.379   3.175   0.538
+ 1032TIP3    H237276  -3.333   3.207   0.677
+ 1032TIP3   OH237277  -3.109   3.003   0.710
+ 1032TIP3    H137278  -3.193   3.039   0.675
+ 1032TIP3    H237279  -3.051   3.080   0.705
+ 1032TIP3   OH237280  -2.856   3.175   0.726
+ 1032TIP3    H137281  -2.859   3.271   0.705
+ 1032TIP3    H237282  -2.826   3.139   0.641
+ 1032TIP3   OH237283  -4.125   3.041   0.496
+ 1032TIP3    H137284  -4.134   2.994   0.581
+ 1032TIP3    H237285  -4.050   2.993   0.456
+ 1032TIP3   OH237286  -3.910   2.914   0.346
+ 1032TIP3    H137287  -3.927   2.821   0.373
+ 1032TIP3    H237288  -3.819   2.928   0.379
+ 1032TIP3   OH237289  -3.629   2.956   0.432
+ 1032TIP3    H137290  -3.612   2.863   0.409
+ 1032TIP3    H237291  -3.624   2.952   0.528
+ 1032TIP3   OH237292  -3.297   1.544   0.351
+ 1032TIP3    H137293  -3.364   1.477   0.374
+ 1032TIP3    H237294  -3.232   1.491   0.302
+ 1032TIP3   OH237295  -2.801   1.350   0.410
+ 1032TIP3    H137296  -2.724   1.391   0.366
+ 1032TIP3    H237297  -2.874   1.374   0.352
+ 1033TIP3   OH237298  -2.602   1.463   0.192
+ 1033TIP3    H137299  -2.530   1.409   0.153
+ 1033TIP3    H237300  -2.558   1.550   0.201
+ 1033TIP3   OH237301  -4.102   1.400   0.113
+ 1033TIP3    H137302  -4.178   1.372   0.061
+ 1033TIP3    H237303  -4.046   1.319   0.106
+ 1033TIP3   OH237304  -4.185   1.366  -0.305
+ 1033TIP3    H137305  -4.132   1.432  -0.354
+ 1033TIP3    H237306  -4.234   1.423  -0.243
+ 1033TIP3   OH237307  -3.610   1.411   0.102
+ 1033TIP3    H137308  -3.514   1.416   0.093
+ 1033TIP3    H237309  -3.620   1.392   0.196
+ 1033TIP3   OH237310  -3.059   1.403   0.244
+ 1033TIP3    H137311  -3.028   1.381   0.155
+ 1033TIP3    H237312  -3.094   1.317   0.274
+ 1033TIP3   OH237313  -2.961   1.414  -0.155
+ 1033TIP3    H137314  -3.042   1.427  -0.206
+ 1033TIP3    H237315  -2.971   1.320  -0.132
+ 1033TIP3   OH237316  -4.186   2.965  -0.200
+ 1033TIP3    H137317  -4.251   2.946  -0.268
+ 1033TIP3    H237318  -4.184   3.062  -0.201
+ 1033TIP3   OH237319  -4.006   1.553  -0.449
+ 1033TIP3    H137320  -3.951   1.492  -0.501
+ 1033TIP3    H237321  -3.944   1.580  -0.379
+ 1033TIP3   OH237322  -3.479   1.572  -0.201
+ 1033TIP3    H137323  -3.470   1.504  -0.132
+ 1033TIP3    H237324  -3.493   1.651  -0.148
+ 1033TIP3   OH237325  -3.295   3.144  -0.366
+ 1033TIP3    H137326  -3.198   3.145  -0.370
+ 1033TIP3    H237327  -3.315   3.078  -0.435
+ 1034TIP3   OH237328  -2.646   3.046  -0.108
+ 1034TIP3    H137329  -2.668   2.963  -0.152
+ 1034TIP3    H237330  -2.648   3.109  -0.182
+ 1034TIP3   OH237331  -4.080   1.444   1.070
+ 1034TIP3    H137332  -4.125   1.366   1.109
+ 1034TIP3    H237333  -3.988   1.427   1.097
+ 1034TIP3   OH237334  -3.842   1.379   1.246
+ 1034TIP3    H137335  -3.761   1.344   1.205
+ 1034TIP3    H237336  -3.878   1.299   1.288
+ 1034TIP3   OH237337  -4.011   3.066  -0.501
+ 1034TIP3    H137338  -4.042   3.082  -0.410
+ 1034TIP3    H237339  -3.942   2.999  -0.486
+ 1034TIP3   OH237340  -3.030   1.286   1.261
+ 1034TIP3    H137341  -3.026   1.247   1.350
+ 1034TIP3    H237342  -2.936   1.286   1.235
+ 1034TIP3   OH237343  -2.697   2.922   1.133
+ 1034TIP3    H137344  -2.767   2.903   1.069
+ 1034TIP3    H237345  -2.711   3.017   1.149
+ 1034TIP3   OH237346  -2.112   2.199   0.605
+ 1034TIP3    H137347  -2.118   2.117   0.657
+ 1034TIP3    H237348  -2.060   2.254   0.666
+ 1034TIP3   OH237349  -2.048   2.655   0.478
+ 1034TIP3    H137350  -2.076   2.565   0.450
+ 1034TIP3    H237351  -1.961   2.635   0.513
+ 1034TIP3   OH237352  -2.375   1.989   0.015
+ 1034TIP3    H137353  -2.409   2.080   0.015
+ 1034TIP3    H237354  -2.444   1.942  -0.033
+ 1034TIP3   OH237355  -2.285   2.225   0.207
+ 1034TIP3    H137356  -2.264   2.142   0.252
+ 1034TIP3    H237357  -2.208   2.234   0.148
+ 1035TIP3   OH237358  -1.895   1.737   0.264
+ 1035TIP3    H137359  -1.931   1.819   0.230
+ 1035TIP3    H237360  -1.941   1.671   0.209
+ 1035TIP3   OH237361  -2.217   1.964   0.341
+ 1035TIP3    H137362  -2.142   1.919   0.383
+ 1035TIP3    H237363  -2.207   1.934   0.249
+ 1035TIP3   OH237364  -2.314   2.546  -0.144
+ 1035TIP3    H137365  -2.326   2.597  -0.225
+ 1035TIP3    H237366  -2.293   2.614  -0.077
+ 1035TIP3   OH237367  -1.131   2.880   0.160
+ 1035TIP3    H137368  -1.071   2.804   0.160
+ 1035TIP3    H237369  -1.068   2.955   0.164
+ 1035TIP3   OH237370  -0.830   2.534   0.885
+ 1035TIP3    H137371  -0.840   2.477   0.808
+ 1035TIP3    H237372  -0.833   2.623   0.844
+ 1035TIP3   OH237373  -1.374   2.101  -0.425
+ 1035TIP3    H137374  -1.284   2.130  -0.405
+ 1035TIP3    H237375  -1.357   2.027  -0.486
+ 1035TIP3   OH237376  -2.059   2.265   0.890
+ 1035TIP3    H137377  -2.043   2.322   0.968
+ 1035TIP3    H237378  -2.155   2.253   0.894
+ 1035TIP3   OH237379  -1.428   2.833   0.073
+ 1035TIP3    H137380  -1.353   2.859   0.128
+ 1035TIP3    H237381  -1.466   2.916   0.042
+ 1035TIP3   OH237382  -1.941   2.852   1.041
+ 1035TIP3    H137383  -1.932   2.813   0.954
+ 1035TIP3    H237384  -2.016   2.804   1.078
+ 1035TIP3   OH237385  -2.042   2.202  -0.060
+ 1035TIP3    H137386  -2.029   2.265  -0.132
+ 1035TIP3    H237387  -2.066   2.121  -0.104
+ 1036TIP3   OH237388  -0.701   2.782  -0.472
+ 1036TIP3    H137389  -0.675   2.870  -0.438
+ 1036TIP3    H237390  -0.631   2.728  -0.432
+ 1036TIP3   OH237391  -2.403   2.465   0.785
+ 1036TIP3    H137392  -2.443   2.462   0.696
+ 1036TIP3    H237393  -2.383   2.371   0.802
+ 1036TIP3   OH237394  -2.397   2.755   0.475
+ 1036TIP3    H137395  -2.305   2.724   0.483
+ 1036TIP3    H237396  -2.402   2.815   0.551
+ 1036TIP3   OH237397  -0.558   2.814   1.053
+ 1036TIP3    H137398  -0.571   2.719   1.037
+ 1036TIP3    H237399  -0.648   2.840   1.082
+ 1036TIP3   OH237400  -1.478   3.129  -0.057
+ 1036TIP3    H137401  -1.470   3.108  -0.151
+ 1036TIP3    H237402  -1.451   3.222  -0.051
+ 1036TIP3   OH237403  -2.085   3.035   0.093
+ 1036TIP3    H137404  -2.066   2.986   0.175
+ 1036TIP3    H237405  -2.166   2.991   0.063
+ 1036TIP3   OH237406  -1.132   3.059  -0.356
+ 1036TIP3    H137407  -1.083   2.986  -0.398
+ 1036TIP3    H237408  -1.141   3.026  -0.265
+ 1036TIP3   OH237409  -1.194   3.011  -0.079
+ 1036TIP3    H137410  -1.291   3.011  -0.076
+ 1036TIP3    H237411  -1.174   2.942  -0.012
+ 1036TIP3   OH237412  -0.840   1.975   1.096
+ 1036TIP3    H137413  -0.914   2.005   1.042
+ 1036TIP3    H237414  -0.847   1.879   1.086
+ 1036TIP3   OH237415  -2.151   2.626   0.888
+ 1036TIP3    H137416  -2.110   2.575   0.960
+ 1036TIP3    H237417  -2.218   2.565   0.855
+ 1037TIP3   OH237418  -1.426   1.681  -0.436
+ 1037TIP3    H137419  -1.479   1.676  -0.356
+ 1037TIP3    H237420  -1.449   1.599  -0.482
+ 1037TIP3   OH237421  -2.142   1.965   0.799
+ 1037TIP3    H137422  -2.102   1.987   0.883
+ 1037TIP3    H237423  -2.147   1.868   0.806
+ 1037TIP3   OH237424  -1.789   1.714  -0.540
+ 1037TIP3    H137425  -1.821   1.674  -0.456
+ 1037TIP3    H237426  -1.871   1.737  -0.583
+ 1037TIP3   OH237427  -2.449   1.696   0.177
+ 1037TIP3    H137428  -2.380   1.696   0.245
+ 1037TIP3    H237429  -2.404   1.660   0.098
+ 1037TIP3   OH237430  -2.305   1.740  -0.278
+ 1037TIP3    H137431  -2.239   1.796  -0.322
+ 1037TIP3    H237432  -2.365   1.806  -0.239
+ 1037TIP3   OH237433  -2.117   1.853   0.080
+ 1037TIP3    H137434  -2.201   1.880   0.039
+ 1037TIP3    H237435  -2.097   1.768   0.036
+ 1037TIP3   OH237436  -1.953   1.949  -0.362
+ 1037TIP3    H137437  -1.987   1.950  -0.453
+ 1037TIP3    H237438  -1.861   1.978  -0.375
+ 1037TIP3   OH237439  -0.866   3.200   1.182
+ 1037TIP3    H137440  -0.843   3.245   1.099
+ 1037TIP3    H237441  -0.795   3.231   1.241
+ 1037TIP3   OH237442  -2.074   2.455   1.124
+ 1037TIP3    H137443  -2.007   2.470   1.193
+ 1037TIP3    H237444  -2.155   2.469   1.177
+ 1037TIP3   OH237445  -1.989   1.597   0.022
+ 1037TIP3    H137446  -2.035   1.515   0.047
+ 1037TIP3    H237447  -1.915   1.563  -0.030
+ 1038TIP3   OH237448  -2.055   2.388   0.390
+ 1038TIP3    H137449  -2.007   2.360   0.310
+ 1038TIP3    H237450  -2.071   2.302   0.432
+ 1038TIP3   OH237451  -2.358   2.216   0.923
+ 1038TIP3    H137452  -2.333   2.168   1.004
+ 1038TIP3    H237453  -2.410   2.151   0.874
+ 1038TIP3   OH237454  -0.613   2.507   1.043
+ 1038TIP3    H137455  -0.706   2.530   1.021
+ 1038TIP3    H237456  -0.575   2.508   0.953
+ 1038TIP3   OH237457  -1.837   2.698   0.130
+ 1038TIP3    H137458  -1.777   2.772   0.114
+ 1038TIP3    H237459  -1.922   2.732   0.103
+ 1038TIP3   OH237460  -2.241   2.197  -0.422
+ 1038TIP3    H137461  -2.181   2.260  -0.378
+ 1038TIP3    H237462  -2.327   2.222  -0.383
+ 1038TIP3   OH237463  -1.795   2.997   0.037
+ 1038TIP3    H137464  -1.890   3.013   0.045
+ 1038TIP3    H237465  -1.758   3.084   0.057
+ 1038TIP3   OH237466  -1.009   2.927   0.902
+ 1038TIP3    H137467  -1.092   2.895   0.863
+ 1038TIP3    H237468  -0.998   3.013   0.857
+ 1038TIP3   OH237469  -0.614   3.045  -0.375
+ 1038TIP3    H137470  -0.539   3.102  -0.399
+ 1038TIP3    H237471  -0.686   3.110  -0.382
+ 1038TIP3   OH237472  -2.207   1.682   0.874
+ 1038TIP3    H137473  -2.296   1.699   0.841
+ 1038TIP3    H237474  -2.213   1.589   0.903
+ 1038TIP3   OH237475  -2.244   2.850   0.726
+ 1038TIP3    H137476  -2.207   2.762   0.745
+ 1038TIP3    H237477  -2.217   2.897   0.805
+ 1039TIP3   OH237478  -1.660   2.713  -0.552
+ 1039TIP3    H137479  -1.638   2.638  -0.611
+ 1039TIP3    H237480  -1.694   2.667  -0.475
+ 1039TIP3   OH237481  -2.092   2.417  -0.272
+ 1039TIP3    H137482  -2.159   2.447  -0.208
+ 1039TIP3    H237483  -2.047   2.501  -0.293
+ 1039TIP3   OH237484  -1.456   2.916  -0.246
+ 1039TIP3    H137485  -1.545   2.881  -0.233
+ 1039TIP3    H237486  -1.434   2.889  -0.336
+ 1039TIP3   OH237487  -1.770   2.912  -0.259
+ 1039TIP3    H137488  -1.765   2.997  -0.306
+ 1039TIP3    H237489  -1.773   2.941  -0.167
+ 1039TIP3   OH237490  -1.869   1.620  -0.287
+ 1039TIP3    H137491  -1.875   1.706  -0.244
+ 1039TIP3    H237492  -1.786   1.582  -0.253
+ 1039TIP3   OH237493  -0.835   1.716   0.962
+ 1039TIP3    H137494  -0.910   1.671   1.005
+ 1039TIP3    H237495  -0.817   1.658   0.887
+ 1039TIP3   OH237496  -2.018   2.693  -0.372
+ 1039TIP3    H137497  -1.954   2.762  -0.349
+ 1039TIP3    H237498  -1.974   2.647  -0.445
+ 1039TIP3   OH237499  -2.232   1.919  -0.502
+ 1039TIP3    H137500  -2.219   2.006  -0.462
+ 1039TIP3    H237501  -2.327   1.910  -0.506
+ 1039TIP3   OH237502  -0.921   2.957   0.506
+ 1039TIP3    H137503  -0.931   3.037   0.453
+ 1039TIP3    H237504  -0.827   2.959   0.525
+ 1039TIP3   OH237505  -2.123   1.435   0.408
+ 1039TIP3    H137506  -2.119   1.420   0.312
+ 1039TIP3    H237507  -2.134   1.346   0.443
+ 1040TIP3   OH237508  -2.255   2.765   0.028
+ 1040TIP3    H137509  -2.330   2.821   0.051
+ 1040TIP3    H237510  -2.211   2.817  -0.041
+ 1040TIP3   OH237511  -2.313   3.059   1.145
+ 1040TIP3    H137512  -2.252   3.031   1.216
+ 1040TIP3    H237513  -2.349   2.973   1.115
+ 1040TIP3   OH237514  -1.855   2.956   1.312
+ 1040TIP3    H137515  -1.779   2.904   1.341
+ 1040TIP3    H237516  -1.860   2.933   1.218
+ 1040TIP3   OH237517  -1.440   2.886  -0.529
+ 1040TIP3    H137518  -1.517   2.825  -0.537
+ 1040TIP3    H237519  -1.369   2.832  -0.566
+ 1040TIP3   OH237520  -1.208   2.791   1.175
+ 1040TIP3    H137521  -1.227   2.698   1.193
+ 1040TIP3    H237522  -1.129   2.808   1.230
+ 1040TIP3   OH237523  -0.984   2.853  -0.513
+ 1040TIP3    H137524  -0.938   2.788  -0.457
+ 1040TIP3    H237525  -0.909   2.881  -0.568
+ 1040TIP3   OH237526  -2.321   2.420   1.260
+ 1040TIP3    H137527  -2.302   2.334   1.219
+ 1040TIP3    H237528  -2.391   2.453   1.201
+ 1040TIP3   OH237529  -1.890   2.472  -0.533
+ 1040TIP3    H137530  -1.883   2.398  -0.469
+ 1040TIP3    H237531  -1.809   2.457  -0.586
+ 1040TIP3   OH237532  -1.369   2.596  -0.555
+ 1040TIP3    H137533  -1.366   2.589  -0.459
+ 1040TIP3    H237534  -1.371   2.502  -0.582
+ 1040TIP3   OH237535  -2.227   2.131   1.169
+ 1040TIP3    H137536  -2.160   2.061   1.170
+ 1040TIP3    H237537  -2.230   2.155   1.263
+ 1041TIP3   OH237538  -1.808   2.251  -0.351
+ 1041TIP3    H137539  -1.826   2.218  -0.262
+ 1041TIP3    H237540  -1.759   2.176  -0.389
+ 1041TIP3   OH237541  -1.824   2.054   0.922
+ 1041TIP3    H137542  -1.893   2.115   0.949
+ 1041TIP3    H237543  -1.819   2.070   0.827
+ 1041TIP3   OH237544  -1.674   2.051  -0.491
+ 1041TIP3    H137545  -1.688   2.073  -0.585
+ 1041TIP3    H237546  -1.582   2.078  -0.476
+ 1041TIP3   OH237547  -0.759   2.289  -0.535
+ 1041TIP3    H137548  -0.773   2.285  -0.631
+ 1041TIP3    H237549  -0.728   2.381  -0.525
+ 1041TIP3   OH237550  -1.036   2.215   1.127
+ 1041TIP3    H137551  -1.069   2.294   1.085
+ 1041TIP3    H237552  -0.946   2.209   1.089
+ 1041TIP3   OH237553  -1.961   1.942   1.194
+ 1041TIP3    H137554  -2.023   1.867   1.187
+ 1041TIP3    H237555  -1.891   1.917   1.132
+ 1041TIP3   OH237556  -2.120   1.706   1.185
+ 1041TIP3    H137557  -2.125   1.634   1.120
+ 1041TIP3    H237558  -2.140   1.660   1.268
+ 1041TIP3   OH237559  -1.636   1.469   1.297
+ 1041TIP3    H137560  -1.637   1.432   1.208
+ 1041TIP3    H237561  -1.678   1.556   1.286
+ 1041TIP3   OH237562  -1.716   3.187  -0.373
+ 1041TIP3    H137563  -1.622   3.203  -0.356
+ 1041TIP3    H237564  -1.728   3.239  -0.453
+ 1041TIP3   OH237565  -2.315   2.641  -0.423
+ 1041TIP3    H137566  -2.220   2.652  -0.404
+ 1041TIP3    H237567  -2.315   2.559  -0.478
+ 1042TIP3   OH237568  -2.424   3.157   0.052
+ 1042TIP3    H137569  -2.496   3.118  -0.002
+ 1042TIP3    H237570  -2.413   3.088   0.121
+ 1042TIP3   OH237571  -2.386   2.958   0.251
+ 1042TIP3    H137572  -2.414   2.871   0.283
+ 1042TIP3    H237573  -2.348   2.993   0.333
+ 1042TIP3   OH237574  -0.635   3.088   0.549
+ 1042TIP3    H137575  -0.617   3.076   0.643
+ 1042TIP3    H237576  -0.547   3.110   0.515
+ 1042TIP3   OH237577  -0.648   3.023   0.839
+ 1042TIP3    H137578  -0.694   2.947   0.800
+ 1042TIP3    H237579  -0.589   2.978   0.901
+ 1042TIP3   OH237580  -0.848   2.567   1.271
+ 1042TIP3    H137581  -0.929   2.573   1.324
+ 1042TIP3    H237582  -0.799   2.647   1.299
+ 1042TIP3   OH237583  -0.830   2.774   0.753
+ 1042TIP3    H137584  -0.891   2.829   0.807
+ 1042TIP3    H237585  -0.878   2.769   0.669
+ 1042TIP3   OH237586  -2.365   2.292   0.496
+ 1042TIP3    H137587  -2.344   2.292   0.401
+ 1042TIP3    H237588  -2.277   2.270   0.533
+ 1042TIP3   OH237589  -0.773   2.256   1.031
+ 1042TIP3    H137590  -0.721   2.187   1.074
+ 1042TIP3    H237591  -0.720   2.336   1.041
+ 1042TIP3   OH237592  -2.379   1.827   1.126
+ 1042TIP3    H137593  -2.286   1.800   1.130
+ 1042TIP3    H237594  -2.424   1.741   1.133
+ 1042TIP3   OH237595  -2.274   1.666   0.421
+ 1042TIP3    H137596  -2.229   1.578   0.422
+ 1042TIP3    H237597  -2.210   1.718   0.471
+ 1043TIP3   OH237598  -2.453   1.934   0.505
+ 1043TIP3    H137599  -2.384   1.920   0.438
+ 1043TIP3    H237600  -2.414   2.006   0.556
+ 1043TIP3   OH237601  -0.623   1.587   1.163
+ 1043TIP3    H137602  -0.717   1.607   1.180
+ 1043TIP3    H237603  -0.627   1.506   1.112
+ 1043TIP3   OH237604  -2.404   1.569  -0.072
+ 1043TIP3    H137605  -2.495   1.565  -0.102
+ 1043TIP3    H237606  -2.355   1.600  -0.150
+ 1043TIP3   OH237607  -0.938   3.092   0.130
+ 1043TIP3    H137608  -0.893   3.066   0.048
+ 1043TIP3    H237609  -0.864   3.124   0.184
+ 1043TIP3   OH237610  -2.397   1.435   0.732
+ 1043TIP3    H137611  -2.465   1.422   0.799
+ 1043TIP3    H237612  -2.441   1.496   0.670
+ 1043TIP3   OH237613  -2.195   2.742   1.189
+ 1043TIP3    H137614  -2.269   2.759   1.130
+ 1043TIP3    H237615  -2.231   2.758   1.276
+ 1043TIP3   OH237616  -1.485   2.981   1.054
+ 1043TIP3    H137617  -1.466   2.939   1.139
+ 1043TIP3    H237618  -1.396   3.007   1.023
+ 1043TIP3   OH237619  -1.240   3.130   0.990
+ 1043TIP3    H137620  -1.177   3.057   0.977
+ 1043TIP3    H237621  -1.215   3.160   1.080
+ 1043TIP3   OH237622  -2.183   3.152   0.805
+ 1043TIP3    H137623  -2.239   3.218   0.761
+ 1043TIP3    H237624  -2.215   3.160   0.896
+ 1043TIP3   OH237625  -1.920   3.096   0.654
+ 1043TIP3    H137626  -2.001   3.105   0.707
+ 1043TIP3    H237627  -1.922   3.173   0.597
+ 1044TIP3   OH237628  -1.443   3.129   0.611
+ 1044TIP3    H137629  -1.501   3.168   0.544
+ 1044TIP3    H237630  -1.452   3.191   0.685
+ 1044TIP3   OH237631  -1.213   2.991   0.699
+ 1044TIP3    H137632  -1.303   3.018   0.671
+ 1044TIP3    H237633  -1.168   3.077   0.701
+ 1044TIP3   OH237634  -0.965   3.172   0.725
+ 1044TIP3    H137635  -0.974   3.267   0.704
+ 1044TIP3    H237636  -0.940   3.137   0.638
+ 1044TIP3   OH237637  -2.221   3.032   0.499
+ 1044TIP3    H137638  -2.221   2.986   0.586
+ 1044TIP3    H237639  -2.143   2.989   0.457
+ 1044TIP3   OH237640  -2.017   2.905   0.347
+ 1044TIP3    H137641  -2.028   2.812   0.375
+ 1044TIP3    H237642  -1.927   2.924   0.380
+ 1044TIP3   OH237643  -1.740   2.946   0.441
+ 1044TIP3    H137644  -1.712   2.857   0.418
+ 1044TIP3    H237645  -1.748   2.943   0.537
+ 1044TIP3   OH237646  -2.161   1.379   0.124
+ 1044TIP3    H137647  -2.248   1.367   0.082
+ 1044TIP3    H237648  -2.119   1.293   0.108
+ 1044TIP3   OH237649  -2.278   2.960  -0.178
+ 1044TIP3    H137650  -2.341   2.950  -0.250
+ 1044TIP3    H237651  -2.277   3.056  -0.169
+ 1044TIP3   OH237652  -2.104   1.551  -0.470
+ 1044TIP3    H137653  -2.057   1.467  -0.478
+ 1044TIP3    H237654  -2.078   1.577  -0.380
+ 1044TIP3   OH237655  -1.609   1.531  -0.191
+ 1044TIP3    H137656  -1.567   1.518  -0.105
+ 1044TIP3    H237657  -1.544   1.492  -0.250
+ 1045TIP3   OH237658  -1.399   3.169  -0.384
+ 1045TIP3    H137659  -1.304   3.149  -0.376
+ 1045TIP3    H237660  -1.431   3.086  -0.424
+ 1045TIP3   OH237661  -0.779   3.031  -0.117
+ 1045TIP3    H137662  -0.763   2.944  -0.156
+ 1045TIP3    H237663  -0.757   3.090  -0.191
+ 1045TIP3   OH237664  -2.194   1.439   1.065
+ 1045TIP3    H137665  -2.236   1.358   1.100
+ 1045TIP3    H237666  -2.101   1.424   1.088
+ 1045TIP3   OH237667  -1.959   1.376   1.241
+ 1045TIP3    H137668  -1.875   1.338   1.213
+ 1045TIP3    H237669  -1.998   1.298   1.284
+ 1045TIP3   OH237670  -2.135   3.051  -0.498
+ 1045TIP3    H137671  -2.156   3.083  -0.409
+ 1045TIP3    H237672  -2.052   3.002  -0.484
+ 1045TIP3   OH237673  -0.810   2.922   1.127
+ 1045TIP3    H137674  -0.885   2.901   1.070
+ 1045TIP3    H237675  -0.828   3.016   1.149
+ 1045TIP3   OH237676   0.621   2.294   0.135
+ 1045TIP3    H137677   0.611   2.391   0.134
+ 1045TIP3    H237678   0.539   2.263   0.095
+ 1045TIP3   OH237679   0.496   2.234   0.446
+ 1045TIP3    H137680   0.497   2.173   0.521
+ 1045TIP3    H237681   0.464   2.175   0.376
+ 1045TIP3   OH237682   0.865   2.510   0.283
+ 1045TIP3    H137683   0.830   2.434   0.331
+ 1045TIP3    H237684   0.891   2.568   0.355
+ 1045TIP3   OH237685  -0.181   2.634   0.462
+ 1045TIP3    H137686  -0.201   2.557   0.408
+ 1045TIP3    H237687  -0.087   2.621   0.483
+ 1046TIP3   OH237688   0.572   3.045   0.340
+ 1046TIP3    H137689   0.630   2.973   0.308
+ 1046TIP3    H237690   0.543   3.010   0.426
+ 1046TIP3   OH237691   0.347   2.486   0.503
+ 1046TIP3    H137692   0.380   2.409   0.453
+ 1046TIP3    H237693   0.427   2.503   0.556
+ 1046TIP3   OH237694   0.587   2.568   0.023
+ 1046TIP3    H137695   0.577   2.559  -0.073
+ 1046TIP3    H237696   0.557   2.660   0.038
+ 1046TIP3   OH237697   0.142   2.361   0.686
+ 1046TIP3    H137698   0.056   2.405   0.690
+ 1046TIP3    H237699   0.196   2.422   0.633
+ 1046TIP3   OH237700  -0.057   2.571   0.770
+ 1046TIP3    H137701  -0.053   2.661   0.734
+ 1046TIP3    H237702  -0.143   2.574   0.815
+ 1046TIP3   OH237703   0.921   2.690   0.533
+ 1046TIP3    H137704   0.824   2.700   0.535
+ 1046TIP3    H237705   0.947   2.776   0.496
+ 1046TIP3   OH237706   0.751   2.883   0.192
+ 1046TIP3    H137707   0.798   2.803   0.161
+ 1046TIP3    H237708   0.818   2.952   0.177
+ 1046TIP3   OH237709   0.890   2.673   0.053
+ 1046TIP3    H137710   0.855   2.619  -0.019
+ 1046TIP3    H237711   0.890   2.608   0.126
+ 1046TIP3   OH237712   1.051   2.552   0.900
+ 1046TIP3    H137713   1.036   2.486   0.830
+ 1046TIP3    H237714   1.063   2.634   0.849
+ 1046TIP3   OH237715   1.231   2.169   0.720
+ 1046TIP3    H137716   1.140   2.201   0.718
+ 1046TIP3    H237717   1.257   2.174   0.627
+ 1047TIP3   OH237718   0.832   2.247  -0.027
+ 1047TIP3    H137719   0.762   2.263   0.040
+ 1047TIP3    H237720   0.879   2.173   0.011
+ 1047TIP3   OH237721   0.844   2.065   0.856
+ 1047TIP3    H137722   0.836   2.137   0.919
+ 1047TIP3    H237723   0.774   2.088   0.793
+ 1047TIP3   OH237724   0.121   2.659   0.424
+ 1047TIP3    H137725   0.118   2.617   0.337
+ 1047TIP3    H237726   0.200   2.617   0.463
+ 1047TIP3   OH237727   0.637   2.753   0.562
+ 1047TIP3    H137728   0.643   2.817   0.635
+ 1047TIP3    H237729   0.620   2.669   0.608
+ 1047TIP3   OH237730   0.131   2.634   0.988
+ 1047TIP3    H137731   0.078   2.699   1.036
+ 1047TIP3    H237732   0.069   2.605   0.918
+ 1047TIP3   OH237733   0.703   2.154  -0.279
+ 1047TIP3    H137734   0.752   2.164  -0.197
+ 1047TIP3    H237735   0.758   2.202  -0.343
+ 1047TIP3   OH237736  -0.211   2.239   0.899
+ 1047TIP3    H137737  -0.181   2.303   0.965
+ 1047TIP3    H237738  -0.287   2.282   0.862
+ 1047TIP3   OH237739   0.471   2.848   0.078
+ 1047TIP3    H137740   0.515   2.876   0.159
+ 1047TIP3    H237741   0.418   2.925   0.054
+ 1047TIP3   OH237742  -0.061   2.853   1.070
+ 1047TIP3    H137743  -0.071   2.854   0.973
+ 1047TIP3    H237744  -0.148   2.823   1.101
+ 1047TIP3   OH237745   1.203   2.774  -0.473
+ 1047TIP3    H137746   1.220   2.868  -0.449
+ 1047TIP3    H237747   1.291   2.734  -0.456
+ 1048TIP3   OH237748  -0.516   2.455   0.771
+ 1048TIP3    H137749  -0.545   2.474   0.680
+ 1048TIP3    H237750  -0.521   2.360   0.774
+ 1048TIP3   OH237751   1.328   2.814   1.050
+ 1048TIP3    H137752   1.317   2.718   1.034
+ 1048TIP3    H237753   1.237   2.838   1.080
+ 1048TIP3   OH237754   0.393   2.739   0.931
+ 1048TIP3    H137755   0.400   2.821   0.984
+ 1048TIP3    H237756   0.303   2.708   0.954
+ 1048TIP3   OH237757   0.419   3.120  -0.070
+ 1048TIP3    H137758   0.422   3.127  -0.167
+ 1048TIP3    H237759   0.428   3.212  -0.041
+ 1048TIP3   OH237760  -0.208   3.029   0.093
+ 1048TIP3    H137761  -0.187   2.982   0.175
+ 1048TIP3    H237762  -0.283   2.975   0.061
+ 1048TIP3   OH237763   0.752   3.061  -0.354
+ 1048TIP3    H137764   0.809   2.995  -0.398
+ 1048TIP3    H237765   0.747   3.024  -0.263
+ 1048TIP3   OH237766   0.691   3.004  -0.072
+ 1048TIP3    H137767   0.596   3.014  -0.058
+ 1048TIP3    H237768   0.710   2.931  -0.011
+ 1048TIP3   OH237769   1.009   1.940   1.079
+ 1048TIP3    H137770   0.955   1.977   1.006
+ 1048TIP3    H237771   1.005   1.846   1.060
+ 1048TIP3   OH237772  -0.298   2.618   0.906
+ 1048TIP3    H137773  -0.266   2.570   0.986
+ 1048TIP3    H237774  -0.368   2.561   0.871
+ 1048TIP3   OH237775   0.862   2.287  -0.468
+ 1048TIP3    H137776   0.858   2.267  -0.563
+ 1048TIP3    H237777   0.956   2.310  -0.458
+ 1049TIP3   OH237778   0.482   2.030   1.127
+ 1049TIP3    H137779   0.437   1.947   1.152
+ 1049TIP3    H237780   0.573   2.012   1.158
+ 1049TIP3   OH237781  -0.226   1.882   0.846
+ 1049TIP3    H137782  -0.156   1.950   0.854
+ 1049TIP3    H237783  -0.226   1.864   0.752
+ 1049TIP3   OH237784   0.583   2.098   0.710
+ 1049TIP3    H137785   0.608   2.024   0.652
+ 1049TIP3    H237786   0.540   2.055   0.785
+ 1049TIP3   OH237787   1.019   3.201   1.183
+ 1049TIP3    H137788   1.042   3.245   1.099
+ 1049TIP3    H237789   1.091   3.231   1.242
+ 1049TIP3   OH237790  -0.190   2.461   1.114
+ 1049TIP3    H137791  -0.119   2.466   1.181
+ 1049TIP3    H237792  -0.267   2.457   1.174
+ 1049TIP3   OH237793   0.352   1.974   0.413
+ 1049TIP3    H137794   0.409   1.934   0.346
+ 1049TIP3    H237795   0.341   1.906   0.479
+ 1049TIP3   OH237796   1.005   2.371   0.684
+ 1049TIP3    H137797   1.065   2.416   0.620
+ 1049TIP3    H237798   0.928   2.352   0.628
+ 1049TIP3   OH237799   0.465   2.457   0.942
+ 1049TIP3    H137800   0.431   2.414   1.021
+ 1049TIP3    H237801   0.427   2.545   0.947
+ 1049TIP3   OH237802   0.513   2.576  -0.292
+ 1049TIP3    H137803   0.484   2.663  -0.257
+ 1049TIP3    H237804   0.438   2.519  -0.270
+ 1049TIP3   OH237805   0.235   2.167   1.123
+ 1049TIP3    H137806   0.196   2.140   1.037
+ 1049TIP3    H237807   0.327   2.137   1.111
+ 1050TIP3   OH237808   0.685   2.715   0.887
+ 1050TIP3    H137809   0.588   2.715   0.883
+ 1050TIP3    H237810   0.700   2.731   0.981
+ 1050TIP3   OH237811   1.284   2.520   1.046
+ 1050TIP3    H137812   1.189   2.536   1.028
+ 1050TIP3    H237813   1.315   2.496   0.956
+ 1050TIP3   OH237814   1.058   2.774  -0.222
+ 1050TIP3    H137815   1.025   2.697  -0.173
+ 1050TIP3    H237816   1.111   2.736  -0.292
+ 1050TIP3   OH237817   0.798   2.280   0.491
+ 1050TIP3    H137818   0.702   2.270   0.477
+ 1050TIP3    H237819   0.829   2.191   0.470
+ 1050TIP3   OH237820   0.052   2.688   0.099
+ 1050TIP3    H137821   0.100   2.772   0.100
+ 1050TIP3    H237822  -0.039   2.716   0.105
+ 1050TIP3   OH237823   0.244   2.910   0.716
+ 1050TIP3    H137824   0.301   2.984   0.688
+ 1050TIP3    H237825   0.305   2.859   0.772
+ 1050TIP3   OH237826   0.090   3.000   0.043
+ 1050TIP3    H137827  -0.006   3.012   0.050
+ 1050TIP3    H237828   0.123   3.089   0.065
+ 1050TIP3   OH237829   0.597   2.479   0.672
+ 1050TIP3    H137830   0.559   2.456   0.758
+ 1050TIP3    H237831   0.668   2.414   0.664
+ 1050TIP3   OH237832   0.794   2.614  -0.428
+ 1050TIP3    H137833   0.842   2.569  -0.356
+ 1050TIP3    H237834   0.703   2.594  -0.403
+ 1050TIP3   OH237835   0.880   2.942   0.914
+ 1050TIP3    H137836   0.805   2.894   0.874
+ 1050TIP3    H237837   0.888   3.020   0.855
+ 1051TIP3   OH237838   1.276   3.041  -0.381
+ 1051TIP3    H137839   1.346   3.105  -0.403
+ 1051TIP3    H237840   1.200   3.101  -0.381
+ 1051TIP3   OH237841   0.919   2.483  -0.190
+ 1051TIP3    H137842   0.875   2.404  -0.152
+ 1051TIP3    H237843   1.012   2.462  -0.170
+ 1051TIP3   OH237844  -0.363   2.858   0.719
+ 1051TIP3    H137845  -0.335   2.766   0.724
+ 1051TIP3    H237846  -0.334   2.891   0.805
+ 1051TIP3   OH237847   0.223   2.716  -0.578
+ 1051TIP3    H137848   0.250   2.635  -0.626
+ 1051TIP3    H237849   0.194   2.678  -0.493
+ 1051TIP3   OH237850   0.141   2.655  -0.305
+ 1051TIP3    H137851   0.162   2.608  -0.223
+ 1051TIP3    H237852   0.132   2.747  -0.274
+ 1051TIP3   OH237853   0.410   2.835  -0.242
+ 1051TIP3    H137854   0.324   2.879  -0.227
+ 1051TIP3    H237855   0.442   2.881  -0.321
+ 1051TIP3   OH237856   0.372   1.878   0.885
+ 1051TIP3    H137857   0.392   1.952   0.943
+ 1051TIP3    H237858   0.449   1.821   0.896
+ 1051TIP3   OH237859   0.127   2.935  -0.244
+ 1051TIP3    H137860   0.119   3.017  -0.297
+ 1051TIP3    H237861   0.112   2.968  -0.154
+ 1051TIP3   OH237862   0.983   2.969   0.501
+ 1051TIP3    H137863   0.967   3.052   0.451
+ 1051TIP3    H237864   1.075   2.981   0.527
+ 1051TIP3   OH237865  -0.371   2.790   0.043
+ 1051TIP3    H137866  -0.466   2.793   0.023
+ 1051TIP3    H237867  -0.335   2.806  -0.045
+ 1052TIP3   OH237868  -0.426   3.059   1.143
+ 1052TIP3    H137869  -0.368   3.031   1.216
+ 1052TIP3    H237870  -0.464   2.974   1.114
+ 1052TIP3   OH237871   0.043   2.966   1.321
+ 1052TIP3    H137872   0.112   2.901   1.342
+ 1052TIP3    H237873   0.021   2.939   1.230
+ 1052TIP3   OH237874   0.448   2.888  -0.527
+ 1052TIP3    H137875   0.373   2.826  -0.538
+ 1052TIP3    H237876   0.520   2.836  -0.565
+ 1052TIP3   OH237877   0.689   2.793   1.181
+ 1052TIP3    H137878   0.651   2.711   1.216
+ 1052TIP3    H237879   0.760   2.812   1.245
+ 1052TIP3   OH237880   0.911   2.880  -0.518
+ 1052TIP3    H137881   0.927   2.800  -0.465
+ 1052TIP3    H237882   0.991   2.884  -0.573
+ 1052TIP3   OH237883  -0.431   2.430   1.252
+ 1052TIP3    H137884  -0.416   2.336   1.229
+ 1052TIP3    H237885  -0.510   2.451   1.200
+ 1052TIP3   OH237886   0.231   2.444   1.191
+ 1052TIP3    H137887   0.205   2.474   1.103
+ 1052TIP3    H237888   0.245   2.348   1.178
+ 1052TIP3   OH237889   0.512   2.588  -0.581
+ 1052TIP3    H137890   0.504   2.584  -0.485
+ 1052TIP3    H237891   0.500   2.494  -0.605
+ 1052TIP3   OH237892   0.767   2.405   0.929
+ 1052TIP3    H137893   0.846   2.456   0.905
+ 1052TIP3    H237894   0.697   2.472   0.926
+ 1052TIP3   OH237895  -0.337   2.160   1.196
+ 1052TIP3    H137896  -0.266   2.094   1.183
+ 1052TIP3    H237897  -0.336   2.168   1.293
+ 1053TIP3   OH237898   0.026   2.059   0.905
+ 1053TIP3    H137899  -0.032   2.135   0.923
+ 1053TIP3    H237900   0.084   2.095   0.835
+ 1053TIP3   OH237901   0.552   2.319   1.272
+ 1053TIP3    H137902   0.640   2.299   1.238
+ 1053TIP3    H237903   0.525   2.233   1.307
+ 1053TIP3   OH237904   1.141   2.320  -0.553
+ 1053TIP3    H137905   1.122   2.283  -0.640
+ 1053TIP3    H237906   1.137   2.416  -0.572
+ 1053TIP3   OH237907   0.075   1.791   1.040
+ 1053TIP3    H137908   0.058   1.717   0.980
+ 1053TIP3    H237909   0.069   1.868   0.980
+ 1053TIP3   OH237910   0.294   2.179   0.817
+ 1053TIP3    H137911   0.366   2.169   0.753
+ 1053TIP3    H237912   0.242   2.250   0.774
+ 1053TIP3   OH237913   0.728   1.965   1.301
+ 1053TIP3    H137914   0.746   1.870   1.298
+ 1053TIP3    H237915   0.817   2.002   1.287
+ 1053TIP3   OH237916   0.824   2.228   1.128
+ 1053TIP3    H137917   0.788   2.289   1.061
+ 1053TIP3    H237918   0.918   2.224   1.098
+ 1053TIP3   OH237919  -0.108   1.954   1.203
+ 1053TIP3    H137920  -0.168   1.878   1.204
+ 1053TIP3    H237921  -0.030   1.918   1.157
+ 1053TIP3   OH237922   0.327   1.805   1.185
+ 1053TIP3    H137923   0.292   1.788   1.274
+ 1053TIP3    H237924   0.245   1.798   1.132
+ 1053TIP3   OH237925   0.586   1.731   1.058
+ 1053TIP3    H137926   0.500   1.730   1.102
+ 1053TIP3    H237927   0.635   1.660   1.103
+ 1054TIP3   OH237928   0.749   1.527   1.251
+ 1054TIP3    H137929   0.739   1.436   1.281
+ 1054TIP3    H237930   0.731   1.579   1.331
+ 1054TIP3   OH237931  -0.287   1.694   1.153
+ 1054TIP3    H137932  -0.236   1.620   1.121
+ 1054TIP3    H237933  -0.296   1.670   1.248
+ 1054TIP3   OH237934   0.266   1.499   1.304
+ 1054TIP3    H137935   0.268   1.447   1.223
+ 1054TIP3    H237936   0.197   1.567   1.288
+ 1054TIP3   OH237937   0.172   3.196  -0.374
+ 1054TIP3    H137938   0.267   3.207  -0.362
+ 1054TIP3    H237939   0.159   3.242  -0.458
+ 1054TIP3   OH237940  -0.429   2.661  -0.458
+ 1054TIP3    H137941  -0.368   2.651  -0.384
+ 1054TIP3    H237942  -0.462   2.570  -0.470
+ 1054TIP3   OH237943  -0.552   3.149   0.045
+ 1054TIP3    H137944  -0.623   3.104  -0.003
+ 1054TIP3    H237945  -0.531   3.083   0.114
+ 1054TIP3   OH237946  -0.509   2.964   0.261
+ 1054TIP3    H137947  -0.522   2.869   0.271
+ 1054TIP3    H237948  -0.461   2.987   0.342
+ 1054TIP3   OH237949   1.256   3.086   0.551
+ 1054TIP3    H137950   1.271   3.082   0.647
+ 1054TIP3    H237951   1.343   3.115   0.520
+ 1054TIP3   OH237952   1.247   3.029   0.839
+ 1054TIP3    H137953   1.193   2.955   0.804
+ 1054TIP3    H237954   1.299   2.982   0.905
+ 1054TIP3   OH237955   1.046   2.572   1.269
+ 1054TIP3    H137956   0.957   2.578   1.308
+ 1054TIP3    H237957   1.090   2.652   1.301
+ 1055TIP3   OH237958   1.191   2.418  -0.120
+ 1055TIP3    H137959   1.279   2.457  -0.105
+ 1055TIP3    H237960   1.189   2.346  -0.055
+ 1055TIP3   OH237961   1.205   2.507   0.538
+ 1055TIP3    H137962   1.264   2.453   0.482
+ 1055TIP3    H237963   1.219   2.596   0.503
+ 1055TIP3   OH237964   1.077   2.803   0.760
+ 1055TIP3    H137965   1.002   2.838   0.812
+ 1055TIP3    H237966   1.031   2.763   0.684
+ 1055TIP3   OH237967   1.264   2.194  -0.301
+ 1055TIP3    H137968   1.202   2.206  -0.374
+ 1055TIP3    H237969   1.240   2.265  -0.240
+ 1055TIP3   OH237970   1.131   1.934  -0.488
+ 1055TIP3    H137971   1.095   2.001  -0.545
+ 1055TIP3    H237972   1.072   1.858  -0.499
+ 1055TIP3   OH237973   1.039   2.041   0.177
+ 1055TIP3    H137974   1.043   1.985   0.097
+ 1055TIP3    H237975   0.961   2.095   0.167
+ 1055TIP3   OH237976   1.091   2.265   1.054
+ 1055TIP3    H137977   1.160   2.196   1.047
+ 1055TIP3    H237978   1.137   2.343   1.020
+ 1055TIP3   OH237979   1.247   2.051   1.158
+ 1055TIP3    H137980   1.164   2.007   1.128
+ 1055TIP3    H237981   1.312   1.982   1.135
+ 1055TIP3   OH237982   1.350   1.419   1.281
+ 1055TIP3    H137983   1.330   1.324   1.286
+ 1055TIP3    H237984   1.289   1.452   1.216
+ 1055TIP3   OH237985   0.943   3.094   0.131
+ 1055TIP3    H137986   0.990   3.065   0.051
+ 1055TIP3    H237987   1.016   3.124   0.187
+ 1056TIP3   OH237988  -0.314   2.760   1.203
+ 1056TIP3    H137989  -0.388   2.759   1.141
+ 1056TIP3    H237990  -0.359   2.755   1.289
+ 1056TIP3   OH237991  -0.033   2.858   0.771
+ 1056TIP3    H137992  -0.062   2.944   0.736
+ 1056TIP3    H237993   0.063   2.866   0.754
+ 1056TIP3   OH237994   0.418   2.992   1.074
+ 1056TIP3    H137995   0.434   2.971   1.168
+ 1056TIP3    H237996   0.502   3.033   1.048
+ 1056TIP3   OH237997   0.649   3.136   0.996
+ 1056TIP3    H137998   0.716   3.070   0.973
+ 1056TIP3    H237999   0.679   3.165   1.084
+ 1056TIP3   OH238000  -0.293   3.155   0.805
+ 1056TIP3    H138001  -0.354   3.216   0.760
+ 1056TIP3    H238002  -0.328   3.157   0.895
+ 1056TIP3   OH238003  -0.044   3.132   0.661
+ 1056TIP3    H138004  -0.130   3.149   0.704
+ 1056TIP3    H238005  -0.042   3.200   0.592
+ 1056TIP3   OH238006   0.430   3.131   0.616
+ 1056TIP3    H138007   0.391   3.176   0.538
+ 1056TIP3    H238008   0.438   3.205   0.679
+ 1056TIP3   OH238009   0.664   3.004   0.708
+ 1056TIP3    H138010   0.579   3.038   0.674
+ 1056TIP3    H238011   0.719   3.083   0.706
+ 1056TIP3   OH238012   0.918   3.176   0.727
+ 1056TIP3    H138013   0.913   3.271   0.704
+ 1056TIP3    H238014   0.944   3.138   0.642
+ 1056TIP3   OH238015  -0.339   3.031   0.496
+ 1056TIP3    H138016  -0.346   2.980   0.580
+ 1056TIP3    H238017  -0.261   2.987   0.455
+ 1057TIP3   OH238018  -0.134   2.898   0.344
+ 1057TIP3    H138019  -0.149   2.806   0.371
+ 1057TIP3    H238020  -0.044   2.915   0.376
+ 1057TIP3   OH238021   0.142   2.957   0.432
+ 1057TIP3    H138022   0.162   2.864   0.410
+ 1057TIP3    H238023   0.149   2.953   0.529
+ 1057TIP3   OH238024  -0.381   2.958  -0.190
+ 1057TIP3    H138025  -0.457   2.939  -0.247
+ 1057TIP3    H238026  -0.394   3.052  -0.172
+ 1057TIP3   OH238027   0.477   3.145  -0.367
+ 1057TIP3    H138028   0.574   3.145  -0.370
+ 1057TIP3    H238029   0.456   3.078  -0.434
+ 1057TIP3   OH238030   1.126   3.046  -0.107
+ 1057TIP3    H138031   1.104   2.961  -0.150
+ 1057TIP3    H238032   1.124   3.106  -0.183
+ 1057TIP3   OH238033  -0.094   1.378   1.252
+ 1057TIP3    H138034  -0.019   1.334   1.210
+ 1057TIP3    H238035  -0.141   1.304   1.292
+ 1057TIP3   OH238036  -0.244   3.059  -0.498
+ 1057TIP3    H138037  -0.274   3.078  -0.408
+ 1057TIP3    H238038  -0.165   3.005  -0.482
+ 1057TIP3   OH238039   1.077   2.924   1.130
+ 1057TIP3    H138040   1.004   2.902   1.070
+ 1057TIP3    H238041   1.058   3.017   1.151
+ 1057TIP3   OH238042   2.497   2.294   0.148
+ 1057TIP3    H138043   2.495   2.391   0.147
+ 1057TIP3    H238044   2.427   2.271   0.085
+ 1057TIP3   OH238045   2.368   2.241   0.453
+ 1057TIP3    H138046   2.376   2.181   0.529
+ 1057TIP3    H238047   2.358   2.177   0.381
+ 1058TIP3   OH238048   1.625   2.196   0.621
+ 1058TIP3    H138049   1.625   2.117   0.677
+ 1058TIP3    H238050   1.702   2.243   0.655
+ 1058TIP3   OH238051   2.749   2.510   0.283
+ 1058TIP3    H138052   2.712   2.436   0.335
+ 1058TIP3    H238053   2.779   2.569   0.353
+ 1058TIP3   OH238054   1.725   2.649   0.453
+ 1058TIP3    H138055   1.682   2.564   0.428
+ 1058TIP3    H238056   1.788   2.615   0.518
+ 1058TIP3   OH238057   1.468   2.240   0.218
+ 1058TIP3    H138058   1.454   2.145   0.230
+ 1058TIP3    H238059   1.530   2.240   0.145
+ 1058TIP3   OH238060   2.453   3.042   0.339
+ 1058TIP3    H138061   2.514   2.972   0.308
+ 1058TIP3    H238062   2.431   3.011   0.428
+ 1058TIP3   OH238063   2.220   2.495   0.490
+ 1058TIP3    H138064   2.253   2.413   0.450
+ 1058TIP3    H238065   2.295   2.516   0.547
+ 1058TIP3   OH238066   3.098   1.635   0.576
+ 1058TIP3    H138067   3.120   1.698   0.646
+ 1058TIP3    H238068   3.154   1.667   0.503
+ 1058TIP3   OH238069   2.576   1.908   0.561
+ 1058TIP3    H138070   2.541   1.817   0.571
+ 1058TIP3    H238071   2.553   1.922   0.468
+ 1058TIP3   OH238072   2.659   1.734   0.089
+ 1058TIP3    H138073   2.702   1.702   0.171
+ 1058TIP3    H238074   2.728   1.789   0.050
+ 1058TIP3   OH238075   1.611   1.985   0.348
+ 1058TIP3    H138076   1.644   1.917   0.407
+ 1058TIP3    H238077   1.571   1.936   0.275
+ 1059TIP3   OH238078   2.067   2.135   0.267
+ 1059TIP3    H138079   2.138   2.081   0.306
+ 1059TIP3    H238080   2.017   2.067   0.218
+ 1059TIP3   OH238081   3.172   1.777   0.821
+ 1059TIP3    H138082   3.112   1.847   0.791
+ 1059TIP3    H238083   3.144   1.769   0.914
+ 1059TIP3   OH238084   2.469   2.566   0.025
+ 1059TIP3    H138085   2.469   2.554  -0.071
+ 1059TIP3    H238086   2.445   2.660   0.034
+ 1059TIP3   OH238087   2.036   2.389   0.698
+ 1059TIP3    H138088   1.958   2.443   0.722
+ 1059TIP3    H238089   2.092   2.453   0.651
+ 1059TIP3   OH238090   2.834   1.660   0.306
+ 1059TIP3    H138091   2.786   1.597   0.361
+ 1059TIP3    H238092   2.872   1.721   0.370
+ 1059TIP3   OH238093   1.827   2.577   0.756
+ 1059TIP3    H138094   1.823   2.674   0.747
+ 1059TIP3    H238095   1.745   2.560   0.806
+ 1059TIP3   OH238096   1.457   2.542  -0.146
+ 1059TIP3    H138097   1.431   2.590  -0.227
+ 1059TIP3    H238098   1.470   2.614  -0.081
+ 1059TIP3   OH238099   2.806   2.689   0.532
+ 1059TIP3    H138100   2.709   2.701   0.535
+ 1059TIP3    H238101   2.834   2.776   0.496
+ 1059TIP3   OH238102   2.824   1.580   0.679
+ 1059TIP3    H138103   2.753   1.638   0.648
+ 1059TIP3    H238104   2.895   1.597   0.615
+ 1059TIP3   OH238105   2.115   1.331   0.355
+ 1059TIP3    H138106   2.130   1.250   0.404
+ 1059TIP3    H238107   2.068   1.389   0.416
+ 1060TIP3   OH238108   2.633   2.883   0.183
+ 1060TIP3    H138109   2.685   2.804   0.158
+ 1060TIP3    H238110   2.703   2.952   0.179
+ 1060TIP3   OH238111   2.775   2.671   0.054
+ 1060TIP3    H138112   2.740   2.620  -0.020
+ 1060TIP3    H238113   2.775   2.605   0.126
+ 1060TIP3   OH238114   2.937   2.552   0.900
+ 1060TIP3    H138115   2.924   2.487   0.829
+ 1060TIP3    H238116   2.948   2.635   0.850
+ 1060TIP3   OH238117   2.355   2.262  -0.132
+ 1060TIP3    H138118   2.289   2.285  -0.198
+ 1060TIP3    H238119   2.434   2.248  -0.188
+ 1060TIP3   OH238120   2.391   2.060  -0.424
+ 1060TIP3    H138121   2.462   2.091  -0.364
+ 1060TIP3    H238122   2.443   2.005  -0.485
+ 1060TIP3   OH238123   3.112   2.170   0.695
+ 1060TIP3    H138124   3.039   2.234   0.703
+ 1060TIP3    H238125   3.158   2.205   0.616
+ 1060TIP3   OH238126   2.713   2.244  -0.020
+ 1060TIP3    H138127   2.644   2.261   0.048
+ 1060TIP3    H238128   2.771   2.183   0.029
+ 1060TIP3   OH238129   2.698   2.099   0.861
+ 1060TIP3    H138130   2.699   2.182   0.911
+ 1060TIP3    H238131   2.631   2.122   0.795
+ 1060TIP3   OH238132   1.906   2.360   0.146
+ 1060TIP3    H138133   1.855   2.311   0.079
+ 1060TIP3    H238134   1.956   2.287   0.188
+ 1060TIP3   OH238135   1.926   2.206   0.503
+ 1060TIP3    H138136   1.989   2.198   0.430
+ 1060TIP3    H238137   1.975   2.261   0.568
+ 1061TIP3   OH238138   2.522   2.752   0.562
+ 1061TIP3    H138139   2.528   2.818   0.633
+ 1061TIP3    H238140   2.503   2.669   0.609
+ 1061TIP3   OH238141   2.016   2.635   0.986
+ 1061TIP3    H138142   1.965   2.698   1.040
+ 1061TIP3    H238143   1.950   2.605   0.922
+ 1061TIP3   OH238144   2.605   2.190  -0.276
+ 1061TIP3    H138145   2.655   2.214  -0.195
+ 1061TIP3    H238146   2.656   2.238  -0.345
+ 1061TIP3   OH238147   1.708   2.280   0.896
+ 1061TIP3    H138148   1.710   2.327   0.982
+ 1061TIP3    H238149   1.613   2.259   0.888
+ 1061TIP3   OH238150   2.332   2.844   0.095
+ 1061TIP3    H138151   2.404   2.874   0.153
+ 1061TIP3    H238152   2.306   2.926   0.050
+ 1061TIP3   OH238153   1.824   2.852   1.071
+ 1061TIP3    H138154   1.811   2.851   0.974
+ 1061TIP3    H238155   1.737   2.824   1.105
+ 1061TIP3   OH238156   2.927   1.367  -0.335
+ 1061TIP3    H138157   2.860   1.368  -0.267
+ 1061TIP3    H238158   2.979   1.446  -0.315
+ 1061TIP3   OH238159   1.766   2.194  -0.078
+ 1061TIP3    H138160   1.742   2.261  -0.144
+ 1061TIP3    H238161   1.707   2.121  -0.102
+ 1061TIP3   OH238162   3.088   2.774  -0.467
+ 1061TIP3    H138163   3.105   2.868  -0.450
+ 1061TIP3    H238164   3.177   2.735  -0.453
+ 1061TIP3   OH238165   1.372   2.460   0.778
+ 1061TIP3    H138166   1.323   2.457   0.694
+ 1061TIP3    H238167   1.383   2.364   0.796
+ 1062TIP3   OH238168   1.375   2.760   0.471
+ 1062TIP3    H138169   1.464   2.723   0.484
+ 1062TIP3    H238170   1.366   2.814   0.550
+ 1062TIP3   OH238171   3.214   2.815   1.052
+ 1062TIP3    H138172   3.203   2.720   1.033
+ 1062TIP3    H238173   3.123   2.838   1.081
+ 1062TIP3   OH238174   2.278   2.739   0.930
+ 1062TIP3    H138175   2.287   2.820   0.985
+ 1062TIP3    H238176   2.189   2.707   0.956
+ 1062TIP3   OH238177   2.309   3.115  -0.070
+ 1062TIP3    H138178   2.308   3.126  -0.167
+ 1062TIP3    H238179   2.311   3.208  -0.039
+ 1062TIP3   OH238180   1.685   3.034   0.089
+ 1062TIP3    H138181   1.702   2.986   0.173
+ 1062TIP3    H238182   1.603   2.993   0.060
+ 1062TIP3   OH238183   2.639   3.061  -0.353
+ 1062TIP3    H138184   2.697   2.997  -0.398
+ 1062TIP3    H238185   2.634   3.022  -0.263
+ 1062TIP3   OH238186   2.577   3.001  -0.075
+ 1062TIP3    H138187   2.483   3.020  -0.058
+ 1062TIP3    H238188   2.598   2.936  -0.005
+ 1062TIP3   OH238189   2.896   1.951   1.091
+ 1062TIP3    H138190   2.838   1.989   1.023
+ 1062TIP3    H238191   2.895   1.857   1.066
+ 1062TIP3   OH238192   1.589   2.616   0.904
+ 1062TIP3    H138193   1.617   2.570   0.986
+ 1062TIP3    H238194   1.516   2.560   0.872
+ 1062TIP3   OH238195   1.869   1.471   0.474
+ 1062TIP3    H138196   1.780   1.439   0.456
+ 1062TIP3    H238197   1.856   1.537   0.543
+ 1063TIP3   OH238198   2.351   1.420   0.854
+ 1063TIP3    H138199   2.394   1.353   0.911
+ 1063TIP3    H238200   2.257   1.396   0.856
+ 1063TIP3   OH238201   2.674   1.804   0.913
+ 1063TIP3    H138202   2.599   1.783   0.972
+ 1063TIP3    H238203   2.652   1.894   0.883
+ 1063TIP3   OH238204   2.764   2.294  -0.479
+ 1063TIP3    H138205   2.749   2.275  -0.574
+ 1063TIP3    H238206   2.857   2.320  -0.483
+ 1063TIP3   OH238207   2.285   1.651  -0.460
+ 1063TIP3    H138208   2.266   1.665  -0.366
+ 1063TIP3    H238209   2.277   1.555  -0.466
+ 1063TIP3   OH238210   1.866   1.905   0.607
+ 1063TIP3    H138211   1.803   1.923   0.679
+ 1063TIP3    H238212   1.870   1.991   0.562
+ 1063TIP3   OH238213   1.903   1.936   0.113
+ 1063TIP3    H138214   1.807   1.944   0.098
+ 1063TIP3    H238215   1.934   1.918   0.022
+ 1063TIP3   OH238216   2.460   2.017  -0.008
+ 1063TIP3    H138217   2.403   2.082  -0.052
+ 1063TIP3    H238218   2.513   1.982  -0.081
+ 1063TIP3   OH238219   2.368   2.027   1.125
+ 1063TIP3    H138220   2.317   1.950   1.157
+ 1063TIP3    H238221   2.456   2.011   1.163
+ 1063TIP3   OH238222   2.549   1.966   0.264
+ 1063TIP3    H138223   2.509   2.004   0.183
+ 1063TIP3    H238224   2.537   1.870   0.245
+ 1063TIP3   OH238225   1.629   1.939   0.805
+ 1063TIP3    H138226   1.643   1.967   0.897
+ 1063TIP3    H238227   1.564   1.867   0.814
+ 1064TIP3   OH238228   1.430   1.742  -0.259
+ 1064TIP3    H138229   1.499   1.795  -0.299
+ 1064TIP3    H238230   1.375   1.806  -0.211
+ 1064TIP3   OH238231   2.452   2.109   0.710
+ 1064TIP3    H138232   2.494   2.035   0.660
+ 1064TIP3    H238233   2.411   2.060   0.784
+ 1064TIP3   OH238234   2.110   1.685   0.217
+ 1064TIP3    H138235   2.060   1.729   0.287
+ 1064TIP3    H238236   2.194   1.667   0.265
+ 1064TIP3   OH238237   1.629   1.854   0.042
+ 1064TIP3    H138238   1.544   1.902   0.023
+ 1064TIP3    H238239   1.604   1.769   0.005
+ 1064TIP3   OH238240   1.974   1.849  -0.142
+ 1064TIP3    H138241   2.071   1.861  -0.137
+ 1064TIP3    H238242   1.948   1.903  -0.220
+ 1064TIP3   OH238243   1.843   1.993  -0.369
+ 1064TIP3    H138244   1.774   1.960  -0.430
+ 1064TIP3    H238245   1.916   2.011  -0.431
+ 1064TIP3   OH238246   2.906   3.200   1.182
+ 1064TIP3    H138247   2.927   3.245   1.099
+ 1064TIP3    H238248   2.976   3.231   1.241
+ 1064TIP3   OH238249   1.697   2.467   1.126
+ 1064TIP3    H138250   1.764   2.471   1.197
+ 1064TIP3    H238251   1.616   2.459   1.180
+ 1064TIP3   OH238252   2.267   1.959   0.401
+ 1064TIP3    H138253   2.330   1.899   0.356
+ 1064TIP3    H238254   2.245   1.896   0.472
+ 1064TIP3   OH238255   2.139   1.808   0.635
+ 1064TIP3    H138256   2.066   1.871   0.635
+ 1064TIP3    H238257   2.197   1.840   0.707
+ 1065TIP3   OH238258   2.139   2.470  -0.150
+ 1065TIP3    H138259   2.087   2.407  -0.204
+ 1065TIP3    H238260   2.171   2.412  -0.079
+ 1065TIP3   OH238261   2.902   2.364   0.684
+ 1065TIP3    H138262   2.950   2.418   0.619
+ 1065TIP3    H238263   2.816   2.351   0.639
+ 1065TIP3   OH238264   2.589   1.725  -0.424
+ 1065TIP3    H138265   2.492   1.723  -0.414
+ 1065TIP3    H238266   2.614   1.795  -0.360
+ 1065TIP3   OH238267   2.344   2.450   0.943
+ 1065TIP3    H138268   2.314   2.414   1.028
+ 1065TIP3    H238269   2.312   2.541   0.945
+ 1065TIP3   OH238270   2.670   1.910  -0.223
+ 1065TIP3    H138271   2.753   1.898  -0.174
+ 1065TIP3    H238272   2.678   2.001  -0.256
+ 1065TIP3   OH238273   1.700   2.380   0.384
+ 1065TIP3    H138274   1.758   2.361   0.309
+ 1065TIP3    H238275   1.694   2.293   0.427
+ 1065TIP3   OH238276   2.419   2.583  -0.292
+ 1065TIP3    H138277   2.389   2.671  -0.259
+ 1065TIP3    H238278   2.345   2.527  -0.268
+ 1065TIP3   OH238279   1.418   2.214   0.918
+ 1065TIP3    H138280   1.429   2.162   1.001
+ 1065TIP3    H238281   1.354   2.161   0.866
+ 1065TIP3   OH238282   2.113   2.164   1.111
+ 1065TIP3    H138283   2.085   2.139   1.021
+ 1065TIP3    H238284   2.205   2.133   1.109
+ 1065TIP3   OH238285   2.570   2.711   0.889
+ 1065TIP3    H138286   2.473   2.715   0.884
+ 1065TIP3    H238287   2.586   2.732   0.982
+ 1066TIP3   OH238288   3.167   1.902  -0.264
+ 1066TIP3    H138289   3.091   1.883  -0.324
+ 1066TIP3    H238290   3.154   1.999  -0.256
+ 1066TIP3   OH238291   3.168   2.517   1.047
+ 1066TIP3    H138292   3.074   2.538   1.028
+ 1066TIP3    H238293   3.201   2.498   0.957
+ 1066TIP3   OH238294   2.940   2.772  -0.223
+ 1066TIP3    H138295   2.925   2.692  -0.171
+ 1066TIP3    H238296   2.996   2.741  -0.296
+ 1066TIP3   OH238297   2.667   2.308   0.513
+ 1066TIP3    H138298   2.574   2.290   0.491
+ 1066TIP3    H238299   2.711   2.234   0.466
+ 1066TIP3   OH238300   1.527   2.204  -0.419
+ 1066TIP3    H138301   1.581   2.271  -0.373
+ 1066TIP3    H238302   1.438   2.218  -0.380
+ 1066TIP3   OH238303   2.132   2.910   0.713
+ 1066TIP3    H138304   2.188   2.987   0.692
+ 1066TIP3    H238305   2.190   2.860   0.773
+ 1066TIP3   OH238306   1.979   2.969   0.060
+ 1066TIP3    H138307   1.884   2.990   0.056
+ 1066TIP3    H238308   2.017   3.057   0.075
+ 1066TIP3   OH238309   2.470   2.488   0.673
+ 1066TIP3    H138310   2.439   2.457   0.760
+ 1066TIP3    H238311   2.540   2.424   0.652
+ 1066TIP3   OH238312   2.686   2.615  -0.433
+ 1066TIP3    H138313   2.730   2.572  -0.358
+ 1066TIP3    H238314   2.593   2.600  -0.407
+ 1066TIP3   OH238315   2.766   2.942   0.913
+ 1066TIP3    H138316   2.690   2.895   0.872
+ 1066TIP3    H238317   2.775   3.021   0.856
+ 1067TIP3   OH238318   3.161   3.042  -0.380
+ 1067TIP3    H138319   3.232   3.104  -0.404
+ 1067TIP3    H238320   3.085   3.103  -0.383
+ 1067TIP3   OH238321   2.784   2.479  -0.191
+ 1067TIP3    H138322   2.759   2.402  -0.136
+ 1067TIP3    H238323   2.881   2.474  -0.189
+ 1067TIP3   OH238324   1.532   2.852   0.720
+ 1067TIP3    H138325   1.552   2.760   0.746
+ 1067TIP3    H238326   1.546   2.896   0.805
+ 1067TIP3   OH238327   2.112   2.721  -0.578
+ 1067TIP3    H138328   2.140   2.643  -0.628
+ 1067TIP3    H238329   2.069   2.681  -0.501
+ 1067TIP3   OH238330   2.002   2.673  -0.309
+ 1067TIP3    H138331   2.049   2.617  -0.244
+ 1067TIP3    H238332   2.016   2.763  -0.275
+ 1067TIP3   OH238333   1.682   2.418  -0.262
+ 1067TIP3    H138334   1.606   2.453  -0.212
+ 1067TIP3    H238335   1.722   2.500  -0.295
+ 1067TIP3   OH238336   2.444   1.694   0.758
+ 1067TIP3    H138337   2.525   1.673   0.806
+ 1067TIP3    H238338   2.404   1.606   0.746
+ 1067TIP3   OH238339   2.490   1.668  -0.148
+ 1067TIP3    H138340   2.563   1.669  -0.210
+ 1067TIP3    H238341   2.536   1.669  -0.062
+ 1067TIP3   OH238342   2.292   2.836  -0.239
+ 1067TIP3    H138343   2.208   2.885  -0.229
+ 1067TIP3    H238344   2.329   2.879  -0.318
+ 1067TIP3   OH238345   2.232   1.816  -0.037
+ 1067TIP3    H138346   2.326   1.840  -0.030
+ 1067TIP3    H238347   2.216   1.778   0.051
+ 1068TIP3   OH238348   2.287   1.899   0.870
+ 1068TIP3    H138349   2.306   1.939   0.956
+ 1068TIP3    H238350   2.343   1.818   0.870
+ 1068TIP3   OH238351   2.013   2.942  -0.239
+ 1068TIP3    H138352   2.004   3.020  -0.297
+ 1068TIP3    H238353   1.997   2.980  -0.151
+ 1068TIP3   OH238354   2.920   1.695   0.958
+ 1068TIP3    H138355   2.824   1.715   0.948
+ 1068TIP3    H238356   2.940   1.676   0.865
+ 1068TIP3   OH238357   2.774   2.086   0.364
+ 1068TIP3    H138358   2.688   2.046   0.334
+ 1068TIP3    H238359   2.815   2.010   0.410
+ 1068TIP3   OH238360   1.725   2.694  -0.389
+ 1068TIP3    H138361   1.799   2.746  -0.353
+ 1068TIP3    H238362   1.772   2.645  -0.458
+ 1068TIP3   OH238363   1.564   1.934  -0.481
+ 1068TIP3    H138364   1.552   2.023  -0.441
+ 1068TIP3    H238365   1.474   1.902  -0.489
+ 1068TIP3   OH238366   2.869   2.968   0.501
+ 1068TIP3    H138367   2.853   3.050   0.451
+ 1068TIP3    H238368   2.961   2.981   0.526
+ 1068TIP3   OH238369   1.519   2.765   0.028
+ 1068TIP3    H138370   1.441   2.817   0.052
+ 1068TIP3    H238371   1.557   2.819  -0.044
+ 1068TIP3   OH238372   1.460   3.059   1.142
+ 1068TIP3    H138373   1.518   3.030   1.215
+ 1068TIP3    H238374   1.421   2.973   1.115
+ 1068TIP3   OH238375   1.929   2.967   1.320
+ 1068TIP3    H138376   1.997   2.901   1.343
+ 1068TIP3    H238377   1.906   2.938   1.230
+ 1069TIP3   OH238378   2.335   2.889  -0.523
+ 1069TIP3    H138379   2.260   2.827  -0.539
+ 1069TIP3    H238380   2.407   2.839  -0.566
+ 1069TIP3   OH238381   2.577   2.791   1.179
+ 1069TIP3    H138382   2.537   2.711   1.216
+ 1069TIP3    H238383   2.645   2.813   1.244
+ 1069TIP3   OH238384   2.797   2.882  -0.517
+ 1069TIP3    H138385   2.815   2.801  -0.467
+ 1069TIP3    H238386   2.875   2.887  -0.576
+ 1069TIP3   OH238387   1.456   2.423   1.254
+ 1069TIP3    H138388   1.465   2.331   1.223
+ 1069TIP3    H238389   1.379   2.452   1.203
+ 1069TIP3   OH238390   1.877   2.466  -0.543
+ 1069TIP3    H138391   1.890   2.402  -0.471
+ 1069TIP3    H238392   1.962   2.458  -0.590
+ 1069TIP3   OH238393   2.119   2.440   1.188
+ 1069TIP3    H138394   2.088   2.471   1.102
+ 1069TIP3    H238395   2.125   2.343   1.174
+ 1069TIP3   OH238396   2.398   2.596  -0.582
+ 1069TIP3    H138397   2.398   2.591  -0.485
+ 1069TIP3    H238398   2.396   2.501  -0.605
+ 1069TIP3   OH238399   2.655   2.402   0.928
+ 1069TIP3    H138400   2.733   2.456   0.907
+ 1069TIP3    H238401   2.584   2.468   0.925
+ 1069TIP3   OH238402   1.546   2.138   1.168
+ 1069TIP3    H138403   1.618   2.073   1.170
+ 1069TIP3    H238404   1.533   2.154   1.263
+ 1069TIP3   OH238405   1.995   2.273  -0.298
+ 1069TIP3    H138406   1.927   2.222  -0.252
+ 1069TIP3    H238407   2.020   2.210  -0.369
+ 1070TIP3   OH238408   1.912   2.040   0.897
+ 1070TIP3    H138409   1.858   2.114   0.927
+ 1070TIP3    H238410   1.978   2.084   0.841
+ 1070TIP3   OH238411   2.086   2.084  -0.482
+ 1070TIP3    H138412   2.078   2.075  -0.579
+ 1070TIP3    H238413   2.182   2.075  -0.470
+ 1070TIP3   OH238414   2.438   2.320   1.272
+ 1070TIP3    H138415   2.527   2.299   1.240
+ 1070TIP3    H238416   2.411   2.235   1.310
+ 1070TIP3   OH238417   3.032   2.312  -0.569
+ 1070TIP3    H138418   3.035   2.277  -0.659
+ 1070TIP3    H238419   3.028   2.408  -0.586
+ 1070TIP3   OH238420   1.967   1.778   1.026
+ 1070TIP3    H138421   1.968   1.709   0.958
+ 1070TIP3    H238422   1.948   1.858   0.973
+ 1070TIP3   OH238423   1.970   1.620   0.750
+ 1070TIP3    H138424   2.041   1.672   0.707
+ 1070TIP3    H238425   1.892   1.663   0.713
+ 1070TIP3   OH238426   2.154   2.169   0.815
+ 1070TIP3    H138427   2.237   2.155   0.767
+ 1070TIP3    H238428   2.128   2.258   0.784
+ 1070TIP3   OH238429   2.612   1.964   1.295
+ 1070TIP3    H138430   2.632   1.869   1.302
+ 1070TIP3    H238431   2.701   2.002   1.287
+ 1070TIP3   OH238432   2.711   2.242   1.143
+ 1070TIP3    H138433   2.674   2.302   1.074
+ 1070TIP3    H238434   2.798   2.225   1.104
+ 1070TIP3   OH238435   1.789   1.962   1.203
+ 1070TIP3    H138436   1.730   1.884   1.205
+ 1070TIP3    H238437   1.869   1.925   1.163
+ 1071TIP3   OH238438   2.075   1.363   0.818
+ 1071TIP3    H138439   2.043   1.454   0.795
+ 1071TIP3    H238440   2.008   1.309   0.769
+ 1071TIP3   OH238441   2.198   1.816   1.189
+ 1071TIP3    H138442   2.161   1.792   1.276
+ 1071TIP3    H238443   2.121   1.796   1.133
+ 1071TIP3   OH238444   2.458   1.724   1.080
+ 1071TIP3    H138445   2.365   1.723   1.110
+ 1071TIP3    H238446   2.498   1.654   1.134
+ 1071TIP3   OH238447   2.647   1.567   1.252
+ 1071TIP3    H138448   2.621   1.474   1.261
+ 1071TIP3    H238449   2.617   1.608   1.335
+ 1071TIP3   OH238450   1.639   1.705   1.178
+ 1071TIP3    H138451   1.638   1.627   1.121
+ 1071TIP3    H238452   1.628   1.664   1.267
+ 1071TIP3   OH238453   2.091   1.277   1.097
+ 1071TIP3    H138454   2.168   1.219   1.095
+ 1071TIP3    H238455   2.077   1.295   1.002
+ 1071TIP3   OH238456   2.149   1.490   1.276
+ 1071TIP3    H138457   2.126   1.426   1.206
+ 1071TIP3    H238458   2.075   1.553   1.273
+ 1071TIP3   OH238459   2.058   3.194  -0.374
+ 1071TIP3    H138460   2.154   3.207  -0.364
+ 1071TIP3    H238461   2.042   3.241  -0.457
+ 1071TIP3   OH238462   1.447   2.637  -0.425
+ 1071TIP3    H138463   1.543   2.654  -0.408
+ 1071TIP3    H238464   1.450   2.557  -0.481
+ 1071TIP3   OH238465   1.347   3.157   0.052
+ 1071TIP3    H138466   1.275   3.118  -0.002
+ 1071TIP3    H238467   1.358   3.087   0.121
+ 1072TIP3   OH238468   1.387   2.958   0.250
+ 1072TIP3    H138469   1.357   2.871   0.282
+ 1072TIP3    H238470   1.419   2.994   0.334
+ 1072TIP3   OH238471   3.140   3.085   0.552
+ 1072TIP3    H138472   3.158   3.082   0.648
+ 1072TIP3    H238473   3.226   3.114   0.518
+ 1072TIP3   OH238474   3.131   3.029   0.840
+ 1072TIP3    H138475   3.079   2.955   0.804
+ 1072TIP3    H238476   3.187   2.982   0.904
+ 1072TIP3   OH238477   2.931   2.572   1.269
+ 1072TIP3    H138478   2.842   2.579   1.308
+ 1072TIP3    H238479   2.976   2.652   1.300
+ 1072TIP3   OH238480   3.069   2.461  -0.159
+ 1072TIP3    H138481   3.160   2.495  -0.145
+ 1072TIP3    H238482   3.064   2.397  -0.085
+ 1072TIP3   OH238483   3.116   2.257   0.039
+ 1072TIP3    H138484   3.048   2.202   0.083
+ 1072TIP3    H238485   3.184   2.270   0.108
+ 1072TIP3   OH238486   3.090   2.508   0.538
+ 1072TIP3    H138487   3.151   2.459   0.481
+ 1072TIP3    H238488   3.103   2.600   0.507
+ 1072TIP3   OH238489   2.961   2.800   0.761
+ 1072TIP3    H138490   2.888   2.840   0.812
+ 1072TIP3    H238491   2.915   2.763   0.684
+ 1072TIP3   OH238492   3.142   2.193  -0.301
+ 1072TIP3    H138493   3.088   2.218  -0.378
+ 1072TIP3    H238494   3.132   2.270  -0.244
+ 1072TIP3   OH238495   2.980   1.953  -0.477
+ 1072TIP3    H138496   2.986   2.017  -0.550
+ 1072TIP3    H238497   2.947   1.875  -0.524
+ 1073TIP3   OH238498   2.912   2.068   0.121
+ 1073TIP3    H138499   2.899   1.973   0.106
+ 1073TIP3    H238500   2.872   2.080   0.209
+ 1073TIP3   OH238501   1.391   2.286   0.486
+ 1073TIP3    H138502   1.416   2.286   0.392
+ 1073TIP3    H238503   1.477   2.265   0.529
+ 1073TIP3   OH238504   2.971   2.265   1.035
+ 1073TIP3    H138505   3.044   2.202   1.052
+ 1073TIP3    H238506   3.018   2.347   1.017
+ 1073TIP3   OH238507   3.127   2.075   1.157
+ 1073TIP3    H138508   3.047   2.022   1.134
+ 1073TIP3    H238509   3.196   2.006   1.154
+ 1073TIP3   OH238510   2.913   1.684  -0.552
+ 1073TIP3    H138511   2.963   1.631  -0.489
+ 1073TIP3    H238512   2.830   1.635  -0.561
+ 1073TIP3   OH238513   2.907   1.819  -0.070
+ 1073TIP3    H138514   2.922   1.722  -0.064
+ 1073TIP3    H238515   2.990   1.849  -0.107
+ 1073TIP3   OH238516   2.923   1.879   0.482
+ 1073TIP3    H138517   3.020   1.893   0.484
+ 1073TIP3    H238518   2.903   1.887   0.577
+ 1073TIP3   OH238519   2.938   1.950   0.763
+ 1073TIP3    H138520   2.852   1.985   0.792
+ 1073TIP3    H238521   2.987   2.032   0.744
+ 1073TIP3   OH238522   1.356   1.794   1.099
+ 1073TIP3    H138523   1.449   1.770   1.115
+ 1073TIP3    H238524   1.309   1.720   1.138
+ 1073TIP3   OH238525   3.196   1.368   1.295
+ 1073TIP3    H138526   3.234   1.298   1.238
+ 1073TIP3    H238527   3.195   1.445   1.235
+ 1074TIP3   OH238528   2.927   1.523  -0.072
+ 1074TIP3    H138529   2.946   1.501   0.021
+ 1074TIP3    H238530   2.839   1.483  -0.082
+ 1074TIP3   OH238531   1.339   1.952   0.496
+ 1074TIP3    H138532   1.382   1.942   0.411
+ 1074TIP3    H238533   1.380   2.030   0.532
+ 1074TIP3   OH238534   3.129   1.570   1.118
+ 1074TIP3    H138535   3.042   1.614   1.123
+ 1074TIP3    H238536   3.117   1.517   1.037
+ 1074TIP3   OH238537   3.158   1.586  -0.381
+ 1074TIP3    H138538   3.170   1.507  -0.437
+ 1074TIP3    H238539   3.202   1.654  -0.432
+ 1074TIP3   OH238540   2.829   3.087   0.133
+ 1074TIP3    H138541   2.875   3.065   0.051
+ 1074TIP3    H238542   2.900   3.128   0.185
+ 1074TIP3   OH238543   1.570   2.766   1.204
+ 1074TIP3    H138544   1.497   2.757   1.141
+ 1074TIP3    H238545   1.526   2.753   1.289
+ 1074TIP3   OH238546   1.855   2.856   0.768
+ 1074TIP3    H138547   1.822   2.942   0.738
+ 1074TIP3    H238548   1.951   2.870   0.756
+ 1074TIP3   OH238549   2.305   2.989   1.073
+ 1074TIP3    H138550   2.319   2.972   1.167
+ 1074TIP3    H238551   2.389   3.034   1.048
+ 1074TIP3   OH238552   2.534   3.135   0.996
+ 1074TIP3    H138553   2.603   3.070   0.975
+ 1074TIP3    H238554   2.564   3.166   1.084
+ 1074TIP3   OH238555   3.017   1.394   0.914
+ 1074TIP3    H138556   2.935   1.414   0.865
+ 1074TIP3    H238557   3.037   1.304   0.880
+ 1075TIP3   OH238558   1.592   3.154   0.804
+ 1075TIP3    H138559   1.532   3.217   0.761
+ 1075TIP3    H238560   1.559   3.158   0.895
+ 1075TIP3   OH238561   1.840   3.130   0.657
+ 1075TIP3    H138562   1.756   3.149   0.702
+ 1075TIP3    H238563   1.845   3.202   0.591
+ 1075TIP3   OH238564   2.314   3.131   0.616
+ 1075TIP3    H138565   2.279   3.179   0.538
+ 1075TIP3    H238566   2.325   3.205   0.680
+ 1075TIP3   OH238567   2.549   3.003   0.706
+ 1075TIP3    H138568   2.464   3.039   0.675
+ 1075TIP3    H238569   2.605   3.082   0.707
+ 1075TIP3   OH238570   2.802   3.176   0.727
+ 1075TIP3    H138571   2.798   3.271   0.705
+ 1075TIP3    H238572   2.830   3.139   0.641
+ 1075TIP3   OH238573   1.550   3.034   0.500
+ 1075TIP3    H138574   1.547   2.985   0.585
+ 1075TIP3    H238575   1.626   2.991   0.457
+ 1075TIP3   OH238576   1.756   2.903   0.336
+ 1075TIP3    H138577   1.738   2.812   0.371
+ 1075TIP3    H238578   1.841   2.925   0.378
+ 1075TIP3   OH238579   2.023   2.944   0.437
+ 1075TIP3    H138580   2.066   2.860   0.425
+ 1075TIP3    H238581   2.035   2.957   0.533
+ 1075TIP3   OH238582   2.854   1.347   0.409
+ 1075TIP3    H138583   2.923   1.392   0.357
+ 1075TIP3    H238584   2.773   1.362   0.355
+ 1075TIP3   OH238585   3.056   1.462   0.178
+ 1075TIP3    H138586   3.131   1.413   0.141
+ 1075TIP3    H238587   3.092   1.549   0.200
+ 1076TIP3   OH238588   2.625   1.354   0.251
+ 1076TIP3    H138589   2.597   1.382   0.163
+ 1076TIP3    H238590   2.573   1.274   0.262
+ 1076TIP3   OH238591   1.495   2.960  -0.178
+ 1076TIP3    H138592   1.431   2.948  -0.250
+ 1076TIP3    H238593   1.493   3.056  -0.169
+ 1076TIP3   OH238594   2.132   1.557  -0.200
+ 1076TIP3    H138595   2.176   1.503  -0.134
+ 1076TIP3    H238596   2.137   1.646  -0.162
+ 1076TIP3   OH238597   2.361   3.142  -0.364
+ 1076TIP3    H138598   2.458   3.146  -0.370
+ 1076TIP3    H238599   2.342   3.078  -0.434
+ 1076TIP3   OH238600   3.009   3.047  -0.107
+ 1076TIP3    H138601   2.989   2.962  -0.151
+ 1076TIP3    H238602   3.013   3.107  -0.183
+ 1076TIP3   OH238603   1.576   1.418   1.060
+ 1076TIP3    H138604   1.528   1.372   1.130
+ 1076TIP3    H238605   1.667   1.415   1.093
+ 1076TIP3   OH238606   1.826   1.374   1.235
+ 1076TIP3    H138607   1.902   1.322   1.204
+ 1076TIP3    H238608   1.780   1.309   1.293
+ 1076TIP3   OH238609   1.639   3.057  -0.498
+ 1076TIP3    H138610   1.615   3.083  -0.408
+ 1076TIP3    H238611   1.714   2.998  -0.485
+ 1076TIP3   OH238612   2.625   1.289   1.260
+ 1076TIP3    H138613   2.634   1.252   1.350
+ 1076TIP3    H238614   2.718   1.288   1.230
+ 1076TIP3   OH238615   2.963   2.923   1.131
+ 1076TIP3    H138616   2.889   2.903   1.070
+ 1076TIP3    H238617   2.944   3.017   1.151
+ 1077TIP3   OH238618   4.211   2.201   0.458
+ 1077TIP3    H138619   4.291   2.227   0.509
+ 1077TIP3    H238620   4.245   2.196   0.368
+ 1077TIP3   OH238621   3.515   2.192   0.618
+ 1077TIP3    H138622   3.513   2.118   0.681
+ 1077TIP3    H238623   3.586   2.247   0.655
+ 1077TIP3   OH238624   3.581   2.657   0.468
+ 1077TIP3    H138625   3.557   2.565   0.443
+ 1077TIP3    H238626   3.674   2.644   0.491
+ 1077TIP3   OH238627   3.281   2.000  -0.007
+ 1077TIP3    H138628   3.241   2.085   0.015
+ 1077TIP3    H238629   3.203   1.944  -0.018
+ 1077TIP3   OH238630   3.360   2.241   0.190
+ 1077TIP3    H138631   3.376   2.160   0.243
+ 1077TIP3    H238632   3.446   2.255   0.149
+ 1077TIP3   OH238633   4.120   2.486   0.518
+ 1077TIP3    H138634   4.145   2.411   0.462
+ 1077TIP3    H238635   4.204   2.507   0.561
+ 1077TIP3   OH238636   3.742   1.721   0.267
+ 1077TIP3    H138637   3.759   1.806   0.223
+ 1077TIP3    H238638   3.710   1.668   0.192
+ 1077TIP3   OH238639   3.413   1.994   0.317
+ 1077TIP3    H138640   3.474   1.947   0.377
+ 1077TIP3    H238641   3.422   1.943   0.235
+ 1077TIP3   OH238642   3.952   2.129   0.264
+ 1077TIP3    H138643   4.027   2.077   0.300
+ 1077TIP3    H238644   3.902   2.059   0.218
+ 1077TIP3   OH238645   3.624   1.598   0.682
+ 1077TIP3    H138646   3.584   1.649   0.610
+ 1077TIP3    H238647   3.558   1.612   0.753
+ 1078TIP3   OH238648   3.915   2.381   0.697
+ 1078TIP3    H138649   3.843   2.442   0.722
+ 1078TIP3    H238650   3.980   2.442   0.658
+ 1078TIP3   OH238651   3.583   1.804   0.477
+ 1078TIP3    H138652   3.648   1.861   0.523
+ 1078TIP3    H238653   3.641   1.766   0.407
+ 1078TIP3   OH238654   3.715   2.573   0.768
+ 1078TIP3    H138655   3.713   2.665   0.736
+ 1078TIP3    H238656   3.628   2.569   0.812
+ 1078TIP3   OH238657   3.345   2.544  -0.144
+ 1078TIP3    H138658   3.329   2.594  -0.226
+ 1078TIP3    H238659   3.364   2.615  -0.079
+ 1078TIP3   OH238660   4.044   1.346   0.397
+ 1078TIP3    H138661   4.017   1.252   0.394
+ 1078TIP3    H238662   3.963   1.388   0.434
+ 1078TIP3   OH238663   4.273   2.228  -0.139
+ 1078TIP3    H138664   4.202   2.295  -0.148
+ 1078TIP3    H238665   4.329   2.253  -0.213
+ 1078TIP3   OH238666   4.289   2.075  -0.422
+ 1078TIP3    H138667   4.366   2.069  -0.364
+ 1078TIP3    H238668   4.296   1.996  -0.476
+ 1078TIP3   OH238669   3.757   2.317   0.157
+ 1078TIP3    H138670   3.730   2.274   0.074
+ 1078TIP3    H238671   3.824   2.254   0.191
+ 1078TIP3   OH238672   3.897   2.657   0.432
+ 1078TIP3    H138673   3.888   2.618   0.343
+ 1078TIP3    H238674   3.977   2.612   0.465
+ 1078TIP3   OH238675   3.815   2.201   0.503
+ 1078TIP3    H138676   3.876   2.199   0.427
+ 1078TIP3    H238677   3.858   2.266   0.562
+ 1079TIP3   OH238678   3.904   2.635   0.987
+ 1079TIP3    H138679   3.851   2.701   1.036
+ 1079TIP3    H238680   3.840   2.608   0.918
+ 1079TIP3   OH238681   3.595   2.270   0.900
+ 1079TIP3    H138682   3.600   2.329   0.978
+ 1079TIP3    H238683   3.498   2.258   0.892
+ 1079TIP3   OH238684   4.249   2.842   0.076
+ 1079TIP3    H138685   4.299   2.893   0.142
+ 1079TIP3    H238686   4.200   2.912   0.030
+ 1079TIP3   OH238687   3.711   2.852   1.070
+ 1079TIP3    H138688   3.700   2.855   0.974
+ 1079TIP3    H238689   3.623   2.823   1.101
+ 1079TIP3   OH238690   3.654   2.191  -0.101
+ 1079TIP3    H138691   3.632   2.273  -0.150
+ 1079TIP3    H238692   3.573   2.140  -0.111
+ 1079TIP3   OH238693   3.257   2.461   0.781
+ 1079TIP3    H138694   3.211   2.460   0.695
+ 1079TIP3    H238695   3.269   2.365   0.798
+ 1079TIP3   OH238696   3.261   2.754   0.474
+ 1079TIP3    H138697   3.354   2.725   0.479
+ 1079TIP3    H238698   3.257   2.814   0.550
+ 1079TIP3   OH238699   4.173   2.735   0.938
+ 1079TIP3    H138700   4.180   2.824   0.975
+ 1079TIP3    H238701   4.082   2.709   0.959
+ 1079TIP3   OH238702   4.186   3.118  -0.072
+ 1079TIP3    H138703   4.203   3.122  -0.167
+ 1079TIP3    H238704   4.207   3.207  -0.041
+ 1079TIP3   OH238705   3.574   3.033   0.091
+ 1079TIP3    H138706   3.588   2.988   0.176
+ 1079TIP3    H238707   3.491   2.993   0.061
+ 1080TIP3   OH238708   3.474   2.616   0.907
+ 1080TIP3    H138709   3.502   2.568   0.987
+ 1080TIP3    H238710   3.401   2.561   0.872
+ 1080TIP3   OH238711   3.797   1.462   0.481
+ 1080TIP3    H138712   3.715   1.454   0.430
+ 1080TIP3    H238713   3.773   1.536   0.540
+ 1080TIP3   OH238714   4.233   1.398   0.909
+ 1080TIP3    H138715   4.245   1.325   0.971
+ 1080TIP3    H238716   4.142   1.380   0.877
+ 1080TIP3   OH238717   4.232   1.679  -0.415
+ 1080TIP3    H138718   4.168   1.658  -0.346
+ 1080TIP3    H238719   4.206   1.615  -0.484
+ 1080TIP3   OH238720   3.779   1.942   0.623
+ 1080TIP3    H138721   3.719   1.954   0.699
+ 1080TIP3    H238722   3.787   2.034   0.587
+ 1080TIP3   OH238723   3.774   1.950   0.112
+ 1080TIP3    H138724   3.678   1.939   0.095
+ 1080TIP3    H238725   3.810   1.931   0.023
+ 1080TIP3   OH238726   4.277   2.002   0.061
+ 1080TIP3    H138727   4.263   2.095   0.038
+ 1080TIP3    H238728   4.370   2.000   0.085
+ 1080TIP3   OH238729   4.252   2.032   1.145
+ 1080TIP3    H138730   4.195   1.952   1.158
+ 1080TIP3    H238731   4.338   1.987   1.143
+ 1080TIP3   OH238732   3.517   1.959   0.807
+ 1080TIP3    H138733   3.542   1.989   0.895
+ 1080TIP3    H238734   3.481   1.870   0.826
+ 1080TIP3   OH238735   3.865   1.724  -0.535
+ 1080TIP3    H138736   3.822   1.681  -0.458
+ 1080TIP3    H238737   3.790   1.738  -0.595
+ 1081TIP3   OH238738   3.211   1.720   0.167
+ 1081TIP3    H138739   3.262   1.700   0.248
+ 1081TIP3    H238740   3.251   1.665   0.098
+ 1081TIP3   OH238741   4.350   2.084   0.749
+ 1081TIP3    H138742   4.378   2.019   0.682
+ 1081TIP3    H238743   4.272   2.040   0.785
+ 1081TIP3   OH238744   4.048   1.689   0.215
+ 1081TIP3    H138745   3.955   1.696   0.240
+ 1081TIP3    H238746   4.090   1.708   0.300
+ 1081TIP3   OH238747   3.513   1.837   0.073
+ 1081TIP3    H138748   3.420   1.849   0.045
+ 1081TIP3    H238749   3.535   1.747   0.040
+ 1081TIP3   OH238750   3.874   1.862  -0.152
+ 1081TIP3    H138751   3.970   1.870  -0.141
+ 1081TIP3    H238752   3.855   1.926  -0.222
+ 1081TIP3   OH238753   3.682   1.970  -0.389
+ 1081TIP3    H138754   3.669   1.963  -0.486
+ 1081TIP3    H238755   3.774   2.002  -0.393
+ 1081TIP3   OH238756   3.582   2.462   1.124
+ 1081TIP3    H138757   3.650   2.470   1.194
+ 1081TIP3    H238758   3.502   2.460   1.179
+ 1081TIP3   OH238759   4.138   1.923   0.358
+ 1081TIP3    H138760   4.217   1.892   0.312
+ 1081TIP3    H238761   4.163   1.911   0.451
+ 1081TIP3   OH238762   3.679   1.603   0.011
+ 1081TIP3    H138763   3.626   1.523   0.030
+ 1081TIP3    H238764   3.762   1.565  -0.019
+ 1081TIP3   OH238765   4.049   1.797   0.626
+ 1081TIP3    H138766   3.980   1.863   0.611
+ 1081TIP3    H238767   4.100   1.837   0.699
+ 1082TIP3   OH238768   4.075   2.428  -0.184
+ 1082TIP3    H138769   3.994   2.388  -0.222
+ 1082TIP3    H238770   4.049   2.443  -0.090
+ 1082TIP3   OH238771   4.207   2.433   0.938
+ 1082TIP3    H138772   4.183   2.423   1.031
+ 1082TIP3    H238773   4.213   2.529   0.927
+ 1082TIP3   OH238774   3.577   2.385   0.392
+ 1082TIP3    H138775   3.636   2.376   0.315
+ 1082TIP3    H238776   3.591   2.300   0.437
+ 1082TIP3   OH238777   4.287   2.575  -0.289
+ 1082TIP3    H138778   4.260   2.664  -0.260
+ 1082TIP3    H238779   4.211   2.522  -0.256
+ 1082TIP3   OH238780   3.305   2.214   0.919
+ 1082TIP3    H138781   3.320   2.169   1.005
+ 1082TIP3    H238782   3.243   2.154   0.874
+ 1082TIP3   OH238783   4.002   2.164   1.122
+ 1082TIP3    H138784   3.966   2.134   1.036
+ 1082TIP3    H238785   4.096   2.139   1.112
+ 1082TIP3   OH238786   3.815   2.715   0.119
+ 1082TIP3    H138787   3.858   2.801   0.107
+ 1082TIP3    H238788   3.724   2.735   0.095
+ 1082TIP3   OH238789   3.414   2.152  -0.395
+ 1082TIP3    H138790   3.476   2.228  -0.392
+ 1082TIP3    H238791   3.328   2.199  -0.394
+ 1082TIP3   OH238792   3.994   2.482   0.078
+ 1082TIP3    H138793   3.970   2.575   0.095
+ 1082TIP3    H238794   3.923   2.436   0.123
+ 1082TIP3   OH238795   4.020   2.914   0.720
+ 1082TIP3    H138796   4.077   2.985   0.686
+ 1082TIP3    H238797   4.084   2.861   0.770
+ 1083TIP3   OH238798   3.860   3.004   0.042
+ 1083TIP3    H138799   3.764   3.022   0.049
+ 1083TIP3    H238800   3.897   3.092   0.064
+ 1083TIP3   OH238801   3.435   1.679   0.882
+ 1083TIP3    H138802   3.345   1.705   0.855
+ 1083TIP3    H238803   3.420   1.591   0.921
+ 1083TIP3   OH238804   3.412   2.854   0.721
+ 1083TIP3    H138805   3.441   2.763   0.737
+ 1083TIP3    H238806   3.435   2.895   0.805
+ 1083TIP3   OH238807   3.995   2.724  -0.577
+ 1083TIP3    H138808   4.029   2.647  -0.627
+ 1083TIP3    H238809   3.956   2.680  -0.499
+ 1083TIP3   OH238810   3.888   2.667  -0.301
+ 1083TIP3    H138811   3.935   2.620  -0.232
+ 1083TIP3    H238812   3.898   2.760  -0.274
+ 1083TIP3   OH238813   3.565   2.409  -0.266
+ 1083TIP3    H138814   3.490   2.450  -0.220
+ 1083TIP3    H238815   3.611   2.488  -0.301
+ 1083TIP3   OH238816   4.337   1.706   0.791
+ 1083TIP3    H138817   4.387   1.628   0.813
+ 1083TIP3    H238818   4.275   1.671   0.725
+ 1083TIP3   OH238819   4.168   2.832  -0.251
+ 1083TIP3    H138820   4.089   2.883  -0.228
+ 1083TIP3    H238821   4.211   2.891  -0.315
+ 1083TIP3   OH238822   4.138   1.797  -0.043
+ 1083TIP3    H138823   4.200   1.867  -0.015
+ 1083TIP3    H238824   4.102   1.774   0.045
+ 1083TIP3   OH238825   4.163   1.892   0.876
+ 1083TIP3    H138826   4.185   1.945   0.954
+ 1083TIP3    H238827   4.234   1.826   0.873
+ 1084TIP3   OH238828   4.194   1.503   0.075
+ 1084TIP3    H138829   4.165   1.581   0.127
+ 1084TIP3    H238830   4.271   1.538   0.026
+ 1084TIP3   OH238831   3.894   2.939  -0.244
+ 1084TIP3    H138832   3.891   3.020  -0.300
+ 1084TIP3    H238833   3.882   2.976  -0.155
+ 1084TIP3   OH238834   3.768   1.611  -0.298
+ 1084TIP3    H138835   3.781   1.686  -0.237
+ 1084TIP3    H238836   3.845   1.555  -0.277
+ 1084TIP3   OH238837   3.610   2.694  -0.388
+ 1084TIP3    H138838   3.682   2.747  -0.350
+ 1084TIP3    H238839   3.660   2.647  -0.457
+ 1084TIP3   OH238840   3.514   1.418   0.400
+ 1084TIP3    H138841   3.497   1.413   0.304
+ 1084TIP3    H238842   3.483   1.331   0.431
+ 1084TIP3   OH238843   3.405   2.767   0.029
+ 1084TIP3    H138844   3.327   2.820   0.052
+ 1084TIP3    H238845   3.443   2.819  -0.043
+ 1084TIP3   OH238846   3.346   3.059   1.142
+ 1084TIP3    H138847   3.403   3.030   1.216
+ 1084TIP3    H238848   3.307   2.974   1.114
+ 1084TIP3   OH238849   3.815   2.965   1.321
+ 1084TIP3    H138850   3.882   2.898   1.342
+ 1084TIP3    H238851   3.790   2.939   1.231
+ 1084TIP3   OH238852   4.231   2.888  -0.547
+ 1084TIP3    H138853   4.147   2.838  -0.545
+ 1084TIP3    H238854   4.293   2.814  -0.560
+ 1084TIP3   OH238855   3.341   2.422   1.255
+ 1084TIP3    H138856   3.350   2.331   1.221
+ 1084TIP3    H238857   3.264   2.452   1.204
+ 1085TIP3   OH238858   3.762   2.466  -0.543
+ 1085TIP3    H138859   3.781   2.405  -0.469
+ 1085TIP3    H238860   3.846   2.462  -0.591
+ 1085TIP3   OH238861   4.008   2.443   1.187
+ 1085TIP3    H138862   3.978   2.475   1.100
+ 1085TIP3    H238863   4.015   2.346   1.173
+ 1085TIP3   OH238864   4.262   2.596  -0.589
+ 1085TIP3    H138865   4.277   2.607  -0.493
+ 1085TIP3    H238866   4.243   2.501  -0.595
+ 1085TIP3   OH238867   3.428   2.136   1.172
+ 1085TIP3    H138868   3.500   2.071   1.173
+ 1085TIP3    H238869   3.422   2.157   1.266
+ 1085TIP3   OH238870   3.868   2.272  -0.314
+ 1085TIP3    H138871   3.812   2.221  -0.253
+ 1085TIP3    H238872   3.905   2.203  -0.373
+ 1085TIP3   OH238873   3.796   2.052   0.919
+ 1085TIP3    H138874   3.739   2.130   0.934
+ 1085TIP3    H238875   3.852   2.084   0.846
+ 1085TIP3   OH238876   3.977   2.074  -0.477
+ 1085TIP3    H138877   3.967   2.076  -0.574
+ 1085TIP3    H238878   4.074   2.083  -0.469
+ 1085TIP3   OH238879   4.284   2.299   1.287
+ 1085TIP3    H138880   4.354   2.267   1.229
+ 1085TIP3    H238881   4.267   2.217   1.338
+ 1085TIP3   OH238882   3.856   1.780   1.032
+ 1085TIP3    H138883   3.862   1.714   0.960
+ 1085TIP3    H238884   3.839   1.861   0.981
+ 1085TIP3   OH238885   3.886   1.624   0.774
+ 1085TIP3    H138886   3.937   1.681   0.712
+ 1085TIP3    H238887   3.795   1.628   0.738
+ 1086TIP3   OH238888   4.066   2.163   0.805
+ 1086TIP3    H138889   4.135   2.163   0.738
+ 1086TIP3    H238890   4.029   2.252   0.793
+ 1086TIP3   OH238891   3.676   1.960   1.212
+ 1086TIP3    H138892   3.621   1.880   1.208
+ 1086TIP3    H238893   3.754   1.932   1.162
+ 1086TIP3   OH238894   3.970   1.362   0.812
+ 1086TIP3    H138895   3.947   1.456   0.793
+ 1086TIP3    H238896   3.906   1.315   0.755
+ 1086TIP3   OH238897   4.102   1.807   1.185
+ 1086TIP3    H138898   4.064   1.782   1.270
+ 1086TIP3    H238899   4.029   1.785   1.125
+ 1086TIP3   OH238900   3.541   1.708   1.192
+ 1086TIP3    H138901   3.531   1.638   1.125
+ 1086TIP3    H238902   3.516   1.661   1.274
+ 1086TIP3   OH238903   3.945   1.307   1.093
+ 1086TIP3    H138904   4.006   1.233   1.095
+ 1086TIP3    H238905   3.940   1.324   0.997
+ 1086TIP3   OH238906   4.034   1.487   1.289
+ 1086TIP3    H138907   4.009   1.433   1.211
+ 1086TIP3    H238908   3.973   1.562   1.283
+ 1086TIP3   OH238909   3.957   3.191  -0.373
+ 1086TIP3    H138910   4.053   3.205  -0.368
+ 1086TIP3    H238911   3.935   3.244  -0.451
+ 1086TIP3   OH238912   3.334   2.636  -0.418
+ 1086TIP3    H138913   3.430   2.657  -0.408
+ 1086TIP3    H238914   3.336   2.559  -0.479
+ 1086TIP3   OH238915   3.232   3.156   0.053
+ 1086TIP3    H138916   3.161   3.118  -0.002
+ 1086TIP3    H238917   3.243   3.087   0.121
+ 1087TIP3   OH238918   3.272   2.958   0.251
+ 1087TIP3    H138919   3.243   2.871   0.283
+ 1087TIP3    H238920   3.307   2.994   0.334
+ 1087TIP3   OH238921   3.280   2.292   0.491
+ 1087TIP3    H138922   3.306   2.299   0.398
+ 1087TIP3    H238923   3.367   2.271   0.532
+ 1087TIP3   OH238924   3.273   1.829   1.134
+ 1087TIP3    H138925   3.366   1.800   1.134
+ 1087TIP3    H238926   3.227   1.743   1.138
+ 1087TIP3   OH238927   3.349   1.660   0.409
+ 1087TIP3    H138928   3.394   1.574   0.421
+ 1087TIP3    H238929   3.414   1.721   0.448
+ 1087TIP3   OH238930   3.205   1.928   0.518
+ 1087TIP3    H138931   3.260   1.926   0.438
+ 1087TIP3    H238932   3.240   2.007   0.563
+ 1087TIP3   OH238933   3.245   1.592  -0.090
+ 1087TIP3    H138934   3.151   1.570  -0.096
+ 1087TIP3    H238935   3.261   1.627  -0.179
+ 1087TIP3   OH238936   3.257   1.452   0.738
+ 1087TIP3    H138937   3.185   1.424   0.797
+ 1087TIP3    H238938   3.207   1.503   0.672
+ 1087TIP3   OH238939   3.456   2.761   1.205
+ 1087TIP3    H138940   3.384   2.757   1.140
+ 1087TIP3    H238941   3.408   2.756   1.289
+ 1087TIP3   OH238942   3.740   2.860   0.772
+ 1087TIP3    H138943   3.710   2.945   0.736
+ 1087TIP3    H238944   3.836   2.868   0.755
+ 1087TIP3   OH238945   4.219   3.022   1.061
+ 1087TIP3    H138946   4.205   2.985   1.150
+ 1087TIP3    H238947   4.314   3.044   1.067
+ 1088TIP3   OH238948   3.477   3.154   0.805
+ 1088TIP3    H138949   3.418   3.217   0.760
+ 1088TIP3    H238950   3.442   3.158   0.895
+ 1088TIP3   OH238951   3.729   3.132   0.662
+ 1088TIP3    H138952   3.644   3.152   0.706
+ 1088TIP3    H238953   3.733   3.201   0.593
+ 1088TIP3   OH238954   4.196   3.109   0.618
+ 1088TIP3    H138955   4.179   3.156   0.535
+ 1088TIP3    H238956   4.258   3.168   0.662
+ 1088TIP3   OH238957   3.434   3.033   0.499
+ 1088TIP3    H138958   3.434   2.984   0.585
+ 1088TIP3    H238959   3.511   2.990   0.455
+ 1088TIP3   OH238960   3.636   2.910   0.344
+ 1088TIP3    H138961   3.622   2.816   0.370
+ 1088TIP3    H238962   3.728   2.925   0.374
+ 1088TIP3   OH238963   3.912   2.957   0.432
+ 1088TIP3    H138964   3.934   2.866   0.409
+ 1088TIP3    H238965   3.921   2.955   0.529
+ 1088TIP3   OH238966   4.265   1.513   0.364
+ 1088TIP3    H138967   4.182   1.465   0.378
+ 1088TIP3    H238968   4.297   1.472   0.283
+ 1088TIP3   OH238969   3.481   1.412   0.113
+ 1088TIP3    H138970   3.394   1.394   0.073
+ 1088TIP3    H238971   3.523   1.324   0.104
+ 1088TIP3   OH238972   3.358   1.360  -0.290
+ 1088TIP3    H138973   3.407   1.424  -0.345
+ 1088TIP3    H238974   3.311   1.417  -0.228
+ 1088TIP3   OH238975   3.929   1.404   0.107
+ 1088TIP3    H138976   4.023   1.427   0.096
+ 1088TIP3    H238977   3.927   1.387   0.202
+ 1089TIP3   OH238978   3.379   2.961  -0.175
+ 1089TIP3    H138979   3.318   2.948  -0.250
+ 1089TIP3    H238980   3.380   3.057  -0.171
+ 1089TIP3   OH238981   3.529   1.559  -0.433
+ 1089TIP3    H138982   3.573   1.499  -0.496
+ 1089TIP3    H238983   3.605   1.578  -0.374
+ 1089TIP3   OH238984   4.067   1.568  -0.194
+ 1089TIP3    H138985   4.067   1.503  -0.122
+ 1089TIP3    H238986   4.062   1.652  -0.145
+ 1089TIP3   OH238987   4.266   3.121  -0.366
+ 1089TIP3    H138988   4.352   3.161  -0.387
+ 1089TIP3    H238989   4.247   3.068  -0.445
+ 1089TIP3   OH238990   3.460   1.440   1.073
+ 1089TIP3    H138991   3.420   1.358   1.106
+ 1089TIP3    H238992   3.553   1.426   1.096
+ 1089TIP3   OH238993   3.701   1.378   1.247
+ 1089TIP3    H138994   3.783   1.344   1.206
+ 1089TIP3    H238995   3.663   1.297   1.285
+ 1089TIP3   OH238996   3.520   3.051  -0.498
+ 1089TIP3    H138997   3.501   3.087  -0.410
+ 1089TIP3    H238998   3.601   2.999  -0.484
+ 1089TIP3   OH238999  -3.158   4.203   0.124
+ 1089TIP3    H139000  -3.188   4.295   0.128
+ 1089TIP3    H239001  -3.233   4.161   0.080
+ 1089TIP3   OH239002  -3.278   4.132   0.453
+ 1089TIP3    H139003  -3.275   4.080   0.535
+ 1089TIP3    H239004  -3.304   4.067   0.387
+ 1089TIP3   OH239005  -4.021   4.074   0.610
+ 1089TIP3    H139006  -4.033   4.006   0.678
+ 1089TIP3    H239007  -3.966   4.138   0.658
+ 1090TIP3   OH239008  -4.177   3.970  -0.076
+ 1090TIP3    H139009  -4.226   4.033  -0.019
+ 1090TIP3    H239010  -4.219   3.888  -0.049
+ 1090TIP3   OH239011  -4.198   4.127   0.174
+ 1090TIP3    H139012  -4.197   4.055   0.239
+ 1090TIP3    H239013  -4.103   4.139   0.161
+ 1090TIP3   OH239014  -2.553   3.522   0.569
+ 1090TIP3    H139015  -2.536   3.582   0.643
+ 1090TIP3    H239016  -2.495   3.559   0.501
+ 1090TIP3   OH239017  -3.095   3.803   0.560
+ 1090TIP3    H139018  -3.082   3.707   0.563
+ 1090TIP3    H239019  -3.105   3.818   0.465
+ 1090TIP3   OH239020  -3.798   3.605   0.266
+ 1090TIP3    H139021  -3.786   3.691   0.221
+ 1090TIP3    H239022  -3.834   3.552   0.192
+ 1090TIP3   OH239023  -3.014   3.622   0.098
+ 1090TIP3    H139024  -2.955   3.580   0.164
+ 1090TIP3    H239025  -2.949   3.668   0.043
+ 1090TIP3   OH239026  -4.142   3.880   0.319
+ 1090TIP3    H139027  -4.081   3.841   0.383
+ 1090TIP3    H239028  -4.123   3.827   0.240
+ 1090TIP3   OH239029  -3.589   4.018   0.264
+ 1090TIP3    H139030  -3.522   3.959   0.305
+ 1090TIP3    H239031  -3.645   3.953   0.217
+ 1090TIP3   OH239032  -2.489   3.657   0.819
+ 1090TIP3    H139033  -2.545   3.732   0.790
+ 1090TIP3    H239034  -2.501   3.662   0.915
+ 1090TIP3   OH239035  -3.919   3.487   0.684
+ 1090TIP3    H139036  -3.963   3.532   0.610
+ 1090TIP3    H239037  -3.982   3.505   0.756
+ 1091TIP3   OH239038  -3.647   4.267   0.663
+ 1091TIP3    H139039  -3.727   4.321   0.665
+ 1091TIP3    H239040  -3.581   4.336   0.651
+ 1091TIP3   OH239041  -2.829   3.545   0.302
+ 1091TIP3    H139042  -2.872   3.488   0.367
+ 1091TIP3    H239043  -2.780   3.607   0.359
+ 1091TIP3   OH239044  -3.957   3.690   0.475
+ 1091TIP3    H139045  -3.894   3.750   0.520
+ 1091TIP3    H239046  -3.899   3.654   0.404
+ 1091TIP3   OH239047  -2.816   3.461   0.685
+ 1091TIP3    H139048  -2.894   3.501   0.642
+ 1091TIP3    H239049  -2.745   3.480   0.621
+ 1091TIP3   OH239050  -3.505   3.233   0.392
+ 1091TIP3    H139051  -3.529   3.139   0.386
+ 1091TIP3    H239052  -3.588   3.272   0.428
+ 1091TIP3   OH239053  -3.308   4.143  -0.134
+ 1091TIP3    H139054  -3.373   4.178  -0.197
+ 1091TIP3    H239055  -3.231   4.134  -0.193
+ 1091TIP3   OH239056  -3.266   3.941  -0.415
+ 1091TIP3    H139057  -3.194   3.979  -0.363
+ 1091TIP3    H239058  -3.217   3.892  -0.483
+ 1091TIP3   OH239059  -2.551   4.056   0.695
+ 1091TIP3    H139060  -2.620   4.125   0.706
+ 1091TIP3    H239061  -2.501   4.094   0.619
+ 1091TIP3   OH239062  -2.935   4.140  -0.034
+ 1091TIP3    H139063  -3.001   4.163   0.035
+ 1091TIP3    H239064  -2.870   4.089   0.018
+ 1091TIP3   OH239065  -2.964   3.979   0.859
+ 1091TIP3    H139066  -2.958   4.055   0.919
+ 1091TIP3    H239067  -3.017   4.020   0.788
+ 1092TIP3   OH239068  -3.770   4.217   0.156
+ 1092TIP3    H139069  -3.800   4.183   0.070
+ 1092TIP3    H239070  -3.702   4.152   0.181
+ 1092TIP3   OH239071  -3.730   4.074   0.497
+ 1092TIP3    H139072  -3.669   4.077   0.420
+ 1092TIP3    H239073  -3.695   4.145   0.555
+ 1092TIP3   OH239074  -3.055   4.074  -0.269
+ 1092TIP3    H139075  -2.998   4.101  -0.194
+ 1092TIP3    H239076  -3.009   4.119  -0.345
+ 1092TIP3   OH239077  -3.958   4.142   0.898
+ 1092TIP3    H139078  -3.949   4.201   0.977
+ 1092TIP3    H239079  -4.046   4.170   0.868
+ 1092TIP3   OH239080  -2.705   3.246  -0.327
+ 1092TIP3    H139081  -2.792   3.256  -0.285
+ 1092TIP3    H239082  -2.670   3.336  -0.322
+ 1092TIP3   OH239083  -3.894   4.084  -0.092
+ 1092TIP3    H139084  -3.914   4.163  -0.147
+ 1092TIP3    H239085  -3.972   4.029  -0.109
+ 1092TIP3   OH239086  -4.201   4.276   0.779
+ 1092TIP3    H139087  -4.252   4.313   0.706
+ 1092TIP3    H239088  -4.268   4.244   0.841
+ 1092TIP3   OH239089  -2.771   3.834   1.096
+ 1092TIP3    H139090  -2.813   3.878   1.020
+ 1092TIP3    H239091  -2.761   3.743   1.063
+ 1092TIP3   OH239092  -3.748   3.348   0.482
+ 1092TIP3    H139093  -3.831   3.339   0.431
+ 1092TIP3    H239094  -3.771   3.422   0.540
+ 1092TIP3   OH239095  -3.311   3.306   0.848
+ 1092TIP3    H139096  -3.259   3.252   0.911
+ 1092TIP3    H239097  -3.401   3.272   0.859
+ 1093TIP3   OH239098  -2.994   3.685   0.898
+ 1093TIP3    H139099  -3.055   3.671   0.972
+ 1093TIP3    H239100  -3.000   3.781   0.881
+ 1093TIP3   OH239101  -2.915   4.175  -0.475
+ 1093TIP3    H139102  -2.921   4.159  -0.571
+ 1093TIP3    H239103  -2.827   4.215  -0.468
+ 1093TIP3   OH239104  -3.329   3.556  -0.426
+ 1093TIP3    H139105  -3.380   3.545  -0.345
+ 1093TIP3    H239106  -3.371   3.490  -0.483
+ 1093TIP3   OH239107  -3.759   3.827   0.626
+ 1093TIP3    H139108  -3.825   3.839   0.697
+ 1093TIP3    H239109  -3.755   3.917   0.587
+ 1093TIP3   OH239110  -3.769   3.833   0.111
+ 1093TIP3    H139111  -3.865   3.831   0.093
+ 1093TIP3    H239112  -3.735   3.818   0.021
+ 1093TIP3   OH239113  -3.207   3.898  -0.009
+ 1093TIP3    H139114  -3.253   3.975  -0.048
+ 1093TIP3    H239115  -3.140   3.879  -0.077
+ 1093TIP3   OH239116  -3.284   3.918   1.134
+ 1093TIP3    H139117  -3.337   3.842   1.165
+ 1093TIP3    H239118  -3.197   3.901   1.172
+ 1093TIP3   OH239119  -3.123   3.830   0.266
+ 1093TIP3    H139120  -3.151   3.886   0.190
+ 1093TIP3    H239121  -3.099   3.749   0.218
+ 1093TIP3   OH239122  -4.023   3.842   0.806
+ 1093TIP3    H139123  -3.999   3.885   0.889
+ 1093TIP3    H239124  -4.052   3.754   0.836
+ 1093TIP3   OH239125  -3.686   3.600  -0.534
+ 1093TIP3    H139126  -3.725   3.564  -0.452
+ 1093TIP3    H239127  -3.764   3.619  -0.588
+ 1094TIP3   OH239128  -4.318   3.602   0.174
+ 1094TIP3    H139129  -4.305   3.575   0.267
+ 1094TIP3    H239130  -4.282   3.528   0.125
+ 1094TIP3   OH239131  -4.213   3.660  -0.239
+ 1094TIP3    H139132  -4.152   3.677  -0.312
+ 1094TIP3    H239133  -4.298   3.685  -0.280
+ 1094TIP3   OH239134  -3.226   3.996   0.708
+ 1094TIP3    H139135  -3.170   3.931   0.661
+ 1094TIP3    H239136  -3.250   3.947   0.788
+ 1094TIP3   OH239137  -3.490   3.593   0.215
+ 1094TIP3    H139138  -3.585   3.591   0.237
+ 1094TIP3    H239139  -3.450   3.576   0.302
+ 1094TIP3   OH239140  -4.038   3.718   0.079
+ 1094TIP3    H139141  -4.120   3.726   0.030
+ 1094TIP3    H239142  -4.001   3.635   0.042
+ 1094TIP3   OH239143  -3.671   3.747  -0.152
+ 1094TIP3    H139144  -3.574   3.760  -0.147
+ 1094TIP3    H239145  -3.698   3.810  -0.222
+ 1094TIP3   OH239146  -3.051   3.507   0.516
+ 1094TIP3    H139147  -3.115   3.508   0.590
+ 1094TIP3    H239148  -3.109   3.473   0.445
+ 1094TIP3   OH239149  -3.825   3.875  -0.374
+ 1094TIP3    H139150  -3.883   3.845  -0.445
+ 1094TIP3    H239151  -3.743   3.896  -0.422
+ 1094TIP3   OH239152  -3.956   4.305   1.113
+ 1094TIP3    H139153  -3.889   4.356   1.163
+ 1094TIP3    H239154  -4.035   4.322   1.168
+ 1094TIP3   OH239155  -3.391   3.848   0.396
+ 1094TIP3    H139156  -3.314   3.808   0.352
+ 1094TIP3    H239157  -3.404   3.789   0.472
+ 1095TIP3   OH239158  -3.873   3.484   0.022
+ 1095TIP3    H139159  -3.917   3.398   0.025
+ 1095TIP3    H239160  -3.792   3.463  -0.028
+ 1095TIP3   OH239161  -3.492   3.694   0.621
+ 1095TIP3    H139162  -3.570   3.753   0.621
+ 1095TIP3    H239163  -3.443   3.721   0.701
+ 1095TIP3   OH239164  -3.524   4.366  -0.162
+ 1095TIP3    H139165  -3.560   4.300  -0.225
+ 1095TIP3    H239166  -3.467   4.315  -0.104
+ 1095TIP3   OH239167  -2.727   4.265   0.676
+ 1095TIP3    H139168  -2.706   4.313   0.594
+ 1095TIP3    H239169  -2.823   4.255   0.663
+ 1095TIP3   OH239170  -3.061   3.616  -0.413
+ 1095TIP3    H139171  -3.160   3.614  -0.417
+ 1095TIP3    H239172  -3.043   3.689  -0.350
+ 1095TIP3   OH239173  -2.994   3.798  -0.204
+ 1095TIP3    H139174  -2.905   3.782  -0.167
+ 1095TIP3    H239175  -2.984   3.885  -0.246
+ 1095TIP3   OH239176  -3.971   4.217   0.345
+ 1095TIP3    H139177  -3.885   4.233   0.302
+ 1095TIP3    H239178  -3.947   4.165   0.423
+ 1095TIP3   OH239179  -4.289   4.107   0.971
+ 1095TIP3    H139180  -4.234   4.048   1.026
+ 1095TIP3    H239181  -4.299   4.056   0.888
+ 1095TIP3   OH239182  -3.542   4.046   1.122
+ 1095TIP3    H139183  -3.577   4.028   1.033
+ 1095TIP3    H239184  -3.447   4.030   1.108
+ 1095TIP3   OH239185  -2.535   3.798  -0.232
+ 1095TIP3    H139186  -2.590   3.779  -0.311
+ 1095TIP3    H239187  -2.523   3.894  -0.247
+ 1096TIP3   OH239188  -2.989   4.179   0.547
+ 1096TIP3    H139189  -3.080   4.183   0.512
+ 1096TIP3    H239190  -2.941   4.136   0.475
+ 1096TIP3   OH239191  -4.174   4.096  -0.412
+ 1096TIP3    H139192  -4.095   4.134  -0.372
+ 1096TIP3    H239193  -4.238   4.167  -0.393
+ 1096TIP3   OH239194  -4.102   3.575   0.889
+ 1096TIP3    H139195  -4.187   3.609   0.854
+ 1096TIP3    H239196  -4.125   3.486   0.923
+ 1096TIP3   OH239197  -3.958  -4.392  -0.247
+ 1096TIP3    H139198  -4.051  -4.360  -0.242
+ 1096TIP3    H239199  -3.912  -4.309  -0.269
+ 1096TIP3   OH239200  -3.210   3.549   0.736
+ 1096TIP3    H139201  -3.148   3.576   0.805
+ 1096TIP3    H239202  -3.259   3.476   0.778
+ 1096TIP3   OH239203  -3.145   3.492  -0.138
+ 1096TIP3    H139204  -3.130   3.545  -0.218
+ 1096TIP3    H239205  -3.101   3.544  -0.069
+ 1096TIP3   OH239206  -3.403   3.691  -0.043
+ 1096TIP3    H139207  -3.328   3.752  -0.028
+ 1096TIP3    H239208  -3.434   3.676   0.048
+ 1096TIP3   OH239209  -3.369   3.789   0.875
+ 1096TIP3    H139210  -3.359   3.841   0.956
+ 1096TIP3    H239211  -3.315   3.711   0.895
+ 1096TIP3   OH239212  -3.346   3.393   0.052
+ 1096TIP3    H139213  -3.367   3.464   0.116
+ 1096TIP3    H239214  -3.273   3.435   0.000
+ 1096TIP3   OH239215  -3.774   3.494  -0.290
+ 1096TIP3    H139216  -3.765   3.576  -0.238
+ 1096TIP3    H239217  -3.692   3.447  -0.267
+ 1097TIP3   OH239218  -2.742   3.584   0.963
+ 1097TIP3    H139219  -2.837   3.599   0.943
+ 1097TIP3    H239220  -2.712   3.564   0.873
+ 1097TIP3   OH239221  -2.886   3.965   0.355
+ 1097TIP3    H139222  -2.972   3.923   0.337
+ 1097TIP3    H239223  -2.841   3.898   0.410
+ 1097TIP3   OH239224  -4.114   3.799  -0.480
+ 1097TIP3    H139225  -4.112   3.891  -0.449
+ 1097TIP3    H239226  -4.203   3.789  -0.516
+ 1097TIP3   OH239227  -4.025   3.294   0.397
+ 1097TIP3    H139228  -4.058   3.293   0.305
+ 1097TIP3    H239229  -4.069   3.216   0.435
+ 1097TIP3   OH239230  -4.198   4.346   1.223
+ 1097TIP3    H139231  -4.195   4.249   1.222
+ 1097TIP3    H239232  -4.293   4.362   1.239
+ 1097TIP3   OH239233  -3.588   4.328   1.159
+ 1097TIP3    H139234  -3.585   4.347   1.063
+ 1097TIP3    H239235  -3.550   4.238   1.163
+ 1097TIP3   OH239236  -2.984  -4.377   0.933
+ 1097TIP3    H139237  -2.903  -4.332   0.904
+ 1097TIP3    H239238  -3.051  -4.310   0.915
+ 1097TIP3   OH239239  -4.132   4.017   1.187
+ 1097TIP3    H139240  -4.050   3.966   1.176
+ 1097TIP3    H239241  -4.128   4.040   1.281
+ 1097TIP3   OH239242  -3.659   4.160  -0.312
+ 1097TIP3    H139243  -3.729   4.122  -0.257
+ 1097TIP3    H239244  -3.647   4.092  -0.380
+ 1097TIP3   OH239245  -3.747   3.934   0.922
+ 1097TIP3    H139246  -3.807   4.010   0.934
+ 1097TIP3    H239247  -3.686   3.968   0.854
+ 1098TIP3   OH239248  -3.579   3.956  -0.488
+ 1098TIP3    H139249  -3.581   3.972  -0.585
+ 1098TIP3    H239250  -3.483   3.957  -0.471
+ 1098TIP3   OH239251  -3.221   4.215   1.271
+ 1098TIP3    H139252  -3.132   4.199   1.238
+ 1098TIP3    H239253  -3.250   4.128   1.299
+ 1098TIP3   OH239254  -2.648   4.189  -0.566
+ 1098TIP3    H139255  -2.659   4.185  -0.662
+ 1098TIP3    H239256  -2.645   4.285  -0.547
+ 1098TIP3   OH239257  -3.690   3.663   1.030
+ 1098TIP3    H139258  -3.684   3.598   0.958
+ 1098TIP3    H239259  -3.711   3.744   0.981
+ 1098TIP3   OH239260  -3.657   3.510   0.775
+ 1098TIP3    H139261  -3.605   3.563   0.711
+ 1098TIP3    H239262  -3.747   3.514   0.738
+ 1098TIP3   OH239263  -3.505   4.067   0.807
+ 1098TIP3    H139264  -3.421   4.056   0.758
+ 1098TIP3    H239265  -3.542   4.147   0.765
+ 1098TIP3   OH239266  -3.038   3.827   1.308
+ 1098TIP3    H139267  -3.005   3.741   1.282
+ 1098TIP3    H239268  -2.958   3.881   1.301
+ 1098TIP3   OH239269  -2.951   4.131   1.125
+ 1098TIP3    H139270  -2.971   4.206   1.064
+ 1098TIP3    H239271  -2.856   4.120   1.107
+ 1098TIP3   OH239272  -3.878   3.852   1.212
+ 1098TIP3    H139273  -3.930   3.769   1.206
+ 1098TIP3    H239274  -3.799   3.829   1.161
+ 1098TIP3   OH239275  -3.586   3.243   0.811
+ 1098TIP3    H139276  -3.603   3.338   0.793
+ 1098TIP3    H239277  -3.655   3.201   0.756
+ 1099TIP3   OH239278  -3.457   3.697   1.188
+ 1099TIP3    H139279  -3.498   3.685   1.275
+ 1099TIP3    H239280  -3.535   3.682   1.130
+ 1099TIP3   OH239281  -3.204   3.605   1.076
+ 1099TIP3    H139282  -3.293   3.612   1.114
+ 1099TIP3    H239283  -3.159   3.546   1.139
+ 1099TIP3   OH239284  -3.027   3.469   1.272
+ 1099TIP3    H139285  -3.035   3.371   1.270
+ 1099TIP3    H239286  -3.046   3.490   1.365
+ 1099TIP3   OH239287  -4.010   3.598   1.192
+ 1099TIP3    H139288  -4.017   3.527   1.126
+ 1099TIP3    H239289  -4.033   3.551   1.275
+ 1099TIP3   OH239290  -3.599   3.192   1.091
+ 1099TIP3    H139291  -3.541   3.115   1.093
+ 1099TIP3    H239292  -3.605   3.207   0.994
+ 1099TIP3   OH239293  -3.510   3.376   1.281
+ 1099TIP3    H139294  -3.534   3.318   1.206
+ 1099TIP3    H239295  -3.576   3.447   1.275
+ 1099TIP3   OH239296  -2.569   4.361  -0.123
+ 1099TIP3    H139297  -2.474   4.364  -0.142
+ 1099TIP3    H239298  -2.583   4.275  -0.081
+ 1099TIP3   OH239299  -2.526   4.127   0.041
+ 1099TIP3    H139300  -2.609   4.088   0.076
+ 1099TIP3    H239301  -2.482   4.157   0.122
+ 1099TIP3   OH239302  -2.514   4.093  -0.308
+ 1099TIP3    H139303  -2.576   4.115  -0.380
+ 1099TIP3    H239304  -2.526   4.169  -0.250
+ 1099TIP3   OH239305  -2.685   3.842  -0.475
+ 1099TIP3    H139306  -2.666   3.907  -0.545
+ 1099TIP3    H239307  -2.709   3.763  -0.526
+ 1100TIP3   OH239308  -2.756   3.966   0.113
+ 1100TIP3    H139309  -2.759   3.870   0.099
+ 1100TIP3    H239310  -2.793   3.974   0.204
+ 1100TIP3   OH239311  -4.249   4.209   0.499
+ 1100TIP3    H139312  -4.229   4.185   0.407
+ 1100TIP3    H239313  -4.177   4.166   0.549
+ 1100TIP3   OH239314  -2.655   4.151   1.005
+ 1100TIP3    H139315  -2.600   4.103   1.069
+ 1100TIP3    H239316  -2.635   4.245   1.023
+ 1100TIP3   OH239317  -2.537   3.969   1.165
+ 1100TIP3    H139318  -2.607   3.909   1.133
+ 1100TIP3    H239319  -2.460   3.910   1.169
+ 1100TIP3   OH239320  -2.740   3.578  -0.557
+ 1100TIP3    H139321  -2.683   3.529  -0.495
+ 1100TIP3    H239322  -2.821   3.525  -0.561
+ 1100TIP3   OH239323  -2.757   3.706  -0.059
+ 1100TIP3    H139324  -2.734   3.611  -0.056
+ 1100TIP3    H239325  -2.678   3.743  -0.101
+ 1100TIP3   OH239326  -2.737   3.764   0.483
+ 1100TIP3    H139327  -2.640   3.779   0.482
+ 1100TIP3    H239328  -2.753   3.772   0.579
+ 1100TIP3   OH239329  -2.720   3.838   0.765
+ 1100TIP3    H139330  -2.806   3.877   0.789
+ 1100TIP3    H239331  -2.667   3.918   0.745
+ 1100TIP3   OH239332  -4.287   3.709   1.126
+ 1100TIP3    H139333  -4.200   3.666   1.120
+ 1100TIP3    H239334  -4.347   3.635   1.143
+ 1100TIP3   OH239335  -2.467   3.249   1.293
+ 1100TIP3    H139336  -2.422   3.181   1.238
+ 1100TIP3    H239337  -2.462   3.327   1.236
+ 1101TIP3   OH239338  -2.712   3.427  -0.064
+ 1101TIP3    H139339  -2.702   3.394   0.027
+ 1101TIP3    H239340  -2.792   3.378  -0.093
+ 1101TIP3   OH239341  -4.196   3.554   0.449
+ 1101TIP3    H139342  -4.158   3.465   0.439
+ 1101TIP3    H239343  -4.116   3.609   0.460
+ 1101TIP3   OH239344  -4.328   3.817   0.530
+ 1101TIP3    H139345  -4.295   3.767   0.454
+ 1101TIP3    H239346  -4.311   3.908   0.501
+ 1101TIP3   OH239347  -2.527   3.455   1.120
+ 1101TIP3    H139348  -2.613   3.500   1.122
+ 1101TIP3    H239349  -2.538   3.402   1.039
+ 1101TIP3   OH239350  -2.516   3.475  -0.396
+ 1101TIP3    H139351  -2.484   3.395  -0.442
+ 1101TIP3    H239352  -2.436   3.528  -0.389
+ 1101TIP3   OH239353  -4.316   3.431  -0.122
+ 1101TIP3    H139354  -4.400   3.457  -0.164
+ 1101TIP3    H239355  -4.258   3.503  -0.155
+ 1101TIP3   OH239356  -4.291   3.328   0.715
+ 1101TIP3    H139357  -4.360   3.319   0.785
+ 1101TIP3    H239358  -4.335   3.374   0.642
+ 1101TIP3   OH239359  -2.641   3.279   0.917
+ 1101TIP3    H139360  -2.720   3.301   0.863
+ 1101TIP3    H239361  -2.618   3.190   0.883
+ 1101TIP3   OH239362  -3.296   3.429   0.365
+ 1101TIP3    H139363  -3.366   3.362   0.377
+ 1101TIP3    H239364  -3.238   3.384   0.301
+ 1101TIP3   OH239365  -2.802   3.232   0.409
+ 1101TIP3    H139366  -2.726   3.276   0.368
+ 1101TIP3    H239367  -2.876   3.261   0.354
+ 1102TIP3   OH239368  -2.594   3.342   0.195
+ 1102TIP3    H139369  -2.522   3.301   0.144
+ 1102TIP3    H239370  -2.562   3.434   0.204
+ 1102TIP3   OH239371  -4.106   3.287   0.117
+ 1102TIP3    H139372  -4.180   3.261   0.060
+ 1102TIP3    H239373  -4.046   3.212   0.105
+ 1102TIP3   OH239374  -4.180   3.249  -0.302
+ 1102TIP3    H139375  -4.131   3.316  -0.353
+ 1102TIP3    H239376  -4.234   3.305  -0.244
+ 1102TIP3   OH239377  -3.614   3.282   0.106
+ 1102TIP3    H139378  -3.523   3.314   0.092
+ 1102TIP3    H239379  -3.617   3.275   0.202
+ 1102TIP3   OH239380  -3.054   3.288   0.247
+ 1102TIP3    H139381  -3.030   3.272   0.155
+ 1102TIP3    H239382  -3.094   3.202   0.272
+ 1102TIP3   OH239383  -2.944   3.288  -0.154
+ 1102TIP3    H139384  -3.026   3.340  -0.167
+ 1102TIP3    H239385  -2.980   3.198  -0.142
+ 1102TIP3   OH239386  -4.006   3.437  -0.448
+ 1102TIP3    H139387  -3.949   3.380  -0.501
+ 1102TIP3    H239388  -3.944   3.466  -0.379
+ 1102TIP3   OH239389  -3.499   3.451  -0.189
+ 1102TIP3    H139390  -3.465   3.394  -0.119
+ 1102TIP3    H239391  -3.479   3.538  -0.152
+ 1102TIP3   OH239392  -4.080   3.327   1.069
+ 1102TIP3    H139393  -4.125   3.251   1.109
+ 1102TIP3    H239394  -3.988   3.312   1.097
+ 1102TIP3   OH239395  -3.841   3.265   1.248
+ 1102TIP3    H139396  -3.761   3.228   1.205
+ 1102TIP3    H239397  -3.879   3.185   1.289
+ 1103TIP3   OH239398  -3.029   3.186   1.267
+ 1103TIP3    H139399  -3.022   3.139   1.352
+ 1103TIP3    H239400  -2.938   3.179   1.234
+ 1103TIP3   OH239401  -1.275   4.201   0.128
+ 1103TIP3    H139402  -1.302   4.294   0.129
+ 1103TIP3    H239403  -1.346   4.162   0.075
+ 1103TIP3   OH239404  -1.413   4.133   0.457
+ 1103TIP3    H139405  -1.389   4.081   0.535
+ 1103TIP3    H239406  -1.413   4.068   0.386
+ 1103TIP3   OH239407  -2.083   4.060   0.598
+ 1103TIP3    H139408  -2.119   3.999   0.665
+ 1103TIP3    H239409  -2.061   4.135   0.656
+ 1103TIP3   OH239410  -2.378   3.889   0.012
+ 1103TIP3    H139411  -2.427   3.974   0.013
+ 1103TIP3    H239412  -2.443   3.831  -0.030
+ 1103TIP3   OH239413  -2.260   4.139   0.210
+ 1103TIP3    H139414  -2.279   4.052   0.251
+ 1103TIP3    H239415  -2.210   4.111   0.133
+ 1103TIP3   OH239416  -0.675   3.523   0.571
+ 1103TIP3    H139417  -0.650   3.584   0.643
+ 1103TIP3    H239418  -0.613   3.551   0.502
+ 1103TIP3   OH239419  -1.212   3.804   0.558
+ 1103TIP3    H139420  -1.196   3.708   0.564
+ 1103TIP3    H239421  -1.222   3.816   0.462
+ 1103TIP3   OH239422  -1.917   3.611   0.275
+ 1103TIP3    H139423  -1.901   3.689   0.218
+ 1103TIP3    H239424  -1.952   3.549   0.207
+ 1103TIP3   OH239425  -1.128   3.624   0.102
+ 1103TIP3    H139426  -1.068   3.582   0.167
+ 1103TIP3    H239427  -1.064   3.668   0.044
+ 1104TIP3   OH239428  -2.226   3.878   0.318
+ 1104TIP3    H139429  -2.186   3.815   0.380
+ 1104TIP3    H239430  -2.227   3.826   0.236
+ 1104TIP3   OH239431  -0.600   3.661   0.821
+ 1104TIP3    H139432  -0.660   3.732   0.791
+ 1104TIP3    H239433  -0.624   3.656   0.914
+ 1104TIP3   OH239434  -2.032   3.485   0.683
+ 1104TIP3    H139435  -2.073   3.538   0.614
+ 1104TIP3    H239436  -2.098   3.496   0.755
+ 1104TIP3   OH239437  -1.795   4.262   0.650
+ 1104TIP3    H139438  -1.870   4.323   0.637
+ 1104TIP3    H239439  -1.722   4.323   0.639
+ 1104TIP3   OH239440  -0.947   3.543   0.303
+ 1104TIP3    H139441  -0.984   3.485   0.371
+ 1104TIP3    H239442  -0.893   3.603   0.356
+ 1104TIP3   OH239443  -2.053   3.704   0.492
+ 1104TIP3    H139444  -1.989   3.750   0.548
+ 1104TIP3    H239445  -1.997   3.665   0.421
+ 1104TIP3   OH239446  -0.932   3.461   0.687
+ 1104TIP3    H139447  -1.009   3.500   0.642
+ 1104TIP3    H239448  -0.859   3.480   0.625
+ 1104TIP3   OH239449  -1.620   3.225   0.392
+ 1104TIP3    H139450  -1.642   3.130   0.393
+ 1104TIP3    H239451  -1.701   3.264   0.429
+ 1104TIP3   OH239452  -1.421   4.144  -0.133
+ 1104TIP3    H139453  -1.488   4.176  -0.195
+ 1104TIP3    H239454  -1.345   4.133  -0.193
+ 1104TIP3   OH239455  -1.381   3.941  -0.415
+ 1104TIP3    H139456  -1.308   3.979  -0.364
+ 1104TIP3    H239457  -1.333   3.892  -0.483
+ 1105TIP3   OH239458  -0.669   4.056   0.691
+ 1105TIP3    H139459  -0.735   4.127   0.702
+ 1105TIP3    H239460  -0.618   4.094   0.616
+ 1105TIP3   OH239461  -1.051   4.139  -0.033
+ 1105TIP3    H139462  -1.115   4.162   0.036
+ 1105TIP3    H239463  -0.984   4.089   0.017
+ 1105TIP3   OH239464  -1.078   3.981   0.859
+ 1105TIP3    H139465  -1.075   4.057   0.919
+ 1105TIP3    H239466  -1.131   4.019   0.788
+ 1105TIP3   OH239467  -1.883   4.158   0.179
+ 1105TIP3    H139468  -1.912   4.185   0.090
+ 1105TIP3    H239469  -1.796   4.124   0.156
+ 1105TIP3   OH239470  -1.171   4.075  -0.269
+ 1105TIP3    H139471  -1.112   4.101  -0.194
+ 1105TIP3    H239472  -1.124   4.119  -0.345
+ 1105TIP3   OH239473  -2.062   4.149   0.886
+ 1105TIP3    H139474  -2.051   4.214   0.959
+ 1105TIP3    H239475  -2.159   4.138   0.892
+ 1105TIP3   OH239476  -0.818   3.246  -0.329
+ 1105TIP3    H139477  -0.903   3.252  -0.282
+ 1105TIP3    H239478  -0.783   3.336  -0.318
+ 1105TIP3   OH239479  -2.018   4.089  -0.078
+ 1105TIP3    H139480  -2.024   4.165  -0.140
+ 1105TIP3    H239481  -2.068   4.021  -0.125
+ 1105TIP3   OH239482  -2.364   4.306   0.775
+ 1105TIP3    H139483  -2.432   4.299   0.707
+ 1105TIP3    H239484  -2.379   4.228   0.831
+ 1105TIP3   OH239485  -0.879   3.838   1.093
+ 1105TIP3    H139486  -0.929   3.875   1.019
+ 1105TIP3    H239487  -0.873   3.744   1.066
+ 1106TIP3   OH239488  -1.863   3.342   0.489
+ 1106TIP3    H139489  -1.944   3.329   0.438
+ 1106TIP3    H239490  -1.892   3.411   0.550
+ 1106TIP3   OH239491  -1.427   3.308   0.848
+ 1106TIP3    H139492  -1.374   3.252   0.909
+ 1106TIP3    H239493  -1.517   3.271   0.859
+ 1106TIP3   OH239494  -1.110   3.685   0.896
+ 1106TIP3    H139495  -1.170   3.669   0.971
+ 1106TIP3    H239496  -1.117   3.781   0.882
+ 1106TIP3   OH239497  -1.030   4.174  -0.475
+ 1106TIP3    H139498  -1.036   4.159  -0.571
+ 1106TIP3    H239499  -0.942   4.216  -0.468
+ 1106TIP3   OH239500  -1.444   3.557  -0.427
+ 1106TIP3    H139501  -1.493   3.543  -0.344
+ 1106TIP3    H239502  -1.484   3.488  -0.483
+ 1106TIP3   OH239503  -1.876   3.854   0.141
+ 1106TIP3    H139504  -1.967   3.848   0.105
+ 1106TIP3    H239505  -1.826   3.841   0.058
+ 1106TIP3   OH239506  -1.321   3.899  -0.009
+ 1106TIP3    H139507  -1.366   3.975  -0.050
+ 1106TIP3    H239508  -1.253   3.878  -0.075
+ 1106TIP3   OH239509  -1.403   3.921   1.130
+ 1106TIP3    H139510  -1.452   3.843   1.163
+ 1106TIP3    H239511  -1.314   3.904   1.168
+ 1106TIP3   OH239512  -1.246   3.833   0.269
+ 1106TIP3    H139513  -1.269   3.886   0.190
+ 1106TIP3    H239514  -1.220   3.750   0.224
+ 1106TIP3   OH239515  -2.138   3.839   0.791
+ 1106TIP3    H139516  -2.113   3.882   0.873
+ 1106TIP3    H239517  -2.169   3.753   0.823
+ 1107TIP3   OH239518  -1.800   3.603  -0.535
+ 1107TIP3    H139519  -1.838   3.566  -0.453
+ 1107TIP3    H239520  -1.879   3.618  -0.590
+ 1107TIP3   OH239521  -2.450   3.594   0.173
+ 1107TIP3    H139522  -2.388   3.587   0.247
+ 1107TIP3    H239523  -2.404   3.550   0.100
+ 1107TIP3   OH239524  -2.298   3.633  -0.257
+ 1107TIP3    H139525  -2.244   3.681  -0.324
+ 1107TIP3    H239526  -2.368   3.699  -0.241
+ 1107TIP3   OH239527  -1.340   3.997   0.709
+ 1107TIP3    H139528  -1.285   3.930   0.662
+ 1107TIP3    H239529  -1.365   3.947   0.789
+ 1107TIP3   OH239530  -1.608   3.593   0.213
+ 1107TIP3    H139531  -1.702   3.582   0.236
+ 1107TIP3    H239532  -1.564   3.572   0.297
+ 1107TIP3   OH239533  -2.142   3.724   0.082
+ 1107TIP3    H139534  -2.224   3.747   0.034
+ 1107TIP3    H239535  -2.110   3.645   0.034
+ 1107TIP3   OH239536  -1.787   3.760  -0.140
+ 1107TIP3    H139537  -1.690   3.757  -0.145
+ 1107TIP3    H239538  -1.813   3.808  -0.221
+ 1107TIP3   OH239539  -1.167   3.508   0.516
+ 1107TIP3    H139540  -1.231   3.507   0.590
+ 1107TIP3    H239541  -1.224   3.474   0.445
+ 1107TIP3   OH239542  -1.939   3.874  -0.371
+ 1107TIP3    H139543  -1.997   3.845  -0.443
+ 1107TIP3    H239544  -1.858   3.898  -0.420
+ 1107TIP3   OH239545  -2.071   4.325   1.090
+ 1107TIP3    H139546  -2.010   4.366   1.154
+ 1107TIP3    H239547  -2.134   4.280   1.151
+ 1108TIP3   OH239548  -1.532   3.867   0.378
+ 1108TIP3    H139549  -1.455   3.828   0.334
+ 1108TIP3    H239550  -1.540   3.813   0.458
+ 1108TIP3   OH239551  -1.973   3.490   0.018
+ 1108TIP3    H139552  -2.028   3.411   0.030
+ 1108TIP3    H239553  -1.893   3.454  -0.023
+ 1108TIP3   OH239554  -1.647   3.731   0.627
+ 1108TIP3    H139555  -1.715   3.773   0.680
+ 1108TIP3    H239556  -1.572   3.737   0.689
+ 1108TIP3   OH239557  -1.649   4.361  -0.157
+ 1108TIP3    H139558  -1.666   4.304  -0.234
+ 1108TIP3    H239559  -1.572   4.325  -0.112
+ 1108TIP3   OH239560  -0.844   4.266   0.678
+ 1108TIP3    H139561  -0.819   4.312   0.596
+ 1108TIP3    H239562  -0.939   4.256   0.660
+ 1108TIP3   OH239563  -1.176   3.615  -0.412
+ 1108TIP3    H139564  -1.275   3.614  -0.416
+ 1108TIP3    H239565  -1.158   3.689  -0.350
+ 1108TIP3   OH239566  -1.109   3.798  -0.203
+ 1108TIP3    H139567  -1.020   3.782  -0.166
+ 1108TIP3    H239568  -1.097   3.885  -0.247
+ 1108TIP3   OH239569  -2.007   4.245   0.403
+ 1108TIP3    H139570  -1.980   4.239   0.308
+ 1108TIP3    H239571  -2.076   4.179   0.413
+ 1108TIP3   OH239572  -2.340   4.073   0.929
+ 1108TIP3    H139573  -2.343   4.056   1.025
+ 1108TIP3    H239574  -2.421   4.031   0.896
+ 1108TIP3   OH239575  -1.657   4.052   1.116
+ 1108TIP3    H139576  -1.691   4.025   1.029
+ 1108TIP3    H239577  -1.563   4.027   1.110
+ 1109TIP3   OH239578  -0.650   3.798  -0.232
+ 1109TIP3    H139579  -0.705   3.779  -0.311
+ 1109TIP3    H239580  -0.637   3.893  -0.247
+ 1109TIP3   OH239581  -1.103   4.178   0.548
+ 1109TIP3    H139582  -1.192   4.185   0.512
+ 1109TIP3    H239583  -1.053   4.136   0.476
+ 1109TIP3   OH239584  -2.248   4.094  -0.427
+ 1109TIP3    H139585  -2.188   4.155  -0.381
+ 1109TIP3    H239586  -2.333   4.113  -0.383
+ 1109TIP3   OH239587  -2.221   3.563   0.880
+ 1109TIP3    H139588  -2.311   3.590   0.856
+ 1109TIP3    H239589  -2.237   3.477   0.923
+ 1109TIP3   OH239590  -2.072  -4.388  -0.241
+ 1109TIP3    H139591  -2.162  -4.352  -0.230
+ 1109TIP3    H239592  -2.024  -4.308  -0.268
+ 1109TIP3   OH239593  -1.333   3.550   0.734
+ 1109TIP3    H139594  -1.268   3.579   0.801
+ 1109TIP3    H239595  -1.376   3.473   0.777
+ 1109TIP3   OH239596  -1.263   3.495  -0.138
+ 1109TIP3    H139597  -1.244   3.544  -0.219
+ 1109TIP3    H239598  -1.213   3.543  -0.071
+ 1109TIP3   OH239599  -1.520   3.692  -0.045
+ 1109TIP3    H139600  -1.443   3.750  -0.030
+ 1109TIP3    H239601  -1.550   3.675   0.047
+ 1109TIP3   OH239602  -1.484   3.792   0.870
+ 1109TIP3    H139603  -1.480   3.837   0.955
+ 1109TIP3    H239604  -1.436   3.710   0.889
+ 1109TIP3   OH239605  -1.457   3.397   0.052
+ 1109TIP3    H139606  -1.481   3.467   0.115
+ 1109TIP3    H239607  -1.386   3.441  -0.000
+ 1110TIP3   OH239608  -1.888   3.495  -0.296
+ 1110TIP3    H139609  -1.887   3.571  -0.235
+ 1110TIP3    H239610  -1.806   3.449  -0.268
+ 1110TIP3   OH239611  -0.855   3.585   0.961
+ 1110TIP3    H139612  -0.951   3.595   0.946
+ 1110TIP3    H239613  -0.830   3.562   0.870
+ 1110TIP3   OH239614  -1.004   3.966   0.355
+ 1110TIP3    H139615  -1.088   3.921   0.338
+ 1110TIP3    H239616  -0.956   3.900   0.409
+ 1110TIP3   OH239617  -2.236   3.800  -0.474
+ 1110TIP3    H139618  -2.221   3.895  -0.459
+ 1110TIP3    H239619  -2.319   3.801  -0.524
+ 1110TIP3   OH239620  -2.142   3.306   0.401
+ 1110TIP3    H139621  -2.160   3.303   0.305
+ 1110TIP3    H239622  -2.175   3.220   0.431
+ 1110TIP3   OH239623  -1.694   4.329   1.156
+ 1110TIP3    H139624  -1.694   4.341   1.060
+ 1110TIP3    H239625  -1.666   4.235   1.163
+ 1110TIP3   OH239626  -1.099  -4.376   0.933
+ 1110TIP3    H139627  -1.021  -4.331   0.899
+ 1110TIP3    H239628  -1.168  -4.312   0.913
+ 1110TIP3   OH239629  -1.781   4.160  -0.319
+ 1110TIP3    H139630  -1.839   4.115  -0.258
+ 1110TIP3    H239631  -1.762   4.091  -0.385
+ 1110TIP3   OH239632  -1.849   3.926   0.896
+ 1110TIP3    H139633  -1.912   3.990   0.933
+ 1110TIP3    H239634  -1.789   3.984   0.845
+ 1110TIP3   OH239635  -1.693   3.957  -0.487
+ 1110TIP3    H139636  -1.696   3.971  -0.584
+ 1110TIP3    H239637  -1.597   3.956  -0.471
+ 1111TIP3   OH239638  -1.331   4.216   1.274
+ 1111TIP3    H139639  -1.245   4.194   1.236
+ 1111TIP3    H239640  -1.367   4.130   1.298
+ 1111TIP3   OH239641  -0.762   4.189  -0.565
+ 1111TIP3    H139642  -0.771   4.185  -0.662
+ 1111TIP3    H239643  -0.760   4.285  -0.546
+ 1111TIP3   OH239644  -1.804   3.663   1.030
+ 1111TIP3    H139645  -1.797   3.597   0.959
+ 1111TIP3    H239646  -1.827   3.743   0.980
+ 1111TIP3   OH239647  -1.773   3.513   0.773
+ 1111TIP3    H139648  -1.723   3.559   0.703
+ 1111TIP3    H239649  -1.864   3.510   0.739
+ 1111TIP3   OH239650  -1.623   4.068   0.797
+ 1111TIP3    H139651  -1.533   4.059   0.759
+ 1111TIP3    H239652  -1.648   4.157   0.771
+ 1111TIP3   OH239653  -1.157   3.849   1.293
+ 1111TIP3    H139654  -1.138   3.755   1.305
+ 1111TIP3    H239655  -1.067   3.886   1.288
+ 1111TIP3   OH239656  -1.062   4.137   1.128
+ 1111TIP3    H139657  -1.085   4.209   1.065
+ 1111TIP3    H239658  -0.972   4.117   1.099
+ 1111TIP3   OH239659  -1.967   3.859   1.203
+ 1111TIP3    H139660  -2.045   3.802   1.206
+ 1111TIP3    H239661  -1.900   3.802   1.164
+ 1111TIP3   OH239662  -1.701   3.245   0.813
+ 1111TIP3    H139663  -1.722   3.339   0.797
+ 1111TIP3    H239664  -1.772   3.199   0.764
+ 1111TIP3   OH239665  -1.572   3.702   1.187
+ 1111TIP3    H139666  -1.606   3.681   1.276
+ 1111TIP3    H239667  -1.652   3.681   1.134
+ 1112TIP3   OH239668  -1.319   3.607   1.075
+ 1112TIP3    H139669  -1.408   3.612   1.117
+ 1112TIP3    H239670  -1.274   3.542   1.132
+ 1112TIP3   OH239671  -1.133   3.454   1.248
+ 1112TIP3    H139672  -1.150   3.359   1.262
+ 1112TIP3    H239673  -1.153   3.494   1.334
+ 1112TIP3   OH239674  -2.122   3.595   1.197
+ 1112TIP3    H139675  -2.126   3.526   1.129
+ 1112TIP3    H239676  -2.142   3.544   1.278
+ 1112TIP3   OH239677  -1.698   3.182   1.094
+ 1112TIP3    H139678  -1.639   3.105   1.092
+ 1112TIP3    H239679  -1.708   3.197   0.998
+ 1112TIP3   OH239680  -1.621   3.379   1.278
+ 1112TIP3    H139681  -1.646   3.317   1.207
+ 1112TIP3    H239682  -1.692   3.445   1.276
+ 1112TIP3   OH239683  -0.684   4.359  -0.126
+ 1112TIP3    H139684  -0.588   4.365  -0.139
+ 1112TIP3    H239685  -0.696   4.276  -0.078
+ 1112TIP3   OH239686  -0.645   4.130   0.038
+ 1112TIP3    H139687  -0.723   4.088   0.079
+ 1112TIP3    H239688  -0.589   4.152   0.115
+ 1112TIP3   OH239689  -0.627   4.094  -0.309
+ 1112TIP3    H139690  -0.690   4.116  -0.380
+ 1112TIP3    H239691  -0.641   4.168  -0.248
+ 1112TIP3   OH239692  -0.800   3.842  -0.475
+ 1112TIP3    H139693  -0.780   3.907  -0.545
+ 1112TIP3    H239694  -0.824   3.762  -0.525
+ 1112TIP3   OH239695  -0.872   3.966   0.113
+ 1112TIP3    H139696  -0.873   3.869   0.100
+ 1112TIP3    H239697  -0.908   3.973   0.204
+ 1113TIP3   OH239698  -2.385   4.167   0.501
+ 1113TIP3    H139699  -2.369   4.197   0.411
+ 1113TIP3    H239700  -2.300   4.182   0.545
+ 1113TIP3   OH239701  -0.785   4.160   1.033
+ 1113TIP3    H139702  -0.713   4.101   1.061
+ 1113TIP3    H239703  -0.742   4.244   1.011
+ 1113TIP3   OH239704  -0.644   3.965   1.153
+ 1113TIP3    H139705  -0.725   3.913   1.134
+ 1113TIP3    H239706  -0.576   3.896   1.156
+ 1113TIP3   OH239707  -0.854   3.578  -0.558
+ 1113TIP3    H139708  -0.797   3.529  -0.495
+ 1113TIP3    H239709  -0.935   3.524  -0.562
+ 1113TIP3   OH239710  -0.873   3.706  -0.059
+ 1113TIP3    H139711  -0.848   3.611  -0.055
+ 1113TIP3    H239712  -0.793   3.742  -0.101
+ 1113TIP3   OH239713  -0.852   3.768   0.481
+ 1113TIP3    H139714  -0.754   3.779   0.479
+ 1113TIP3    H239715  -0.866   3.771   0.578
+ 1113TIP3   OH239716  -0.834   3.837   0.765
+ 1113TIP3    H139717  -0.920   3.875   0.789
+ 1113TIP3    H239718  -0.783   3.917   0.741
+ 1113TIP3   OH239719  -2.389   3.713   1.129
+ 1113TIP3    H139720  -2.294   3.694   1.135
+ 1113TIP3    H239721  -2.428   3.625   1.141
+ 1113TIP3   OH239722  -0.578   3.254   1.294
+ 1113TIP3    H139723  -0.537   3.184   1.239
+ 1113TIP3    H239724  -0.575   3.330   1.234
+ 1113TIP3   OH239725  -0.827   3.427  -0.063
+ 1113TIP3    H139726  -0.815   3.393   0.028
+ 1113TIP3    H239727  -0.906   3.378  -0.092
+ 1114TIP3   OH239728  -2.292   3.561   0.414
+ 1114TIP3    H139729  -2.255   3.471   0.421
+ 1114TIP3    H239730  -2.225   3.613   0.461
+ 1114TIP3   OH239731  -2.455   3.816   0.519
+ 1114TIP3    H139732  -2.398   3.812   0.441
+ 1114TIP3    H239733  -2.425   3.897   0.562
+ 1114TIP3   OH239734  -0.640   3.458   1.117
+ 1114TIP3    H139735  -0.729   3.499   1.122
+ 1114TIP3    H239736  -0.652   3.402   1.038
+ 1114TIP3   OH239737  -0.631   3.476  -0.397
+ 1114TIP3    H139738  -0.599   3.395  -0.440
+ 1114TIP3    H239739  -0.549   3.527  -0.389
+ 1114TIP3   OH239740  -2.405   3.450  -0.076
+ 1114TIP3    H139741  -2.500   3.453  -0.099
+ 1114TIP3    H239742  -2.364   3.509  -0.143
+ 1114TIP3   OH239743  -2.400   3.338   0.737
+ 1114TIP3    H139744  -2.471   3.310   0.796
+ 1114TIP3    H239745  -2.450   3.389   0.671
+ 1114TIP3   OH239746  -0.754   3.278   0.915
+ 1114TIP3    H139747  -0.834   3.299   0.864
+ 1114TIP3    H239748  -0.735   3.188   0.882
+ 1114TIP3   OH239749  -1.416   3.431   0.363
+ 1114TIP3    H139750  -1.482   3.362   0.379
+ 1114TIP3    H239751  -1.355   3.385   0.303
+ 1114TIP3   OH239752  -0.919   3.225   0.412
+ 1114TIP3    H139753  -0.841   3.267   0.373
+ 1114TIP3    H239754  -0.992   3.256   0.355
+ 1114TIP3   OH239755  -0.709   3.341   0.195
+ 1114TIP3    H139756  -0.638   3.297   0.143
+ 1114TIP3    H239757  -0.674   3.431   0.204
+ 1115TIP3   OH239758  -2.178   3.301   0.119
+ 1115TIP3    H139759  -2.263   3.287   0.074
+ 1115TIP3    H239760  -2.134   3.214   0.104
+ 1115TIP3   OH239761  -2.295   3.250  -0.295
+ 1115TIP3    H139762  -2.243   3.315  -0.345
+ 1115TIP3    H239763  -2.335   3.304  -0.226
+ 1115TIP3   OH239764  -1.732   3.288   0.107
+ 1115TIP3    H139765  -1.638   3.307   0.088
+ 1115TIP3    H239766  -1.728   3.267   0.201
+ 1115TIP3   OH239767  -1.178   3.267   0.251
+ 1115TIP3    H139768  -1.147   3.266   0.160
+ 1115TIP3    H239769  -1.193   3.173   0.268
+ 1115TIP3   OH239770  -1.059   3.288  -0.154
+ 1115TIP3    H139771  -1.142   3.336  -0.171
+ 1115TIP3    H239772  -1.092   3.198  -0.140
+ 1115TIP3   OH239773  -2.124   3.430  -0.449
+ 1115TIP3    H139774  -2.062   3.377  -0.502
+ 1115TIP3    H239775  -2.064   3.465  -0.380
+ 1115TIP3   OH239776  -1.617   3.451  -0.189
+ 1115TIP3    H139777  -1.582   3.389  -0.124
+ 1115TIP3    H239778  -1.591   3.536  -0.149
+ 1115TIP3   OH239779  -2.198   3.325   1.072
+ 1115TIP3    H139780  -2.235   3.242   1.107
+ 1115TIP3    H239781  -2.104   3.314   1.096
+ 1115TIP3   OH239782  -1.952   3.260   1.241
+ 1115TIP3    H139783  -1.869   3.224   1.204
+ 1115TIP3    H239784  -1.988   3.181   1.284
+ 1115TIP3   OH239785  -1.146   3.174   1.260
+ 1115TIP3    H139786  -1.142   3.133   1.348
+ 1115TIP3    H239787  -1.052   3.172   1.234
+ 1116TIP3   OH239788   0.492   4.123   0.429
+ 1116TIP3    H139789   0.496   4.102   0.524
+ 1116TIP3    H239790   0.463   4.037   0.394
+ 1116TIP3   OH239791  -0.262   4.081   0.613
+ 1116TIP3    H139792  -0.264   4.007   0.676
+ 1116TIP3    H239793  -0.191   4.135   0.652
+ 1116TIP3   OH239794  -0.492   3.886   0.007
+ 1116TIP3    H139795  -0.537   3.972   0.014
+ 1116TIP3    H239796  -0.561   3.832  -0.033
+ 1116TIP3   OH239797  -0.396   4.136   0.196
+ 1116TIP3    H139798  -0.399   4.055   0.250
+ 1116TIP3    H239799  -0.319   4.117   0.141
+ 1116TIP3   OH239800   1.212   3.523   0.572
+ 1116TIP3    H139801   1.236   3.584   0.643
+ 1116TIP3    H239802   1.273   3.552   0.501
+ 1116TIP3   OH239803   0.676   3.805   0.560
+ 1116TIP3    H139804   0.689   3.708   0.566
+ 1116TIP3    H239805   0.665   3.816   0.464
+ 1116TIP3   OH239806  -0.028   3.606   0.267
+ 1116TIP3    H139807  -0.015   3.691   0.220
+ 1116TIP3    H239808  -0.063   3.552   0.193
+ 1116TIP3   OH239809   0.758   3.623   0.098
+ 1116TIP3    H139810   0.815   3.579   0.165
+ 1116TIP3    H239811   0.825   3.667   0.043
+ 1116TIP3   OH239812  -0.360   3.878   0.317
+ 1116TIP3    H139813  -0.297   3.830   0.374
+ 1116TIP3    H239814  -0.351   3.829   0.234
+ 1116TIP3   OH239815   0.190   4.023   0.264
+ 1116TIP3    H139816   0.251   3.960   0.306
+ 1116TIP3    H239817   0.131   3.962   0.215
+ 1117TIP3   OH239818   1.285   3.660   0.821
+ 1117TIP3    H139819   1.226   3.732   0.791
+ 1117TIP3    H239820   1.262   3.656   0.914
+ 1117TIP3   OH239821  -0.147   3.485   0.683
+ 1117TIP3    H139822  -0.189   3.534   0.610
+ 1117TIP3    H239823  -0.213   3.498   0.754
+ 1117TIP3   OH239824   0.126   4.266   0.656
+ 1117TIP3    H139825   0.042   4.314   0.664
+ 1117TIP3    H239826   0.187   4.341   0.667
+ 1117TIP3   OH239827   0.940   3.547   0.301
+ 1117TIP3    H139828   0.902   3.486   0.366
+ 1117TIP3    H239829   0.992   3.606   0.358
+ 1117TIP3   OH239830  -0.188   3.689   0.476
+ 1117TIP3    H139831  -0.124   3.746   0.524
+ 1117TIP3    H239832  -0.130   3.652   0.406
+ 1117TIP3   OH239833   0.953   3.463   0.687
+ 1117TIP3    H139834   0.876   3.501   0.641
+ 1117TIP3    H239835   1.025   3.480   0.623
+ 1117TIP3   OH239836   0.266   3.234   0.392
+ 1117TIP3    H139837   0.244   3.139   0.386
+ 1117TIP3    H239838   0.184   3.272   0.429
+ 1117TIP3   OH239839   0.466   4.148  -0.117
+ 1117TIP3    H139840   0.402   4.198  -0.172
+ 1117TIP3    H239841   0.542   4.147  -0.177
+ 1117TIP3   OH239842   0.505   3.941  -0.413
+ 1117TIP3    H139843   0.578   3.981  -0.362
+ 1117TIP3    H239844   0.554   3.893  -0.481
+ 1117TIP3   OH239845   1.216   4.055   0.689
+ 1117TIP3    H139846   1.152   4.128   0.704
+ 1117TIP3    H239847   1.268   4.094   0.616
+ 1118TIP3   OH239848   0.818   4.156  -0.013
+ 1118TIP3    H139849   0.739   4.141   0.040
+ 1118TIP3    H239850   0.884   4.097   0.029
+ 1118TIP3   OH239851   0.808   3.981   0.859
+ 1118TIP3    H139852   0.812   4.057   0.919
+ 1118TIP3    H239853   0.752   4.018   0.789
+ 1118TIP3   OH239854  -0.027   4.200   0.159
+ 1118TIP3    H139855  -0.042   4.175   0.066
+ 1118TIP3    H239856   0.059   4.157   0.177
+ 1118TIP3   OH239857   0.043   4.065   0.500
+ 1118TIP3    H139858   0.100   4.075   0.421
+ 1118TIP3    H239859   0.072   4.141   0.555
+ 1118TIP3   OH239860   0.722   4.074  -0.265
+ 1118TIP3    H139861   0.781   4.106  -0.195
+ 1118TIP3    H239862   0.762   4.120  -0.344
+ 1118TIP3   OH239863  -0.173   4.147   0.886
+ 1118TIP3    H139864  -0.161   4.210   0.961
+ 1118TIP3    H239865  -0.270   4.141   0.884
+ 1118TIP3   OH239866   1.066   3.247  -0.328
+ 1118TIP3    H139867   0.979   3.256  -0.285
+ 1118TIP3    H239868   1.101   3.337  -0.322
+ 1118TIP3   OH239869  -0.126   4.090  -0.088
+ 1118TIP3    H139870  -0.142   4.168  -0.146
+ 1118TIP3    H239871  -0.186   4.024  -0.124
+ 1118TIP3   OH239872  -0.519   4.310   0.788
+ 1118TIP3    H139873  -0.528   4.291   0.694
+ 1118TIP3    H239874  -0.494   4.223   0.825
+ 1118TIP3   OH239875   1.006   3.837   1.093
+ 1118TIP3    H139876   0.957   3.875   1.019
+ 1118TIP3    H239877   1.013   3.744   1.066
+ 1119TIP3   OH239878   0.024   3.349   0.483
+ 1119TIP3    H139879  -0.058   3.342   0.430
+ 1119TIP3    H239880  -0.001   3.421   0.543
+ 1119TIP3   OH239881   0.461   3.307   0.848
+ 1119TIP3    H139882   0.513   3.254   0.910
+ 1119TIP3    H239883   0.370   3.272   0.860
+ 1119TIP3   OH239884   0.777   3.685   0.898
+ 1119TIP3    H139885   0.716   3.670   0.973
+ 1119TIP3    H239886   0.769   3.781   0.882
+ 1119TIP3   OH239887   0.856   4.173  -0.476
+ 1119TIP3    H139888   0.851   4.159  -0.572
+ 1119TIP3    H239889   0.943   4.215  -0.467
+ 1119TIP3   OH239890   0.442   3.557  -0.426
+ 1119TIP3    H139891   0.392   3.544  -0.344
+ 1119TIP3    H239892   0.400   3.490  -0.483
+ 1119TIP3   OH239893   0.010   3.823   0.627
+ 1119TIP3    H139894  -0.052   3.837   0.701
+ 1119TIP3    H239895   0.018   3.914   0.589
+ 1119TIP3   OH239896   0.005   3.837   0.111
+ 1119TIP3    H139897  -0.091   3.828   0.095
+ 1119TIP3    H239898   0.039   3.816   0.021
+ 1119TIP3   OH239899   0.571   3.906  -0.004
+ 1119TIP3    H139900   0.520   3.978  -0.046
+ 1119TIP3    H239901   0.630   3.879  -0.077
+ 1119TIP3   OH239902   0.483   3.922   1.134
+ 1119TIP3    H139903   0.434   3.843   1.164
+ 1119TIP3    H239904   0.573   3.904   1.169
+ 1119TIP3   OH239905   0.650   3.831   0.262
+ 1119TIP3    H139906   0.620   3.879   0.182
+ 1119TIP3    H239907   0.675   3.746   0.220
+ 1120TIP3   OH239908  -0.252   3.841   0.803
+ 1120TIP3    H139909  -0.231   3.878   0.889
+ 1120TIP3    H239910  -0.288   3.754   0.827
+ 1120TIP3   OH239911   0.085   3.602  -0.536
+ 1120TIP3    H139912   0.049   3.567  -0.453
+ 1120TIP3    H239913   0.006   3.617  -0.589
+ 1120TIP3   OH239914  -0.571   3.592   0.171
+ 1120TIP3    H139915  -0.511   3.587   0.247
+ 1120TIP3    H239916  -0.521   3.550   0.099
+ 1120TIP3   OH239917  -0.412   3.634  -0.257
+ 1120TIP3    H139918  -0.359   3.682  -0.324
+ 1120TIP3    H239919  -0.483   3.699  -0.240
+ 1120TIP3   OH239920   0.546   4.000   0.707
+ 1120TIP3    H139921   0.599   3.932   0.659
+ 1120TIP3    H239922   0.520   3.950   0.786
+ 1120TIP3   OH239923   0.282   3.598   0.216
+ 1120TIP3    H139924   0.187   3.590   0.237
+ 1120TIP3    H239925   0.322   3.571   0.301
+ 1120TIP3   OH239926  -0.263   3.717   0.082
+ 1120TIP3    H139927  -0.344   3.743   0.035
+ 1120TIP3    H239928  -0.234   3.637   0.034
+ 1120TIP3   OH239929   0.100   3.752  -0.149
+ 1120TIP3    H139930   0.197   3.758  -0.146
+ 1120TIP3    H239931   0.076   3.809  -0.224
+ 1120TIP3   OH239932   0.719   3.508   0.516
+ 1120TIP3    H139933   0.655   3.508   0.590
+ 1120TIP3    H239934   0.662   3.473   0.445
+ 1120TIP3   OH239935  -0.054   3.877  -0.372
+ 1120TIP3    H139936  -0.111   3.845  -0.444
+ 1120TIP3    H239937   0.027   3.898  -0.421
+ 1121TIP3   OH239938  -0.162   4.316   1.094
+ 1121TIP3    H139939  -0.106   4.365   1.158
+ 1121TIP3    H239940  -0.243   4.304   1.147
+ 1121TIP3   OH239941   0.386   3.855   0.399
+ 1121TIP3    H139942   0.453   3.805   0.351
+ 1121TIP3    H239943   0.365   3.795   0.473
+ 1121TIP3   OH239944  -0.091   3.487   0.016
+ 1121TIP3    H139945  -0.145   3.407   0.028
+ 1121TIP3    H239946  -0.010   3.450  -0.024
+ 1121TIP3   OH239947   0.281   3.698   0.617
+ 1121TIP3    H139948   0.200   3.752   0.624
+ 1121TIP3    H239949   0.330   3.720   0.699
+ 1121TIP3   OH239950   0.278  -4.331  -0.206
+ 1121TIP3    H139951   0.208  -4.391  -0.238
+ 1121TIP3    H239952   0.267  -4.329  -0.110
+ 1121TIP3   OH239953   1.040   4.266   0.679
+ 1121TIP3    H139954   1.068   4.311   0.597
+ 1121TIP3    H239955   0.945   4.258   0.659
+ 1121TIP3   OH239956   0.710   3.616  -0.411
+ 1121TIP3    H139957   0.611   3.614  -0.416
+ 1121TIP3    H239958   0.727   3.690  -0.350
+ 1121TIP3   OH239959   0.777   3.798  -0.202
+ 1121TIP3    H139960   0.866   3.781  -0.166
+ 1121TIP3    H239961   0.788   3.884  -0.247
+ 1121TIP3   OH239962  -0.161   4.252   0.387
+ 1121TIP3    H139963  -0.109   4.240   0.305
+ 1121TIP3    H239964  -0.159   4.163   0.425
+ 1121TIP3   OH239965  -0.462   4.079   0.916
+ 1121TIP3    H139966  -0.452   4.042   1.006
+ 1121TIP3    H239967  -0.536   4.028   0.879
+ 1122TIP3   OH239968   0.229   4.051   1.120
+ 1122TIP3    H139969   0.194   4.027   1.032
+ 1122TIP3    H239970   0.323   4.027   1.110
+ 1122TIP3   OH239971   1.235   3.798  -0.233
+ 1122TIP3    H139972   1.181   3.779  -0.311
+ 1122TIP3    H239973   1.248   3.893  -0.247
+ 1122TIP3   OH239974   0.783   4.186   0.541
+ 1122TIP3    H139975   0.692   4.173   0.511
+ 1122TIP3    H239976   0.834   4.133   0.478
+ 1122TIP3   OH239977  -0.363   4.094  -0.428
+ 1122TIP3    H139978  -0.304   4.155  -0.381
+ 1122TIP3    H239979  -0.448   4.112  -0.383
+ 1122TIP3   OH239980  -0.336   3.566   0.883
+ 1122TIP3    H139981  -0.427   3.589   0.855
+ 1122TIP3    H239982  -0.350   3.477   0.922
+ 1122TIP3   OH239983  -0.185  -4.387  -0.241
+ 1122TIP3    H139984  -0.277  -4.353  -0.230
+ 1122TIP3    H239985  -0.141  -4.306  -0.271
+ 1122TIP3   OH239986   0.560   3.549   0.736
+ 1122TIP3    H139987   0.623   3.576   0.805
+ 1122TIP3    H239988   0.512   3.474   0.778
+ 1122TIP3   OH239989   0.624   3.494  -0.138
+ 1122TIP3    H139990   0.643   3.545  -0.218
+ 1122TIP3    H239991   0.672   3.543  -0.070
+ 1122TIP3   OH239992   0.367   3.693  -0.043
+ 1122TIP3    H139993   0.444   3.750  -0.028
+ 1122TIP3    H239994   0.336   3.675   0.048
+ 1122TIP3   OH239995   0.407   3.792   0.874
+ 1122TIP3    H139996   0.411   3.839   0.958
+ 1122TIP3    H239997   0.454   3.710   0.895
+ 1123TIP3   OH239998   0.425   3.394   0.050
+ 1123TIP3    H139999   0.407   3.463   0.117
+ 1123TIP3    H240000   0.498   3.435  -0.001
+ 1123TIP3   OH240001  -0.002   3.494  -0.297
+ 1123TIP3    H140002  -0.000   3.570  -0.236
+ 1123TIP3    H240003   0.079   3.446  -0.270
+ 1123TIP3   OH240004   1.031   3.585   0.961
+ 1123TIP3    H140005   0.935   3.596   0.946
+ 1123TIP3    H240006   1.056   3.562   0.870
+ 1123TIP3   OH240007   0.882   3.967   0.357
+ 1123TIP3    H140008   0.800   3.919   0.336
+ 1123TIP3    H240009   0.932   3.901   0.409
+ 1123TIP3   OH240010  -0.350   3.800  -0.475
+ 1123TIP3    H140011  -0.335   3.895  -0.459
+ 1123TIP3    H240012  -0.434   3.800  -0.522
+ 1123TIP3   OH240013  -0.256   3.303   0.399
+ 1123TIP3    H140014  -0.275   3.299   0.303
+ 1123TIP3    H240015  -0.289   3.217   0.430
+ 1123TIP3   OH240016  -0.406   4.306   1.207
+ 1123TIP3    H140017  -0.427   4.211   1.208
+ 1123TIP3    H240018  -0.486   4.349   1.179
+ 1123TIP3   OH240019   0.185   4.329   1.158
+ 1123TIP3    H140020   0.186   4.345   1.062
+ 1123TIP3    H240021   0.219   4.237   1.163
+ 1123TIP3   OH240022   0.786  -4.376   0.933
+ 1123TIP3    H140023   0.866  -4.333   0.900
+ 1123TIP3    H240024   0.719  -4.309   0.915
+ 1123TIP3   OH240025  -0.348   4.024   1.178
+ 1123TIP3    H140026  -0.271   3.966   1.171
+ 1123TIP3    H240027  -0.347   4.045   1.273
+ 1124TIP3   OH240028   0.109   4.161  -0.303
+ 1124TIP3    H140029   0.040   4.115  -0.255
+ 1124TIP3    H240030   0.127   4.100  -0.377
+ 1124TIP3   OH240031   0.025   3.933   0.919
+ 1124TIP3    H140032  -0.033   4.010   0.935
+ 1124TIP3    H240033   0.087   3.969   0.854
+ 1124TIP3   OH240034   0.191   3.957  -0.488
+ 1124TIP3    H140035   0.190   3.972  -0.584
+ 1124TIP3    H240036   0.287   3.959  -0.470
+ 1124TIP3   OH240037   0.554   4.215   1.275
+ 1124TIP3    H140038   0.640   4.196   1.237
+ 1124TIP3    H240039   0.519   4.128   1.295
+ 1124TIP3   OH240040   1.125   4.189  -0.567
+ 1124TIP3    H140041   1.113   4.187  -0.663
+ 1124TIP3    H240042   1.124   4.285  -0.545
+ 1124TIP3   OH240043   0.082   3.663   1.030
+ 1124TIP3    H140044   0.087   3.597   0.958
+ 1124TIP3    H240045   0.060   3.744   0.980
+ 1124TIP3   OH240046   0.114   3.511   0.775
+ 1124TIP3    H140047   0.165   3.562   0.709
+ 1124TIP3    H240048   0.023   3.513   0.738
+ 1124TIP3   OH240049   0.264   4.066   0.806
+ 1124TIP3    H140050   0.348   4.053   0.760
+ 1124TIP3    H240051   0.230   4.148   0.766
+ 1124TIP3   OH240052   0.729   3.849   1.294
+ 1124TIP3    H140053   0.749   3.755   1.303
+ 1124TIP3    H240054   0.818   3.887   1.287
+ 1124TIP3   OH240055   0.823   4.136   1.128
+ 1124TIP3    H140056   0.800   4.208   1.064
+ 1124TIP3    H240057   0.914   4.118   1.101
+ 1125TIP3   OH240058  -0.104   3.851   1.209
+ 1125TIP3    H140059  -0.154   3.767   1.208
+ 1125TIP3    H240060  -0.021   3.824   1.165
+ 1125TIP3   OH240061   0.186   3.244   0.810
+ 1125TIP3    H140062   0.168   3.339   0.794
+ 1125TIP3    H240063   0.117   3.201   0.756
+ 1125TIP3   OH240064   0.313   3.702   1.188
+ 1125TIP3    H140065   0.279   3.680   1.276
+ 1125TIP3    H240066   0.234   3.682   1.134
+ 1125TIP3   OH240067   0.567   3.608   1.076
+ 1125TIP3    H140068   0.478   3.611   1.117
+ 1125TIP3    H240069   0.613   3.543   1.132
+ 1125TIP3   OH240070   0.751   3.455   1.247
+ 1125TIP3    H140071   0.737   3.359   1.262
+ 1125TIP3    H240072   0.733   3.493   1.335
+ 1125TIP3   OH240073  -0.231   3.594   1.193
+ 1125TIP3    H140074  -0.240   3.524   1.126
+ 1125TIP3    H240075  -0.254   3.546   1.275
+ 1125TIP3   OH240076   0.171   3.192   1.092
+ 1125TIP3    H140077   0.230   3.115   1.097
+ 1125TIP3    H240078   0.168   3.207   0.995
+ 1125TIP3   OH240079   0.265   3.379   1.277
+ 1125TIP3    H140080   0.236   3.319   1.205
+ 1125TIP3    H240081   0.195   3.446   1.278
+ 1125TIP3   OH240082   1.206   4.366  -0.118
+ 1125TIP3    H140083   1.299   4.361  -0.143
+ 1125TIP3    H240084   1.186   4.278  -0.082
+ 1125TIP3   OH240085   1.241   4.128   0.037
+ 1125TIP3    H140086   1.161   4.089   0.079
+ 1125TIP3    H240087   1.297   4.151   0.114
+ 1126TIP3   OH240088   1.258   4.093  -0.309
+ 1126TIP3    H140089   1.195   4.117  -0.380
+ 1126TIP3    H240090   1.246   4.167  -0.248
+ 1126TIP3   OH240091   1.086   3.843  -0.475
+ 1126TIP3    H140092   1.105   3.907  -0.545
+ 1126TIP3    H240093   1.062   3.763  -0.525
+ 1126TIP3   OH240094   1.005   3.967   0.109
+ 1126TIP3    H140095   1.011   3.870   0.098
+ 1126TIP3    H240096   0.976   3.974   0.203
+ 1126TIP3   OH240097  -0.501   4.186   0.511
+ 1126TIP3    H140098  -0.491   4.203   0.416
+ 1126TIP3    H240099  -0.410   4.161   0.537
+ 1126TIP3   OH240100   1.099   4.161   1.037
+ 1126TIP3    H140101   1.171   4.101   1.061
+ 1126TIP3    H240102   1.143   4.244   1.010
+ 1126TIP3   OH240103   1.242   3.965   1.152
+ 1126TIP3    H140104   1.161   3.912   1.134
+ 1126TIP3    H240105   1.310   3.896   1.156
+ 1126TIP3   OH240106   1.031   3.578  -0.557
+ 1126TIP3    H140107   1.089   3.529  -0.496
+ 1126TIP3    H240108   0.951   3.524  -0.562
+ 1126TIP3   OH240109   1.013   3.706  -0.059
+ 1126TIP3    H140110   1.038   3.611  -0.054
+ 1126TIP3    H240111   1.094   3.742  -0.101
+ 1126TIP3   OH240112   1.035   3.768   0.482
+ 1126TIP3    H140113   1.132   3.779   0.481
+ 1126TIP3    H240114   1.020   3.770   0.578
+ 1126TIP3   OH240115   1.052   3.837   0.765
+ 1126TIP3    H140116   0.966   3.875   0.789
+ 1126TIP3    H240117   1.103   3.918   0.741
+ 1127TIP3   OH240118  -0.501   3.716   1.135
+ 1127TIP3    H140119  -0.407   3.690   1.134
+ 1127TIP3    H240120  -0.545   3.630   1.139
+ 1127TIP3   OH240121   1.307   3.253   1.294
+ 1127TIP3    H140122   1.348   3.183   1.239
+ 1127TIP3    H240123   1.310   3.330   1.234
+ 1127TIP3   OH240124   1.059   3.427  -0.064
+ 1127TIP3    H140125   1.070   3.394   0.027
+ 1127TIP3    H240126   0.979   3.378  -0.092
+ 1127TIP3   OH240127  -0.423   3.547   0.412
+ 1127TIP3    H140128  -0.378   3.461   0.419
+ 1127TIP3    H240129  -0.354   3.607   0.447
+ 1127TIP3   OH240130  -0.568   3.815   0.518
+ 1127TIP3    H140131  -0.509   3.812   0.441
+ 1127TIP3    H240132  -0.535   3.894   0.563
+ 1127TIP3   OH240133   1.245   3.458   1.117
+ 1127TIP3    H140134   1.157   3.499   1.123
+ 1127TIP3    H240135   1.233   3.402   1.038
+ 1127TIP3   OH240136   1.255   3.475  -0.397
+ 1127TIP3    H140137   1.286   3.395  -0.442
+ 1127TIP3    H240138   1.336   3.527  -0.389
+ 1127TIP3   OH240139  -0.519   3.448  -0.078
+ 1127TIP3    H140140  -0.614   3.452  -0.098
+ 1127TIP3    H240141  -0.479   3.508  -0.143
+ 1127TIP3   OH240142  -0.514   3.339   0.739
+ 1127TIP3    H140143  -0.586   3.309   0.796
+ 1127TIP3    H240144  -0.564   3.387   0.670
+ 1127TIP3   OH240145   1.132   3.280   0.916
+ 1127TIP3    H140146   1.051   3.299   0.865
+ 1127TIP3    H240147   1.154   3.190   0.883
+ 1128TIP3   OH240148   0.473   3.431   0.361
+ 1128TIP3    H140149   0.405   3.362   0.377
+ 1128TIP3    H240150   0.535   3.383   0.302
+ 1128TIP3   OH240151   0.970   3.234   0.410
+ 1128TIP3    H140152   1.046   3.277   0.367
+ 1128TIP3    H240153   0.896   3.260   0.353
+ 1128TIP3   OH240154   1.177   3.343   0.195
+ 1128TIP3    H140155   1.248   3.300   0.144
+ 1128TIP3    H240156   1.211   3.434   0.204
+ 1128TIP3   OH240157  -0.299   3.295   0.118
+ 1128TIP3    H140158  -0.383   3.283   0.070
+ 1128TIP3    H240159  -0.258   3.207   0.104
+ 1128TIP3   OH240160  -0.412   3.252  -0.296
+ 1128TIP3    H140161  -0.358   3.317  -0.345
+ 1128TIP3    H240162  -0.449   3.305  -0.225
+ 1128TIP3   OH240163   0.156   3.285   0.105
+ 1128TIP3    H140164   0.249   3.311   0.091
+ 1128TIP3    H240165   0.153   3.272   0.200
+ 1128TIP3   OH240166   0.715   3.288   0.246
+ 1128TIP3    H140167   0.743   3.270   0.156
+ 1128TIP3    H240168   0.677   3.202   0.272
+ 1128TIP3   OH240169   0.826   3.288  -0.154
+ 1128TIP3    H140170   0.744   3.338  -0.169
+ 1128TIP3    H240171   0.792   3.198  -0.139
+ 1128TIP3   OH240172  -0.238   3.434  -0.451
+ 1128TIP3    H140173  -0.177   3.376  -0.501
+ 1128TIP3    H240174  -0.179   3.466  -0.380
+ 1128TIP3   OH240175   0.271   3.451  -0.190
+ 1128TIP3    H140176   0.306   3.392  -0.120
+ 1128TIP3    H240177   0.292   3.537  -0.151
+ 1129TIP3   OH240178  -0.311   3.325   1.072
+ 1129TIP3    H140179  -0.351   3.243   1.106
+ 1129TIP3    H240180  -0.218   3.312   1.097
+ 1129TIP3   OH240181  -0.072   3.264   1.245
+ 1129TIP3    H140182   0.010   3.229   1.204
+ 1129TIP3    H240183  -0.107   3.184   1.287
+ 1129TIP3   OH240184   0.740   3.175   1.262
+ 1129TIP3    H140185   0.744   3.132   1.349
+ 1129TIP3    H240186   0.834   3.171   1.235
+ 1129TIP3   OH240187   2.498   4.203   0.126
+ 1129TIP3    H140188   2.468   4.295   0.126
+ 1129TIP3    H240189   2.424   4.160   0.080
+ 1129TIP3   OH240190   2.377   4.133   0.454
+ 1129TIP3    H140191   2.382   4.079   0.535
+ 1129TIP3    H240192   2.354   4.068   0.387
+ 1129TIP3   OH240193   1.623   4.082   0.615
+ 1129TIP3    H140194   1.621   4.007   0.677
+ 1129TIP3    H240195   1.697   4.133   0.651
+ 1129TIP3   OH240196   1.393   3.885   0.007
+ 1129TIP3    H140197   1.350   3.972   0.014
+ 1129TIP3    H240198   1.324   3.832  -0.034
+ 1129TIP3   OH240199   1.487   4.135   0.194
+ 1129TIP3    H140200   1.486   4.055   0.250
+ 1129TIP3    H240201   1.567   4.120   0.143
+ 1129TIP3   OH240202   3.098   3.522   0.572
+ 1129TIP3    H140203   3.122   3.585   0.642
+ 1129TIP3    H240204   3.158   3.550   0.501
+ 1129TIP3   OH240205   2.561   3.804   0.560
+ 1129TIP3    H140206   2.575   3.707   0.564
+ 1129TIP3    H240207   2.552   3.818   0.465
+ 1130TIP3   OH240208   1.859   3.605   0.267
+ 1130TIP3    H140209   1.872   3.691   0.222
+ 1130TIP3    H240210   1.823   3.553   0.192
+ 1130TIP3   OH240211   2.643   3.622   0.098
+ 1130TIP3    H140212   2.702   3.580   0.165
+ 1130TIP3    H240213   2.709   3.667   0.043
+ 1130TIP3   OH240214   1.524   3.877   0.318
+ 1130TIP3    H140215   1.589   3.831   0.374
+ 1130TIP3    H240216   1.535   3.829   0.234
+ 1130TIP3   OH240217   2.068   4.018   0.266
+ 1130TIP3    H140218   2.135   3.960   0.305
+ 1130TIP3    H240219   2.013   3.954   0.216
+ 1130TIP3   OH240220   3.171   3.661   0.821
+ 1130TIP3    H140221   3.113   3.732   0.790
+ 1130TIP3    H240222   3.146   3.656   0.914
+ 1130TIP3   OH240223   1.737   3.484   0.683
+ 1130TIP3    H140224   1.697   3.535   0.611
+ 1130TIP3    H240225   1.672   3.498   0.754
+ 1130TIP3   OH240226   2.010   4.266   0.660
+ 1130TIP3    H140227   1.929   4.319   0.667
+ 1130TIP3    H240228   2.075   4.337   0.653
+ 1130TIP3   OH240229   2.826   3.546   0.302
+ 1130TIP3    H140230   2.786   3.488   0.369
+ 1130TIP3    H240231   2.878   3.607   0.357
+ 1130TIP3   OH240232   1.698   3.689   0.477
+ 1130TIP3    H140233   1.762   3.746   0.524
+ 1130TIP3    H240234   1.755   3.653   0.406
+ 1130TIP3   OH240235   2.839   3.461   0.686
+ 1130TIP3    H140236   2.762   3.501   0.641
+ 1130TIP3    H240237   2.911   3.481   0.624
+ 1131TIP3   OH240238   2.151   3.232   0.390
+ 1131TIP3    H140239   2.129   3.138   0.387
+ 1131TIP3    H240240   2.069   3.271   0.428
+ 1131TIP3   OH240241   2.349   4.144  -0.134
+ 1131TIP3    H140242   2.284   4.178  -0.198
+ 1131TIP3    H240243   2.427   4.134  -0.192
+ 1131TIP3   OH240244   2.390   3.942  -0.416
+ 1131TIP3    H140245   2.463   3.979  -0.363
+ 1131TIP3    H240246   2.439   3.892  -0.483
+ 1131TIP3   OH240247   3.102   4.056   0.691
+ 1131TIP3    H140248   3.036   4.128   0.703
+ 1131TIP3    H240249   3.153   4.094   0.616
+ 1131TIP3   OH240250   2.721   4.141  -0.033
+ 1131TIP3    H140251   2.655   4.162   0.036
+ 1131TIP3    H240252   2.787   4.090   0.017
+ 1131TIP3   OH240253   2.694   3.981   0.859
+ 1131TIP3    H140254   2.697   4.058   0.917
+ 1131TIP3    H240255   2.638   4.017   0.788
+ 1131TIP3   OH240256   1.872   4.205   0.162
+ 1131TIP3    H140257   1.853   4.181   0.069
+ 1131TIP3    H240258   1.953   4.154   0.179
+ 1131TIP3   OH240259   1.925   4.069   0.500
+ 1131TIP3    H140260   1.984   4.074   0.422
+ 1131TIP3    H240261   1.959   4.142   0.556
+ 1131TIP3   OH240262   2.601   4.075  -0.269
+ 1131TIP3    H140263   2.659   4.101  -0.194
+ 1131TIP3    H240264   2.648   4.119  -0.345
+ 1131TIP3   OH240265   1.713   4.148   0.887
+ 1131TIP3    H140266   1.724   4.211   0.961
+ 1131TIP3    H240267   1.616   4.139   0.886
+ 1132TIP3   OH240268   2.951   3.247  -0.328
+ 1132TIP3    H140269   2.865   3.258  -0.283
+ 1132TIP3    H240270   2.988   3.337  -0.323
+ 1132TIP3   OH240271   1.760   4.089  -0.088
+ 1132TIP3    H140272   1.745   4.167  -0.146
+ 1132TIP3    H240273   1.698   4.024  -0.125
+ 1132TIP3   OH240274   1.353   4.308   0.789
+ 1132TIP3    H140275   1.360   4.293   0.693
+ 1132TIP3    H240276   1.390   4.225   0.825
+ 1132TIP3   OH240277   2.893   3.838   1.093
+ 1132TIP3    H140278   2.842   3.876   1.020
+ 1132TIP3    H240279   2.898   3.744   1.066
+ 1132TIP3   OH240280   1.909   3.347   0.483
+ 1132TIP3    H140281   1.827   3.343   0.431
+ 1132TIP3    H240282   1.889   3.422   0.541
+ 1132TIP3   OH240283   2.346   3.305   0.846
+ 1132TIP3    H140284   2.399   3.254   0.910
+ 1132TIP3    H240285   2.256   3.272   0.860
+ 1132TIP3   OH240286   2.664   3.685   0.900
+ 1132TIP3    H140287   2.601   3.670   0.973
+ 1132TIP3    H240288   2.654   3.781   0.882
+ 1132TIP3   OH240289   2.740   4.177  -0.476
+ 1132TIP3    H140290   2.735   4.158  -0.571
+ 1132TIP3    H240291   2.829   4.215  -0.469
+ 1132TIP3   OH240292   2.326   3.558  -0.427
+ 1132TIP3    H140293   2.277   3.544  -0.345
+ 1132TIP3    H240294   2.286   3.490  -0.484
+ 1132TIP3   OH240295   1.895   3.824   0.626
+ 1132TIP3    H140296   1.835   3.838   0.701
+ 1132TIP3    H240297   1.904   3.914   0.588
+ 1133TIP3   OH240298   1.890   3.834   0.111
+ 1133TIP3    H140299   1.794   3.826   0.094
+ 1133TIP3    H240300   1.924   3.816   0.021
+ 1133TIP3   OH240301   2.450   3.899  -0.009
+ 1133TIP3    H140302   2.404   3.975  -0.049
+ 1133TIP3    H240303   2.518   3.879  -0.076
+ 1133TIP3   OH240304   2.370   3.921   1.133
+ 1133TIP3    H140305   2.319   3.843   1.165
+ 1133TIP3    H240306   2.458   3.904   1.170
+ 1133TIP3   OH240307   2.533   3.830   0.266
+ 1133TIP3    H140308   2.506   3.885   0.190
+ 1133TIP3    H240309   2.559   3.749   0.218
+ 1133TIP3   OH240310   1.634   3.841   0.803
+ 1133TIP3    H140311   1.655   3.878   0.889
+ 1133TIP3    H240312   1.598   3.754   0.827
+ 1133TIP3   OH240313   1.970   3.603  -0.536
+ 1133TIP3    H140314   1.934   3.567  -0.453
+ 1133TIP3    H240315   1.891   3.616  -0.590
+ 1133TIP3   OH240316   1.314   3.591   0.171
+ 1133TIP3    H140317   1.375   3.588   0.247
+ 1133TIP3    H240318   1.365   3.552   0.099
+ 1133TIP3   OH240319   1.473   3.634  -0.258
+ 1133TIP3    H140320   1.527   3.682  -0.324
+ 1133TIP3    H240321   1.403   3.699  -0.240
+ 1133TIP3   OH240322   2.432   3.997   0.710
+ 1133TIP3    H140323   2.486   3.930   0.662
+ 1133TIP3    H240324   2.405   3.945   0.787
+ 1133TIP3   OH240325   2.166   3.592   0.214
+ 1133TIP3    H140326   2.071   3.591   0.237
+ 1133TIP3    H240327   2.207   3.576   0.301
+ 1134TIP3   OH240328   1.622   3.716   0.083
+ 1134TIP3    H140329   1.541   3.744   0.035
+ 1134TIP3    H240330   1.651   3.638   0.034
+ 1134TIP3   OH240331   1.987   3.751  -0.150
+ 1134TIP3    H140332   2.083   3.759  -0.146
+ 1134TIP3    H240333   1.962   3.810  -0.224
+ 1134TIP3   OH240334   2.605   3.507   0.516
+ 1134TIP3    H140335   2.541   3.508   0.591
+ 1134TIP3    H240336   2.547   3.474   0.445
+ 1134TIP3   OH240337   1.830   3.876  -0.372
+ 1134TIP3    H140338   1.774   3.844  -0.445
+ 1134TIP3    H240339   1.912   3.897  -0.420
+ 1134TIP3   OH240340   1.724   4.316   1.094
+ 1134TIP3    H140341   1.780   4.364   1.158
+ 1134TIP3    H240342   1.643   4.304   1.148
+ 1134TIP3   OH240343   2.266   3.848   0.395
+ 1134TIP3    H140344   2.343   3.809   0.352
+ 1134TIP3    H240345   2.253   3.789   0.472
+ 1134TIP3   OH240346   1.799   3.489   0.015
+ 1134TIP3    H140347   1.743   3.411   0.028
+ 1134TIP3    H240348   1.877   3.452  -0.027
+ 1134TIP3   OH240349   2.165   3.693   0.621
+ 1134TIP3    H140350   2.088   3.753   0.622
+ 1134TIP3    H240351   2.215   3.721   0.700
+ 1134TIP3   OH240352   2.130   4.365  -0.160
+ 1134TIP3    H140353   2.099   4.302  -0.227
+ 1134TIP3    H240354   2.193   4.317  -0.106
+ 1134TIP3   OH240355   2.926   4.266   0.678
+ 1134TIP3    H140356   2.951   4.312   0.596
+ 1134TIP3    H240357   2.831   4.256   0.659
+ 1135TIP3   OH240358   2.595   3.615  -0.411
+ 1135TIP3    H140359   2.497   3.614  -0.416
+ 1135TIP3    H240360   2.614   3.689  -0.350
+ 1135TIP3   OH240361   2.663   3.798  -0.204
+ 1135TIP3    H140362   2.751   3.781  -0.166
+ 1135TIP3    H240363   2.675   3.884  -0.247
+ 1135TIP3   OH240364   1.719   4.247   0.380
+ 1135TIP3    H140365   1.779   4.239   0.303
+ 1135TIP3    H240366   1.733   4.162   0.424
+ 1135TIP3   OH240367   1.427   4.080   0.915
+ 1135TIP3    H140368   1.436   4.043   1.005
+ 1135TIP3    H240369   1.352   4.030   0.878
+ 1135TIP3   OH240370   2.115   4.049   1.120
+ 1135TIP3    H140371   2.081   4.028   1.031
+ 1135TIP3    H240372   2.209   4.028   1.110
+ 1135TIP3   OH240373   3.120   3.798  -0.230
+ 1135TIP3    H140374   3.067   3.777  -0.310
+ 1135TIP3    H240375   3.134   3.893  -0.247
+ 1135TIP3   OH240376   2.668   4.181   0.546
+ 1135TIP3    H140377   2.577   4.182   0.513
+ 1135TIP3    H240378   2.716   4.134   0.475
+ 1135TIP3   OH240379   1.523   4.095  -0.429
+ 1135TIP3    H140380   1.582   4.155  -0.381
+ 1135TIP3    H240381   1.438   4.112  -0.383
+ 1135TIP3   OH240382   1.549   3.565   0.882
+ 1135TIP3    H140383   1.459   3.590   0.856
+ 1135TIP3    H240384   1.535   3.477   0.923
+ 1135TIP3   OH240385   1.699  -4.387  -0.244
+ 1135TIP3    H140386   1.609  -4.352  -0.229
+ 1135TIP3    H240387   1.746  -4.306  -0.268
+ 1136TIP3   OH240388   2.447   3.549   0.736
+ 1136TIP3    H140389   2.508   3.576   0.805
+ 1136TIP3    H240390   2.398   3.475   0.777
+ 1136TIP3   OH240391   2.509   3.493  -0.138
+ 1136TIP3    H140392   2.528   3.544  -0.218
+ 1136TIP3    H240393   2.557   3.543  -0.070
+ 1136TIP3   OH240394   2.253   3.692  -0.044
+ 1136TIP3    H140395   2.329   3.751  -0.029
+ 1136TIP3    H240396   2.223   3.676   0.048
+ 1136TIP3   OH240397   2.292   3.791   0.874
+ 1136TIP3    H140398   2.296   3.840   0.957
+ 1136TIP3    H240399   2.340   3.711   0.896
+ 1136TIP3   OH240400   2.310   3.393   0.051
+ 1136TIP3    H140401   2.289   3.463   0.115
+ 1136TIP3    H240402   2.383   3.434   0.000
+ 1136TIP3   OH240403   1.883   3.494  -0.297
+ 1136TIP3    H140404   1.886   3.571  -0.237
+ 1136TIP3    H240405   1.965   3.447  -0.270
+ 1136TIP3   OH240406   2.917   3.584   0.961
+ 1136TIP3    H140407   2.821   3.597   0.946
+ 1136TIP3    H240408   2.942   3.562   0.870
+ 1136TIP3   OH240409   2.769   3.967   0.356
+ 1136TIP3    H140410   2.685   3.923   0.337
+ 1136TIP3    H240411   2.816   3.899   0.409
+ 1136TIP3   OH240412   1.536   3.800  -0.475
+ 1136TIP3    H140413   1.551   3.895  -0.459
+ 1136TIP3    H240414   1.452   3.801  -0.522
+ 1136TIP3   OH240415   1.633   3.303   0.400
+ 1136TIP3    H140416   1.613   3.302   0.304
+ 1136TIP3    H240417   1.595   3.218   0.430
+ 1137TIP3   OH240418   1.479   4.307   1.206
+ 1137TIP3    H140419   1.458   4.212   1.210
+ 1137TIP3    H240420   1.398   4.350   1.179
+ 1137TIP3   OH240421   2.070   4.329   1.160
+ 1137TIP3    H140422   2.071   4.346   1.063
+ 1137TIP3    H240423   2.105   4.237   1.163
+ 1137TIP3   OH240424   2.672  -4.376   0.934
+ 1137TIP3    H140425   2.751  -4.332   0.899
+ 1137TIP3    H240426   2.603  -4.311   0.913
+ 1137TIP3   OH240427   1.537   4.024   1.178
+ 1137TIP3    H140428   1.615   3.966   1.171
+ 1137TIP3    H240429   1.539   4.045   1.273
+ 1137TIP3   OH240430   1.995   4.161  -0.314
+ 1137TIP3    H140431   1.930   4.119  -0.257
+ 1137TIP3    H240432   2.010   4.092  -0.382
+ 1137TIP3   OH240433   1.911   3.933   0.918
+ 1137TIP3    H140434   1.853   4.010   0.935
+ 1137TIP3    H240435   1.973   3.970   0.853
+ 1137TIP3   OH240436   2.078   3.957  -0.487
+ 1137TIP3    H140437   2.076   3.971  -0.584
+ 1137TIP3    H240438   2.174   3.956  -0.470
+ 1137TIP3   OH240439   2.440   4.216   1.273
+ 1137TIP3    H140440   2.526   4.194   1.236
+ 1137TIP3    H240441   2.404   4.130   1.297
+ 1137TIP3   OH240442   3.007   4.189  -0.565
+ 1137TIP3    H140443   3.003   4.181  -0.661
+ 1137TIP3    H240444   3.012   4.285  -0.549
+ 1137TIP3   OH240445   1.967   3.664   1.029
+ 1137TIP3    H140446   1.973   3.598   0.958
+ 1137TIP3    H240447   1.946   3.745   0.980
+ 1138TIP3   OH240448   2.000   3.509   0.773
+ 1138TIP3    H140449   2.052   3.563   0.711
+ 1138TIP3    H240450   1.909   3.515   0.738
+ 1138TIP3   OH240451   2.150   4.066   0.805
+ 1138TIP3    H140452   2.234   4.055   0.758
+ 1138TIP3    H240453   2.115   4.148   0.765
+ 1138TIP3   OH240454   2.614   3.849   1.293
+ 1138TIP3    H140455   2.634   3.755   1.305
+ 1138TIP3    H240456   2.703   3.887   1.287
+ 1138TIP3   OH240457   2.709   4.137   1.129
+ 1138TIP3    H140458   2.685   4.208   1.065
+ 1138TIP3    H240459   2.800   4.118   1.099
+ 1138TIP3   OH240460   1.781   3.851   1.208
+ 1138TIP3    H140461   1.731   3.767   1.208
+ 1138TIP3    H240462   1.864   3.825   1.165
+ 1138TIP3   OH240463   2.072   3.243   0.809
+ 1138TIP3    H140464   2.056   3.338   0.793
+ 1138TIP3    H240465   2.000   3.203   0.756
+ 1138TIP3   OH240466   2.200   3.701   1.188
+ 1138TIP3    H140467   2.164   3.681   1.276
+ 1138TIP3    H240468   2.120   3.682   1.134
+ 1138TIP3   OH240469   2.451   3.607   1.075
+ 1138TIP3    H140470   2.363   3.612   1.117
+ 1138TIP3    H240471   2.497   3.543   1.133
+ 1138TIP3   OH240472   2.639   3.454   1.248
+ 1138TIP3    H140473   2.621   3.359   1.263
+ 1138TIP3    H240474   2.618   3.494   1.334
+ 1138TIP3   OH240475   1.654   3.594   1.193
+ 1138TIP3    H140476   1.646   3.524   1.126
+ 1138TIP3    H240477   1.631   3.546   1.275
+ 1139TIP3   OH240478   2.056   3.192   1.091
+ 1139TIP3    H140479   2.115   3.115   1.097
+ 1139TIP3    H240480   2.054   3.207   0.995
+ 1139TIP3   OH240481   2.150   3.379   1.277
+ 1139TIP3    H140482   2.119   3.319   1.205
+ 1139TIP3    H240483   2.082   3.447   1.279
+ 1139TIP3   OH240484   3.089   4.361  -0.127
+ 1139TIP3    H140485   3.184   4.362  -0.141
+ 1139TIP3    H240486   3.073   4.279  -0.079
+ 1139TIP3   OH240487   3.125   4.134   0.039
+ 1139TIP3    H140488   3.049   4.088   0.079
+ 1139TIP3    H240489   3.184   4.150   0.115
+ 1139TIP3   OH240490   3.139   4.091  -0.305
+ 1139TIP3    H140491   3.080   4.115  -0.379
+ 1139TIP3    H240492   3.130   4.168  -0.248
+ 1139TIP3   OH240493   2.970   3.844  -0.476
+ 1139TIP3    H140494   2.992   3.906  -0.547
+ 1139TIP3    H240495   2.947   3.762  -0.524
+ 1139TIP3   OH240496   2.899   3.966   0.113
+ 1139TIP3    H140497   2.898   3.870   0.099
+ 1139TIP3    H240498   2.864   3.973   0.204
+ 1139TIP3   OH240499   1.386   4.188   0.511
+ 1139TIP3    H140500   1.396   4.203   0.416
+ 1139TIP3    H240501   1.477   4.160   0.536
+ 1139TIP3   OH240502   2.985   4.161   1.036
+ 1139TIP3    H140503   3.058   4.101   1.062
+ 1139TIP3    H240504   3.029   4.244   1.010
+ 1139TIP3   OH240505   3.128   3.965   1.151
+ 1139TIP3    H140506   3.047   3.913   1.133
+ 1139TIP3    H240507   3.196   3.895   1.155
+ 1140TIP3   OH240508   2.915   3.580  -0.554
+ 1140TIP3    H140509   2.976   3.529  -0.498
+ 1140TIP3    H240510   2.837   3.523  -0.562
+ 1140TIP3   OH240511   2.898   3.706  -0.060
+ 1140TIP3    H140512   2.923   3.611  -0.055
+ 1140TIP3    H240513   2.978   3.743  -0.101
+ 1140TIP3   OH240514   2.920   3.766   0.482
+ 1140TIP3    H140515   3.017   3.779   0.480
+ 1140TIP3    H240516   2.905   3.771   0.578
+ 1140TIP3   OH240517   2.938   3.837   0.766
+ 1140TIP3    H140518   2.851   3.875   0.789
+ 1140TIP3    H240519   2.988   3.918   0.741
+ 1140TIP3   OH240520   1.385   3.716   1.133
+ 1140TIP3    H140521   1.478   3.690   1.135
+ 1140TIP3    H240522   1.341   3.629   1.139
+ 1140TIP3   OH240523   3.194   3.253   1.294
+ 1140TIP3    H140524   3.234   3.184   1.239
+ 1140TIP3    H240525   3.196   3.330   1.234
+ 1140TIP3   OH240526   2.944   3.427  -0.064
+ 1140TIP3    H140527   2.957   3.395   0.027
+ 1140TIP3    H240528   2.864   3.378  -0.091
+ 1140TIP3   OH240529   1.463   3.547   0.412
+ 1140TIP3    H140530   1.509   3.462   0.420
+ 1140TIP3    H240531   1.531   3.608   0.446
+ 1140TIP3   OH240532   1.317   3.815   0.518
+ 1140TIP3    H140533   1.377   3.812   0.441
+ 1140TIP3    H240534   1.350   3.893   0.564
+ 1140TIP3   OH240535   3.131   3.458   1.118
+ 1140TIP3    H140536   3.043   3.500   1.122
+ 1140TIP3    H240537   3.119   3.403   1.039
+ 1141TIP3   OH240538   3.142   3.475  -0.396
+ 1141TIP3    H140539   3.173   3.396  -0.443
+ 1141TIP3    H240540   3.223   3.530  -0.393
+ 1141TIP3   OH240541   1.367   3.448  -0.079
+ 1141TIP3    H140542   1.272   3.453  -0.099
+ 1141TIP3    H240543   1.407   3.509  -0.144
+ 1141TIP3   OH240544   1.371   3.337   0.737
+ 1141TIP3    H140545   1.301   3.309   0.797
+ 1141TIP3    H240546   1.321   3.389   0.671
+ 1141TIP3   OH240547   3.017   3.280   0.916
+ 1141TIP3    H140548   2.937   3.301   0.865
+ 1141TIP3    H240549   3.039   3.191   0.883
+ 1141TIP3   OH240550   2.360   3.428   0.365
+ 1141TIP3    H140551   2.290   3.361   0.375
+ 1141TIP3    H240552   2.420   3.384   0.302
+ 1141TIP3   OH240553   2.855   3.232   0.409
+ 1141TIP3    H140554   2.931   3.276   0.368
+ 1141TIP3    H240555   2.781   3.263   0.353
+ 1141TIP3   OH240556   3.062   3.342   0.195
+ 1141TIP3    H140557   3.134   3.300   0.144
+ 1141TIP3    H240558   3.095   3.434   0.204
+ 1141TIP3   OH240559   1.594   3.302   0.119
+ 1141TIP3    H140560   1.508   3.290   0.074
+ 1141TIP3    H240561   1.635   3.215   0.103
+ 1141TIP3   OH240562   1.477   3.250  -0.294
+ 1141TIP3    H140563   1.528   3.316  -0.345
+ 1141TIP3    H240564   1.436   3.305  -0.225
+ 1141TIP3   OH240565   2.043   3.272   0.102
+ 1141TIP3    H140566   2.131   3.310   0.090
+ 1141TIP3    H240567   2.038   3.268   0.198
+ 1142TIP3   OH240568   2.601   3.288   0.246
+ 1142TIP3    H140569   2.629   3.274   0.154
+ 1142TIP3    H240570   2.564   3.202   0.270
+ 1142TIP3   OH240571   2.712   3.288  -0.152
+ 1142TIP3    H140572   2.630   3.339  -0.169
+ 1142TIP3    H240573   2.677   3.197  -0.145
+ 1142TIP3   OH240574   1.647   3.432  -0.450
+ 1142TIP3    H140575   1.708   3.376  -0.502
+ 1142TIP3    H240576   1.707   3.465  -0.381
+ 1142TIP3   OH240577   2.156   3.450  -0.188
+ 1142TIP3    H140578   2.194   3.394  -0.118
+ 1142TIP3    H240579   2.177   3.538  -0.153
+ 1142TIP3   OH240580   1.575   3.324   1.071
+ 1142TIP3    H140581   1.535   3.243   1.106
+ 1142TIP3    H240582   1.667   3.312   1.098
+ 1142TIP3   OH240583   1.813   3.263   1.244
+ 1142TIP3    H140584   1.895   3.228   1.204
+ 1142TIP3    H240585   1.778   3.184   1.288
+ 1142TIP3   OH240586   2.626   3.174   1.261
+ 1142TIP3    H140587   2.629   3.133   1.349
+ 1142TIP3    H240588   2.720   3.171   1.235
+ 1142TIP3   OH240589   4.199   4.097   0.478
+ 1142TIP3    H140590   4.280   4.132   0.518
+ 1142TIP3    H240591   4.225   4.086   0.386
+ 1142TIP3   OH240592   3.507   4.083   0.615
+ 1142TIP3    H140593   3.507   4.007   0.677
+ 1142TIP3    H240594   3.584   4.132   0.647
+ 1142TIP3   OH240595   3.277   3.885   0.010
+ 1142TIP3    H140596   3.234   3.972   0.012
+ 1142TIP3    H240597   3.211   3.832  -0.036
+ 1143TIP3   OH240598   3.374   4.136   0.195
+ 1143TIP3    H140599   3.372   4.054   0.249
+ 1143TIP3    H240600   3.451   4.118   0.140
+ 1143TIP3   OH240601   3.746   3.607   0.268
+ 1143TIP3    H140602   3.758   3.692   0.221
+ 1143TIP3    H240603   3.711   3.553   0.193
+ 1143TIP3   OH240604   3.410   3.877   0.318
+ 1143TIP3    H140605   3.474   3.830   0.373
+ 1143TIP3    H240606   3.420   3.830   0.233
+ 1143TIP3   OH240607   3.953   4.015   0.268
+ 1143TIP3    H140608   4.026   3.959   0.301
+ 1143TIP3    H240609   3.901   3.950   0.218
+ 1143TIP3   OH240610   3.624   3.484   0.683
+ 1143TIP3    H140611   3.584   3.533   0.610
+ 1143TIP3    H240612   3.557   3.499   0.753
+ 1143TIP3   OH240613   3.894   4.263   0.667
+ 1143TIP3    H140614   3.814   4.318   0.666
+ 1143TIP3    H240615   3.962   4.331   0.655
+ 1143TIP3   OH240616   3.584   3.688   0.477
+ 1143TIP3    H140617   3.649   3.746   0.522
+ 1143TIP3    H240618   3.641   3.653   0.405
+ 1143TIP3   OH240619   4.043   3.231   0.398
+ 1143TIP3    H140620   4.015   3.138   0.395
+ 1143TIP3    H240621   3.963   3.274   0.434
+ 1143TIP3   OH240622   4.263   4.123  -0.137
+ 1143TIP3    H140623   4.194   4.185  -0.166
+ 1143TIP3    H240624   4.329   4.138  -0.204
+ 1143TIP3   OH240625   4.274   3.931  -0.400
+ 1143TIP3    H140626   4.359   3.973  -0.384
+ 1143TIP3    H240627   4.272   3.913  -0.494
+ 1144TIP3   OH240628   3.755   4.203   0.161
+ 1144TIP3    H140629   3.737   4.177   0.069
+ 1144TIP3    H240630   3.837   4.153   0.180
+ 1144TIP3   OH240631   3.810   4.069   0.501
+ 1144TIP3    H140632   3.872   4.069   0.424
+ 1144TIP3    H240633   3.847   4.141   0.557
+ 1144TIP3   OH240634   3.599   4.145   0.888
+ 1144TIP3    H140635   3.610   4.210   0.962
+ 1144TIP3    H240636   3.502   4.139   0.885
+ 1144TIP3   OH240637   3.643   4.092  -0.086
+ 1144TIP3    H140638   3.635   4.166  -0.150
+ 1144TIP3    H240639   3.596   4.022  -0.131
+ 1144TIP3   OH240640   3.244   4.309   0.789
+ 1144TIP3    H140641   3.244   4.292   0.694
+ 1144TIP3    H240642   3.276   4.224   0.825
+ 1144TIP3   OH240643   3.797   3.347   0.482
+ 1144TIP3    H140644   3.716   3.340   0.429
+ 1144TIP3    H240645   3.774   3.422   0.539
+ 1144TIP3   OH240646   4.233   3.283   0.909
+ 1144TIP3    H140647   4.244   3.211   0.971
+ 1144TIP3    H240648   4.141   3.267   0.877
+ 1144TIP3   OH240649   4.240   3.555  -0.418
+ 1144TIP3    H140650   4.168   3.553  -0.353
+ 1144TIP3    H240651   4.202   3.496  -0.486
+ 1144TIP3   OH240652   3.781   3.825   0.627
+ 1144TIP3    H140653   3.716   3.839   0.698
+ 1144TIP3    H240654   3.789   3.915   0.588
+ 1144TIP3   OH240655   3.776   3.832   0.108
+ 1144TIP3    H140656   3.680   3.826   0.093
+ 1144TIP3    H240657   3.808   3.822   0.016
+ 1145TIP3   OH240658   4.282   3.870   0.030
+ 1145TIP3    H140659   4.260   3.962   0.006
+ 1145TIP3    H240660   4.315   3.835  -0.052
+ 1145TIP3   OH240661   4.256   3.923   1.177
+ 1145TIP3    H140662   4.196   3.845   1.169
+ 1145TIP3    H240663   4.340   3.879   1.155
+ 1145TIP3   OH240664   3.522   3.841   0.803
+ 1145TIP3    H140665   3.538   3.879   0.890
+ 1145TIP3    H240666   3.484   3.754   0.826
+ 1145TIP3   OH240667   3.869   3.573  -0.540
+ 1145TIP3    H140668   3.816   3.555  -0.460
+ 1145TIP3    H240669   3.812   3.638  -0.585
+ 1145TIP3   OH240670   3.198   3.588   0.173
+ 1145TIP3    H140671   3.261   3.588   0.247
+ 1145TIP3    H240672   3.249   3.554   0.098
+ 1145TIP3   OH240673   3.363   3.635  -0.250
+ 1145TIP3    H140674   3.411   3.677  -0.325
+ 1145TIP3    H240675   3.290   3.698  -0.241
+ 1145TIP3   OH240676   4.351   3.969   0.749
+ 1145TIP3    H140677   4.380   3.904   0.682
+ 1145TIP3    H240678   4.270   3.925   0.781
+ 1145TIP3   OH240679   4.049   3.576   0.219
+ 1145TIP3    H140680   3.954   3.585   0.239
+ 1145TIP3    H240681   4.088   3.589   0.307
+ 1145TIP3   OH240682   3.505   3.715   0.084
+ 1145TIP3    H140683   3.428   3.744   0.033
+ 1145TIP3    H240684   3.538   3.638   0.034
+ 1145TIP3   OH240685   3.861   3.762  -0.168
+ 1145TIP3    H140686   3.957   3.772  -0.162
+ 1145TIP3    H240687   3.838   3.817  -0.246
+ 1146TIP3   OH240688   3.610   4.317   1.094
+ 1146TIP3    H140689   3.666   4.365   1.157
+ 1146TIP3    H240690   3.529   4.304   1.148
+ 1146TIP3   OH240691   4.144   3.824   0.356
+ 1146TIP3    H140692   4.217   3.782   0.309
+ 1146TIP3    H240693   4.165   3.803   0.449
+ 1146TIP3   OH240694   3.685   3.489   0.020
+ 1146TIP3    H140695   3.627   3.412   0.027
+ 1146TIP3    H240696   3.757   3.455  -0.035
+ 1146TIP3   OH240697   4.050   3.685   0.623
+ 1146TIP3    H140698   3.979   3.749   0.611
+ 1146TIP3    H240699   4.102   3.725   0.694
+ 1146TIP3   OH240700   4.076   4.349  -0.169
+ 1146TIP3    H140701   4.010   4.299  -0.223
+ 1146TIP3    H240702   4.053   4.323  -0.079
+ 1146TIP3   OH240703   3.609   4.251   0.383
+ 1146TIP3    H140704   3.666   4.241   0.303
+ 1146TIP3    H240705   3.617   4.164   0.423
+ 1146TIP3   OH240706   3.312   4.079   0.915
+ 1146TIP3    H140707   3.319   4.042   1.005
+ 1146TIP3    H240708   3.237   4.031   0.877
+ 1146TIP3   OH240709   4.001   4.047   1.124
+ 1146TIP3    H140710   3.966   4.023   1.037
+ 1146TIP3    H240711   4.096   4.035   1.112
+ 1146TIP3   OH240712   3.396   4.106  -0.439
+ 1146TIP3    H140713   3.472   4.137  -0.386
+ 1146TIP3    H240714   3.322   4.119  -0.378
+ 1146TIP3   OH240715   3.435   3.566   0.884
+ 1146TIP3    H140716   3.344   3.590   0.855
+ 1146TIP3    H240717   3.420   3.477   0.921
+ 1147TIP3   OH240718   3.589  -4.383  -0.242
+ 1147TIP3    H140719   3.496  -4.355  -0.231
+ 1147TIP3    H240720   3.629  -4.300  -0.271
+ 1147TIP3   OH240721   4.334   3.592   0.793
+ 1147TIP3    H140722   4.384   3.514   0.818
+ 1147TIP3    H240723   4.275   3.555   0.725
+ 1147TIP3   OH240724   4.119   3.667  -0.043
+ 1147TIP3    H140725   4.179   3.740  -0.017
+ 1147TIP3    H240726   4.082   3.648   0.045
+ 1147TIP3   OH240727   4.167   3.788   0.874
+ 1147TIP3    H140728   4.188   3.833   0.956
+ 1147TIP3    H240729   4.233   3.716   0.871
+ 1147TIP3   OH240730   4.196   3.388   0.078
+ 1147TIP3    H140731   4.166   3.469   0.126
+ 1147TIP3    H240732   4.270   3.423   0.025
+ 1147TIP3   OH240733   3.763   3.493  -0.291
+ 1147TIP3    H140734   3.769   3.579  -0.244
+ 1147TIP3    H240735   3.850   3.453  -0.274
+ 1147TIP3   OH240736   3.389   3.784  -0.478
+ 1147TIP3    H140737   3.453   3.858  -0.475
+ 1147TIP3    H240738   3.308   3.827  -0.507
+ 1147TIP3   OH240739   3.516   3.304   0.401
+ 1147TIP3    H140740   3.499   3.303   0.304
+ 1147TIP3    H240741   3.482   3.218   0.430
+ 1147TIP3   OH240742   3.366   4.306   1.206
+ 1147TIP3    H140743   3.344   4.211   1.208
+ 1147TIP3    H240744   3.285   4.350   1.180
+ 1147TIP3   OH240745   3.957   4.332   1.162
+ 1147TIP3    H140746   3.955   4.347   1.065
+ 1147TIP3    H240747   3.996   4.242   1.167
+ 1148TIP3   OH240748   3.423   4.024   1.178
+ 1148TIP3    H140749   3.500   3.966   1.171
+ 1148TIP3    H240750   3.424   4.045   1.273
+ 1148TIP3   OH240751   3.903   4.162  -0.299
+ 1148TIP3    H140752   3.827   4.123  -0.254
+ 1148TIP3    H240753   3.897   4.110  -0.381
+ 1148TIP3   OH240754   3.800   3.937   0.923
+ 1148TIP3    H140755   3.739   4.012   0.934
+ 1148TIP3    H240756   3.853   3.967   0.848
+ 1148TIP3   OH240757   4.280   4.196   1.281
+ 1148TIP3    H140758   4.346   4.175   1.215
+ 1148TIP3    H240759   4.251   4.108   1.306
+ 1148TIP3   OH240760   3.858   3.664   1.032
+ 1148TIP3    H140761   3.862   3.599   0.959
+ 1148TIP3    H240762   3.839   3.746   0.983
+ 1148TIP3   OH240763   3.887   3.510   0.773
+ 1148TIP3    H140764   3.936   3.567   0.710
+ 1148TIP3    H240765   3.795   3.513   0.738
+ 1148TIP3   OH240766   4.060   4.064   0.799
+ 1148TIP3    H140767   4.131   4.059   0.733
+ 1148TIP3    H240768   4.014   4.144   0.771
+ 1148TIP3   OH240769   3.669   3.849   1.211
+ 1148TIP3    H140770   3.618   3.766   1.207
+ 1148TIP3    H240771   3.750   3.825   1.164
+ 1148TIP3   OH240772   3.971   3.248   0.811
+ 1148TIP3    H140773   3.947   3.341   0.792
+ 1148TIP3    H240774   3.906   3.201   0.755
+ 1148TIP3   OH240775   4.104   3.692   1.183
+ 1148TIP3    H140776   4.065   3.672   1.269
+ 1148TIP3    H240777   4.029   3.671   1.124
+ 1149TIP3   OH240778   3.540   3.594   1.192
+ 1149TIP3    H140779   3.531   3.525   1.125
+ 1149TIP3    H240780   3.516   3.546   1.274
+ 1149TIP3   OH240781   3.945   3.194   1.092
+ 1149TIP3    H140782   4.005   3.118   1.096
+ 1149TIP3    H240783   3.941   3.210   0.996
+ 1149TIP3   OH240784   4.035   3.373   1.288
+ 1149TIP3    H140785   4.008   3.319   1.211
+ 1149TIP3    H240786   3.973   3.448   1.282
+ 1149TIP3   OH240787   3.272   4.188   0.511
+ 1149TIP3    H140788   3.281   4.202   0.416
+ 1149TIP3    H240789   3.362   4.160   0.536
+ 1149TIP3   OH240790   3.271   3.716   1.136
+ 1149TIP3    H140791   3.364   3.689   1.133
+ 1149TIP3    H240792   3.226   3.630   1.139
+ 1149TIP3   OH240793   3.348   3.547   0.414
+ 1149TIP3    H140794   3.395   3.462   0.419
+ 1149TIP3    H240795   3.418   3.607   0.446
+ 1149TIP3   OH240796   3.203   3.815   0.519
+ 1149TIP3    H140797   3.261   3.811   0.442
+ 1149TIP3    H240798   3.236   3.894   0.563
+ 1149TIP3   OH240799   3.253   3.448  -0.078
+ 1149TIP3    H140800   3.158   3.454  -0.100
+ 1149TIP3    H240801   3.294   3.509  -0.142
+ 1149TIP3   OH240802   3.257   3.338   0.738
+ 1149TIP3    H140803   3.185   3.310   0.796
+ 1149TIP3    H240804   3.208   3.389   0.671
+ 1149TIP3   OH240805   4.268   3.393   0.367
+ 1149TIP3    H140806   4.182   3.348   0.378
+ 1149TIP3    H240807   4.293   3.363   0.280
+ 1150TIP3   OH240808   3.479   3.300   0.121
+ 1150TIP3    H140809   3.394   3.289   0.074
+ 1150TIP3    H240810   3.522   3.214   0.103
+ 1150TIP3   OH240811   3.365   3.249  -0.293
+ 1150TIP3    H140812   3.415   3.314  -0.347
+ 1150TIP3    H240813   3.322   3.306  -0.228
+ 1150TIP3   OH240814   3.935   3.281   0.107
+ 1150TIP3    H140815   4.027   3.313   0.100
+ 1150TIP3    H240816   3.927   3.273   0.203
+ 1150TIP3   OH240817   3.528   3.428  -0.448
+ 1150TIP3    H140818   3.591   3.385  -0.509
+ 1150TIP3    H240819   3.589   3.469  -0.384
+ 1150TIP3   OH240820   4.067   3.447  -0.194
+ 1150TIP3    H140821   4.062   3.388  -0.118
+ 1150TIP3    H240822   4.063   3.534  -0.151
+ 1150TIP3   OH240823   3.460   3.325   1.072
+ 1150TIP3    H140824   3.420   3.242   1.106
+ 1150TIP3    H240825   3.553   3.312   1.096
+ 1150TIP3   OH240826   3.700   3.264   1.246
+ 1150TIP3    H140827   3.782   3.229   1.206
+ 1150TIP3    H240828   3.664   3.183   1.286
+ 1150TIP3   OH240829  -3.160  -3.366   2.030
+ 1150TIP3    H140830  -3.161  -3.270   2.039
+ 1150TIP3    H240831  -3.237  -3.380   1.972
+ 1150TIP3   OH240832  -3.276  -3.422   2.337
+ 1150TIP3    H140833  -3.276  -3.480   2.415
+ 1150TIP3    H240834  -3.302  -3.483   2.267
+ 1150TIP3   OH240835  -4.029  -3.464   2.501
+ 1150TIP3    H140836  -4.032  -3.537   2.565
+ 1150TIP3    H240837  -3.959  -3.409   2.539
+ 1151TIP3   OH240838  -2.907  -3.149   2.169
+ 1151TIP3    H140839  -2.944  -3.220   2.222
+ 1151TIP3    H240840  -2.878  -3.087   2.237
+ 1151TIP3   OH240841  -3.959  -3.002   2.353
+ 1151TIP3    H140842  -3.987  -3.092   2.326
+ 1151TIP3    H240843  -3.865  -3.017   2.370
+ 1151TIP3   OH240844  -4.169  -3.561   1.837
+ 1151TIP3    H140845  -4.218  -3.496   1.890
+ 1151TIP3    H240846  -4.220  -3.640   1.860
+ 1151TIP3   OH240847  -4.211  -3.413   2.079
+ 1151TIP3    H140848  -4.187  -3.489   2.134
+ 1151TIP3    H240849  -4.126  -3.386   2.042
+ 1151TIP3   OH240850  -3.200  -2.613   2.226
+ 1151TIP3    H140851  -3.142  -2.683   2.192
+ 1151TIP3    H240852  -3.228  -2.649   2.311
+ 1151TIP3   OH240853  -3.426  -3.171   2.394
+ 1151TIP3    H140854  -3.394  -3.243   2.336
+ 1151TIP3    H240855  -3.344  -3.156   2.445
+ 1151TIP3   OH240856  -2.571  -4.016   2.450
+ 1151TIP3    H140857  -2.537  -3.973   2.529
+ 1151TIP3    H240858  -2.506  -3.988   2.384
+ 1151TIP3   OH240859  -3.099  -3.740   2.445
+ 1151TIP3    H140860  -3.078  -3.835   2.447
+ 1151TIP3    H240861  -3.106  -3.724   2.350
+ 1151TIP3   OH240862  -3.802  -3.941   2.155
+ 1151TIP3    H140863  -3.784  -3.856   2.110
+ 1151TIP3    H240864  -3.832  -3.995   2.080
+ 1151TIP3   OH240865  -3.011  -3.920   1.989
+ 1151TIP3    H140866  -2.950  -3.965   2.051
+ 1151TIP3    H240867  -2.948  -3.878   1.929
+ 1152TIP3   OH240868  -4.139  -3.660   2.204
+ 1152TIP3    H140869  -4.081  -3.704   2.269
+ 1152TIP3    H240870  -4.122  -3.714   2.125
+ 1152TIP3   OH240871  -3.593  -3.526   2.149
+ 1152TIP3    H140872  -3.522  -3.580   2.187
+ 1152TIP3    H240873  -3.643  -3.593   2.099
+ 1152TIP3   OH240874  -2.477  -3.848   2.715
+ 1152TIP3    H140875  -2.553  -3.797   2.682
+ 1152TIP3    H240876  -2.513  -3.889   2.793
+ 1152TIP3   OH240877  -3.917  -4.051   2.575
+ 1152TIP3    H140878  -3.957  -4.009   2.497
+ 1152TIP3    H240879  -3.987  -4.036   2.641
+ 1152TIP3   OH240880  -3.171  -3.082   1.909
+ 1152TIP3    H140881  -3.200  -3.104   1.820
+ 1152TIP3    H240882  -3.216  -2.998   1.926
+ 1152TIP3   OH240883  -3.625  -3.270   2.581
+ 1152TIP3    H140884  -3.698  -3.209   2.606
+ 1152TIP3    H240885  -3.563  -3.210   2.535
+ 1152TIP3   OH240886  -2.824  -4.013   2.190
+ 1152TIP3    H140887  -2.871  -4.060   2.260
+ 1152TIP3    H240888  -2.771  -3.950   2.242
+ 1152TIP3   OH240889  -3.959  -3.850   2.362
+ 1152TIP3    H140890  -3.893  -3.792   2.406
+ 1152TIP3    H240891  -3.903  -3.888   2.290
+ 1152TIP3   OH240892  -3.827  -3.083   2.655
+ 1152TIP3    H140893  -3.830  -2.992   2.620
+ 1152TIP3    H240894  -3.916  -3.089   2.694
+ 1152TIP3   OH240895  -4.183  -3.119   1.744
+ 1152TIP3    H140896  -4.263  -3.101   1.692
+ 1152TIP3    H240897  -4.193  -3.059   1.819
+ 1153TIP3   OH240898  -2.851  -2.967   2.420
+ 1153TIP3    H140899  -2.948  -2.955   2.420
+ 1153TIP3    H240900  -2.823  -2.882   2.381
+ 1153TIP3   OH240901  -2.808  -4.110   2.591
+ 1153TIP3    H140902  -2.888  -4.078   2.547
+ 1153TIP3    H240903  -2.741  -4.097   2.521
+ 1153TIP3   OH240904  -3.496   4.382   2.298
+ 1153TIP3    H140905  -3.501   4.286   2.303
+ 1153TIP3    H240906  -3.586   4.412   2.323
+ 1153TIP3   OH240907  -3.020  -2.774   2.078
+ 1153TIP3    H140908  -2.972  -2.853   2.045
+ 1153TIP3    H240909  -2.953  -2.704   2.063
+ 1153TIP3   OH240910  -2.877  -2.987   1.939
+ 1153TIP3    H140911  -2.925  -3.033   1.868
+ 1153TIP3    H240912  -2.882  -3.052   2.011
+ 1153TIP3   OH240913  -2.723  -3.104   2.785
+ 1153TIP3    H140914  -2.732  -3.170   2.714
+ 1153TIP3    H240915  -2.708  -3.022   2.736
+ 1153TIP3   OH240916  -3.296  -3.414   1.756
+ 1153TIP3    H140917  -3.362  -3.354   1.717
+ 1153TIP3    H240918  -3.224  -3.410   1.691
+ 1153TIP3   OH240919  -3.267  -3.596   1.462
+ 1153TIP3    H140920  -3.197  -3.565   1.522
+ 1153TIP3    H240921  -3.215  -3.653   1.403
+ 1153TIP3   OH240922  -2.546  -3.488   2.580
+ 1153TIP3    H140923  -2.618  -3.422   2.588
+ 1153TIP3    H240924  -2.498  -3.454   2.502
+ 1153TIP3   OH240925  -2.944  -3.414   1.864
+ 1153TIP3    H140926  -3.012  -3.393   1.931
+ 1153TIP3    H240927  -2.884  -3.471   1.916
+ 1154TIP3   OH240928  -2.960  -3.562   2.747
+ 1154TIP3    H140929  -2.954  -3.480   2.799
+ 1154TIP3    H240930  -3.025  -3.532   2.680
+ 1154TIP3   OH240931  -3.783  -3.336   2.040
+ 1154TIP3    H140932  -3.815  -3.380   1.959
+ 1154TIP3    H240933  -3.718  -3.401   2.073
+ 1154TIP3   OH240934  -3.648  -2.998   2.316
+ 1154TIP3    H140935  -3.659  -3.034   2.227
+ 1154TIP3    H240936  -3.568  -3.044   2.346
+ 1154TIP3   OH240937  -3.727  -3.455   2.390
+ 1154TIP3    H140938  -3.670  -3.454   2.310
+ 1154TIP3    H240939  -3.685  -3.389   2.448
+ 1154TIP3   OH240940  -3.134  -2.904   2.448
+ 1154TIP3    H140941  -3.128  -2.838   2.520
+ 1154TIP3    H240942  -3.154  -2.987   2.494
+ 1154TIP3   OH240943  -3.642  -3.023   2.874
+ 1154TIP3    H140944  -3.696  -2.957   2.920
+ 1154TIP3    H240945  -3.704  -3.052   2.804
+ 1154TIP3   OH240946  -3.049  -3.470   1.610
+ 1154TIP3    H140947  -3.001  -3.443   1.691
+ 1154TIP3    H240948  -2.999  -3.420   1.541
+ 1154TIP3   OH240949  -3.956  -3.390   2.789
+ 1154TIP3    H140950  -3.948  -3.330   2.866
+ 1154TIP3    H240951  -4.052  -3.394   2.778
+ 1154TIP3   OH240952  -3.303  -2.810   1.966
+ 1154TIP3    H140953  -3.256  -2.780   2.044
+ 1154TIP3    H240954  -3.352  -2.731   1.938
+ 1154TIP3   OH240955  -3.835  -2.807   2.960
+ 1154TIP3    H140956  -3.841  -2.801   2.862
+ 1154TIP3    H240957  -3.927  -2.827   2.985
+ 1155TIP3   OH240958  -2.730  -4.303   1.534
+ 1155TIP3    H140959  -2.765  -4.324   1.621
+ 1155TIP3    H240960  -2.647  -4.261   1.558
+ 1155TIP3   OH240961  -3.891  -3.465   1.792
+ 1155TIP3    H140962  -3.917  -3.389   1.738
+ 1155TIP3    H240963  -3.971  -3.521   1.785
+ 1155TIP3   OH240964  -2.568  -2.883   1.415
+ 1155TIP3    H140965  -2.552  -2.788   1.436
+ 1155TIP3    H240966  -2.481  -2.922   1.433
+ 1155TIP3   OH240967  -4.267  -3.181   2.647
+ 1155TIP3    H140968  -4.286  -3.214   2.558
+ 1155TIP3    H240969  -4.306  -3.250   2.702
+ 1155TIP3   OH240970  -4.281  -2.900   2.343
+ 1155TIP3    H140971  -4.197  -2.944   2.362
+ 1155TIP3    H240972  -4.299  -2.853   2.425
+ 1155TIP3   OH240973  -2.444  -2.842   2.938
+ 1155TIP3    H140974  -2.454  -2.937   2.920
+ 1155TIP3    H240975  -2.535  -2.819   2.968
+ 1155TIP3   OH240976  -3.378  -2.919   2.818
+ 1155TIP3    H140977  -3.372  -2.838   2.872
+ 1155TIP3    H240978  -3.469  -2.949   2.838
+ 1155TIP3   OH240979  -3.352  -2.537   1.814
+ 1155TIP3    H140980  -3.348  -2.530   1.717
+ 1155TIP3    H240981  -3.342  -2.446   1.844
+ 1155TIP3   OH240982  -3.978  -2.624   1.978
+ 1155TIP3    H140983  -3.954  -2.666   2.063
+ 1155TIP3    H240984  -4.055  -2.678   1.955
+ 1155TIP3   OH240985  -3.019  -2.595   1.533
+ 1155TIP3    H140986  -2.961  -2.660   1.488
+ 1155TIP3    H240987  -3.023  -2.635   1.623
+ 1156TIP3   OH240988  -3.080  -2.653   1.814
+ 1156TIP3    H140989  -3.176  -2.641   1.827
+ 1156TIP3    H240990  -3.063  -2.726   1.876
+ 1156TIP3   OH240991  -2.764  -3.708   2.977
+ 1156TIP3    H140992  -2.813  -3.669   2.904
+ 1156TIP3    H240993  -2.756  -3.801   2.948
+ 1156TIP3   OH240994  -4.072  -3.040   2.796
+ 1156TIP3    H140995  -4.042  -3.099   2.867
+ 1156TIP3    H240996  -4.147  -3.090   2.756
+ 1156TIP3   OH240997  -3.753  -4.221   2.383
+ 1156TIP3    H140998  -3.839  -4.230   2.341
+ 1156TIP3    H240999  -3.764  -4.135   2.427
+ 1156TIP3   OH241000  -3.290  -4.261   2.741
+ 1156TIP3    H141001  -3.271  -4.310   2.822
+ 1156TIP3    H241002  -3.385  -4.278   2.730
+ 1156TIP3   OH241003  -2.994  -3.864   2.782
+ 1156TIP3    H141004  -3.052  -3.875   2.860
+ 1156TIP3    H241005  -2.999  -3.768   2.764
+ 1156TIP3   OH241006  -2.893  -3.363   1.410
+ 1156TIP3    H141007  -2.914  -3.380   1.316
+ 1156TIP3    H241008  -2.799  -3.338   1.403
+ 1156TIP3   OH241009  -3.330  -3.993   1.455
+ 1156TIP3    H141010  -3.383  -4.004   1.536
+ 1156TIP3    H241011  -3.378  -4.054   1.396
+ 1156TIP3   OH241012  -3.760  -3.714   2.509
+ 1156TIP3    H141013  -3.822  -3.704   2.584
+ 1156TIP3    H241014  -3.755  -3.624   2.473
+ 1156TIP3   OH241015  -3.769  -3.709   1.998
+ 1156TIP3    H141016  -3.865  -3.715   1.980
+ 1156TIP3    H241017  -3.733  -3.726   1.909
+ 1157TIP3   OH241018  -3.205  -3.651   1.875
+ 1157TIP3    H141019  -3.247  -3.569   1.841
+ 1157TIP3    H241020  -3.138  -3.668   1.806
+ 1157TIP3   OH241021  -3.288  -3.630   3.011
+ 1157TIP3    H141022  -3.338  -3.707   3.046
+ 1157TIP3    H241023  -3.200  -3.644   3.051
+ 1157TIP3   OH241024  -3.121  -3.711   2.153
+ 1157TIP3    H141025  -3.150  -3.654   2.079
+ 1157TIP3    H241026  -3.099  -3.792   2.102
+ 1157TIP3   OH241027  -4.025  -3.697   2.692
+ 1157TIP3    H141028  -3.996  -3.664   2.778
+ 1157TIP3    H241029  -4.052  -3.789   2.715
+ 1157TIP3   OH241030  -3.689  -3.940   1.351
+ 1157TIP3    H141031  -3.724  -3.979   1.434
+ 1157TIP3    H241032  -3.769  -3.927   1.298
+ 1157TIP3   OH241033  -4.325  -3.942   2.057
+ 1157TIP3    H141034  -4.305  -3.969   2.149
+ 1157TIP3    H241035  -4.288  -4.014   2.005
+ 1157TIP3   OH241036  -4.214  -3.882   1.645
+ 1157TIP3    H141037  -4.152  -3.861   1.572
+ 1157TIP3    H241038  -4.298  -3.863   1.602
+ 1157TIP3   OH241039  -3.211  -3.543   2.599
+ 1157TIP3    H141040  -3.168  -3.616   2.548
+ 1157TIP3    H241041  -3.244  -3.591   2.676
+ 1157TIP3   OH241042  -3.490  -3.940   2.098
+ 1157TIP3    H141043  -3.583  -3.960   2.117
+ 1157TIP3    H241044  -3.446  -3.972   2.178
+ 1157TIP3   OH241045  -4.038  -3.824   1.965
+ 1157TIP3    H141046  -4.122  -3.819   1.917
+ 1157TIP3    H241047  -4.000  -3.907   1.929
+ 1158TIP3   OH241048  -3.672  -3.791   1.737
+ 1158TIP3    H141049  -3.575  -3.785   1.741
+ 1158TIP3    H241050  -3.696  -3.731   1.665
+ 1158TIP3   OH241051  -3.056  -4.033   2.402
+ 1158TIP3    H141052  -3.120  -4.035   2.476
+ 1158TIP3    H241053  -3.113  -4.063   2.329
+ 1158TIP3   OH241054  -3.825  -3.669   1.511
+ 1158TIP3    H141055  -3.882  -3.699   1.439
+ 1158TIP3    H241056  -3.743  -3.648   1.463
+ 1158TIP3   OH241057  -2.751  -2.454   3.069
+ 1158TIP3    H141058  -2.727  -2.412   2.984
+ 1158TIP3    H241059  -2.677  -2.428   3.126
+ 1158TIP3   OH241060  -3.950  -3.196   3.013
+ 1158TIP3    H141061  -3.890  -3.188   3.089
+ 1158TIP3    H241062  -4.036  -3.187   3.058
+ 1158TIP3   OH241063  -3.388  -3.693   2.283
+ 1158TIP3    H141064  -3.317  -3.737   2.234
+ 1158TIP3    H241065  -3.405  -3.757   2.356
+ 1158TIP3   OH241066  -3.880  -4.061   1.905
+ 1158TIP3    H141067  -3.921  -4.148   1.918
+ 1158TIP3    H241068  -3.794  -4.084   1.867
+ 1158TIP3   OH241069  -3.493  -3.849   2.508
+ 1158TIP3    H141070  -3.568  -3.788   2.507
+ 1158TIP3    H241071  -3.443  -3.823   2.588
+ 1158TIP3   OH241072  -3.480  -3.207   1.696
+ 1158TIP3    H141073  -3.555  -3.260   1.661
+ 1158TIP3    H241074  -3.497  -3.205   1.792
+ 1158TIP3   OH241075  -2.756  -3.293   2.570
+ 1158TIP3    H141076  -2.705  -3.239   2.505
+ 1158TIP3    H241077  -2.841  -3.305   2.524
+ 1159TIP3   OH241078  -3.062  -3.932   1.460
+ 1159TIP3    H141079  -3.160  -3.938   1.461
+ 1159TIP3    H241080  -3.043  -3.862   1.525
+ 1159TIP3   OH241081  -3.313  -3.208   2.829
+ 1159TIP3    H141082  -3.343  -3.241   2.914
+ 1159TIP3    H241083  -3.344  -3.116   2.829
+ 1159TIP3   OH241084  -2.996  -3.749   1.674
+ 1159TIP3    H141085  -2.909  -3.763   1.716
+ 1159TIP3    H241086  -2.985  -3.660   1.635
+ 1159TIP3   OH241087  -3.973  -3.275   2.270
+ 1159TIP3    H141088  -3.909  -3.285   2.197
+ 1159TIP3    H241089  -3.961  -3.359   2.318
+ 1159TIP3   OH241090  -3.238  -3.073   1.589
+ 1159TIP3    H141091  -3.264  -2.987   1.628
+ 1159TIP3    H241092  -3.313  -3.129   1.616
+ 1159TIP3   OH241093  -4.239  -3.425   2.833
+ 1159TIP3    H141094  -4.231  -3.491   2.904
+ 1159TIP3    H241095  -4.287  -3.476   2.764
+ 1159TIP3   OH241096  -3.540  -3.491   3.004
+ 1159TIP3    H141097  -3.576  -3.517   2.917
+ 1159TIP3    H241098  -3.448  -3.521   2.994
+ 1159TIP3   OH241099  -3.087  -2.948   2.776
+ 1159TIP3    H141100  -3.183  -2.941   2.770
+ 1159TIP3    H241101  -3.071  -2.924   2.869
+ 1159TIP3   OH241102  -2.533  -3.746   1.652
+ 1159TIP3    H141103  -2.591  -3.766   1.576
+ 1159TIP3    H241104  -2.524  -3.650   1.639
+ 1159TIP3   OH241105  -2.489  -3.140   2.933
+ 1159TIP3    H141106  -2.583  -3.119   2.914
+ 1159TIP3    H241107  -2.456  -3.158   2.843
+ 1160TIP3   OH241108  -2.715  -2.884   1.663
+ 1160TIP3    H141109  -2.734  -2.963   1.715
+ 1160TIP3    H241110  -2.661  -2.918   1.590
+ 1160TIP3   OH241111  -2.990  -3.350   2.401
+ 1160TIP3    H141112  -3.083  -3.366   2.376
+ 1160TIP3    H241113  -2.946  -3.422   2.352
+ 1160TIP3   OH241114  -3.727  -2.941   2.007
+ 1160TIP3    H141115  -3.685  -2.855   1.992
+ 1160TIP3    H241116  -3.819  -2.924   1.980
+ 1160TIP3   OH241117  -4.155  -3.447   1.475
+ 1160TIP3    H141118  -4.081  -3.395   1.514
+ 1160TIP3    H241119  -4.228  -3.387   1.492
+ 1160TIP3   OH241120  -3.543  -3.173   1.968
+ 1160TIP3    H141121  -3.573  -3.082   1.982
+ 1160TIP3    H241122  -3.614  -3.223   2.009
+ 1160TIP3   OH241123  -3.526  -2.746   2.603
+ 1160TIP3    H141124  -3.470  -2.673   2.572
+ 1160TIP3    H241125  -3.463  -2.798   2.655
+ 1160TIP3   OH241126  -3.681  -2.652   1.927
+ 1160TIP3    H141127  -3.777  -2.638   1.933
+ 1160TIP3    H241128  -3.646  -2.564   1.949
+ 1160TIP3   OH241129  -3.185  -3.171   2.559
+ 1160TIP3    H141130  -3.214  -3.201   2.647
+ 1160TIP3    H241131  -3.112  -3.233   2.540
+ 1160TIP3   OH241132  -2.969  -3.042   1.451
+ 1160TIP3    H141133  -2.926  -3.087   1.526
+ 1160TIP3    H241134  -3.062  -3.056   1.476
+ 1160TIP3   OH241135  -2.893  -2.713   2.800
+ 1160TIP3    H141136  -2.967  -2.760   2.756
+ 1160TIP3    H241137  -2.881  -2.635   2.742
+ 1161TIP3   OH241138  -2.495  -2.615   1.505
+ 1161TIP3    H141139  -2.426  -2.552   1.480
+ 1161TIP3    H241140  -2.572  -2.555   1.503
+ 1161TIP3   OH241141  -4.107  -3.960   2.770
+ 1161TIP3    H141142  -4.196  -3.927   2.754
+ 1161TIP3    H241143  -4.125  -4.048   2.811
+ 1161TIP3   OH241144  -2.872  -3.179   1.691
+ 1161TIP3    H141145  -2.899  -3.253   1.749
+ 1161TIP3    H241146  -2.775  -3.183   1.697
+ 1161TIP3   OH241147  -4.128  -2.799   2.611
+ 1161TIP3    H141148  -4.109  -2.894   2.620
+ 1161TIP3    H241149  -4.095  -2.766   2.695
+ 1161TIP3   OH241150  -3.545  -2.936   1.308
+ 1161TIP3    H141151  -3.515  -3.014   1.258
+ 1161TIP3    H241152  -3.587  -2.978   1.385
+ 1161TIP3   OH241153  -3.664  -2.986   1.581
+ 1161TIP3    H141154  -3.610  -3.039   1.642
+ 1161TIP3    H241155  -3.647  -2.894   1.613
+ 1161TIP3   OH241156  -3.987  -3.244   1.612
+ 1161TIP3    H141157  -4.057  -3.203   1.670
+ 1161TIP3    H241158  -3.937  -3.164   1.590
+ 1161TIP3   OH241159  -3.217  -4.006   2.632
+ 1161TIP3    H141160  -3.151  -3.981   2.698
+ 1161TIP3    H241161  -3.251  -4.091   2.665
+ 1161TIP3   OH241162  -3.139  -4.056   1.745
+ 1161TIP3    H141163  -3.128  -3.998   1.668
+ 1161TIP3    H241164  -3.099  -4.002   1.816
+ 1161TIP3   OH241165  -3.365  -2.821   1.643
+ 1161TIP3    H141166  -3.447  -2.773   1.659
+ 1161TIP3    H241167  -3.329  -2.776   1.565
+ 1162TIP3   OH241168  -3.403  -3.851   1.844
+ 1162TIP3    H141169  -3.329  -3.789   1.858
+ 1162TIP3    H241170  -3.432  -3.867   1.937
+ 1162TIP3   OH241171  -3.370  -3.761   2.757
+ 1162TIP3    H141172  -3.360  -3.710   2.839
+ 1162TIP3    H241173  -3.313  -3.837   2.773
+ 1162TIP3   OH241174  -3.331  -4.174   1.943
+ 1162TIP3    H141175  -3.364  -4.099   1.996
+ 1162TIP3    H241176  -3.275  -4.128   1.878
+ 1162TIP3   OH241177  -3.645  -2.715   1.642
+ 1162TIP3    H141178  -3.652  -2.634   1.588
+ 1162TIP3    H241179  -3.657  -2.680   1.732
+ 1162TIP3   OH241180  -3.776  -4.050   1.597
+ 1162TIP3    H141181  -3.771  -3.967   1.647
+ 1162TIP3    H241182  -3.688  -4.087   1.618
+ 1162TIP3   OH241183  -2.731  -3.963   2.839
+ 1162TIP3    H141184  -2.828  -3.952   2.829
+ 1162TIP3    H241185  -2.710  -3.989   2.748
+ 1162TIP3   OH241186  -2.890  -3.573   2.250
+ 1162TIP3    H141187  -2.971  -3.619   2.221
+ 1162TIP3    H241188  -2.841  -3.645   2.295
+ 1162TIP3   OH241189  -3.931  -2.957   1.495
+ 1162TIP3    H141190  -3.854  -2.915   1.537
+ 1162TIP3    H241191  -3.886  -3.014   1.431
+ 1162TIP3   OH241192  -4.118  -3.749   1.415
+ 1162TIP3    H141193  -4.106  -3.654   1.430
+ 1162TIP3    H241194  -4.191  -3.753   1.353
+ 1162TIP3   OH241195  -2.789  -2.688   2.389
+ 1162TIP3    H141196  -2.805  -2.607   2.336
+ 1162TIP3    H241197  -2.695  -2.675   2.412
+ 1163TIP3   OH241198  -4.075  -4.237   2.307
+ 1163TIP3    H141199  -4.060  -4.257   2.214
+ 1163TIP3    H241200  -4.112  -4.321   2.338
+ 1163TIP3   OH241201  -4.134  -2.876   1.914
+ 1163TIP3    H141202  -4.227  -2.848   1.918
+ 1163TIP3    H241203  -4.106  -2.841   1.829
+ 1163TIP3   OH241204  -4.214  -2.604   3.032
+ 1163TIP3    H141205  -4.152  -2.605   3.107
+ 1163TIP3    H241206  -4.218  -2.700   3.017
+ 1163TIP3   OH241207  -3.689  -2.689   3.225
+ 1163TIP3    H141208  -3.647  -2.777   3.224
+ 1163TIP3    H241209  -3.740  -2.694   3.143
+ 1163TIP3   OH241210  -3.323  -2.767   1.360
+ 1163TIP3    H141211  -3.397  -2.829   1.348
+ 1163TIP3    H241212  -3.250  -2.819   1.321
+ 1163TIP3   OH241213  -3.090  -2.853   3.075
+ 1163TIP3    H141214  -3.126  -2.938   3.106
+ 1163TIP3    H241215  -3.013  -2.842   3.133
+ 1163TIP3   OH241216  -2.861  -2.775   1.370
+ 1163TIP3    H141217  -2.843  -2.856   1.419
+ 1163TIP3    H241218  -2.783  -2.769   1.311
+ 1163TIP3   OH241219  -4.198  -3.201   3.093
+ 1163TIP3    H141220  -4.191  -3.290   3.058
+ 1163TIP3    H241221  -4.286  -3.174   3.063
+ 1163TIP3   OH241222  -3.781  -3.194   1.342
+ 1163TIP3    H141223  -3.761  -3.252   1.418
+ 1163TIP3    H241224  -3.695  -3.196   1.295
+ 1163TIP3   OH241225  -3.542  -3.215   3.076
+ 1163TIP3    H141226  -3.569  -3.183   2.988
+ 1163TIP3    H241227  -3.530  -3.311   3.060
+ 1164TIP3   OH241228  -3.259  -3.061   1.304
+ 1164TIP3    H141229  -3.260  -3.065   1.401
+ 1164TIP3    H241230  -3.261  -3.157   1.282
+ 1164TIP3   OH241231  -3.001  -3.254   2.814
+ 1164TIP3    H141232  -2.922  -3.201   2.793
+ 1164TIP3    H241233  -3.071  -3.186   2.810
+ 1164TIP3   OH241234  -4.135  -3.530   3.073
+ 1164TIP3    H141235  -4.054  -3.584   3.062
+ 1164TIP3    H241236  -4.124  -3.500   3.165
+ 1164TIP3   OH241237  -3.674  -3.384   1.575
+ 1164TIP3    H141238  -3.734  -3.436   1.632
+ 1164TIP3    H241239  -3.642  -3.452   1.513
+ 1164TIP3   OH241240  -3.750  -3.608   2.802
+ 1164TIP3    H141241  -3.805  -3.529   2.818
+ 1164TIP3    H241242  -3.685  -3.574   2.739
+ 1164TIP3   OH241243  -3.576  -3.583   1.401
+ 1164TIP3    H141244  -3.579  -3.574   1.304
+ 1164TIP3    H241245  -3.480  -3.588   1.418
+ 1164TIP3   OH241246  -3.218  -3.336   3.159
+ 1164TIP3    H141247  -3.129  -3.355   3.125
+ 1164TIP3    H241248  -3.244  -3.422   3.194
+ 1164TIP3   OH241249  -2.625  -3.333   1.331
+ 1164TIP3    H141250  -2.638  -3.372   1.243
+ 1164TIP3    H241251  -2.634  -3.238   1.309
+ 1164TIP3   OH241252  -3.693  -3.881   2.912
+ 1164TIP3    H141253  -3.683  -3.945   2.840
+ 1164TIP3    H241254  -3.711  -3.798   2.863
+ 1164TIP3   OH241255  -3.651  -4.037   2.654
+ 1164TIP3    H141256  -3.600  -3.981   2.592
+ 1164TIP3    H241257  -3.743  -4.027   2.621
+ 1165TIP3   OH241258  -3.501  -3.487   2.701
+ 1165TIP3    H141259  -3.418  -3.496   2.652
+ 1165TIP3    H241260  -3.533  -3.400   2.669
+ 1165TIP3   OH241261  -3.045  -3.693   3.178
+ 1165TIP3    H141262  -3.024  -3.786   3.194
+ 1165TIP3    H241263  -2.955  -3.655   3.173
+ 1165TIP3   OH241264  -2.948  -3.415   3.027
+ 1165TIP3    H141265  -2.981  -3.353   2.958
+ 1165TIP3    H241266  -2.858  -3.431   2.992
+ 1165TIP3   OH241267  -3.879  -3.691   3.091
+ 1165TIP3    H141268  -3.928  -3.775   3.093
+ 1165TIP3    H241269  -3.797  -3.718   3.048
+ 1165TIP3   OH241270  -3.606  -4.277   2.776
+ 1165TIP3    H141271  -3.592  -4.187   2.740
+ 1165TIP3    H241272  -3.700  -4.288   2.754
+ 1165TIP3   OH241273  -3.457  -3.842   3.072
+ 1165TIP3    H141274  -3.488  -3.872   3.159
+ 1165TIP3    H241275  -3.538  -3.863   3.019
+ 1165TIP3   OH241276  -3.197  -3.943   2.971
+ 1165TIP3    H141277  -3.287  -3.932   3.007
+ 1165TIP3    H241278  -3.160  -4.010   3.032
+ 1165TIP3   OH241279  -3.026  -4.136   3.138
+ 1165TIP3    H141280  -3.039  -4.224   3.176
+ 1165TIP3    H241281  -3.039  -4.077   3.214
+ 1165TIP3   OH241282  -4.003  -3.953   3.079
+ 1165TIP3    H141283  -4.024  -4.020   3.012
+ 1165TIP3    H241284  -4.039  -3.993   3.160
+ 1165TIP3   OH241285  -3.494  -4.145   3.181
+ 1165TIP3    H141286  -3.515  -4.229   3.135
+ 1165TIP3    H241287  -3.581  -4.102   3.186
+ 1166TIP3   OH241288  -3.600  -2.458   1.512
+ 1166TIP3    H141289  -3.504  -2.450   1.523
+ 1166TIP3    H241290  -3.611  -2.416   1.425
+ 1166TIP3   OH241291  -4.199  -2.970   1.419
+ 1166TIP3    H141292  -4.121  -2.976   1.478
+ 1166TIP3    H241293  -4.217  -3.063   1.398
+ 1166TIP3   OH241294  -4.275  -2.690   2.133
+ 1166TIP3    H141295  -4.276  -2.780   2.170
+ 1166TIP3    H241296  -4.242  -2.641   2.210
+ 1166TIP3   OH241297  -2.516  -2.570   2.438
+ 1166TIP3    H141298  -2.498  -2.576   2.533
+ 1166TIP3    H241299  -2.430  -2.543   2.403
+ 1166TIP3   OH241300  -2.527  -2.627   2.726
+ 1166TIP3    H141301  -2.577  -2.703   2.689
+ 1166TIP3    H241302  -2.470  -2.674   2.789
+ 1166TIP3   OH241303  -2.727  -3.082   3.153
+ 1166TIP3    H141304  -2.814  -3.075   3.197
+ 1166TIP3    H241305  -2.681  -3.003   3.186
+ 1166TIP3   OH241306  -2.587  -3.194   1.728
+ 1166TIP3    H141307  -2.496  -3.162   1.743
+ 1166TIP3    H241308  -2.594  -3.259   1.801
+ 1166TIP3   OH241309  -2.541  -3.397   1.925
+ 1166TIP3    H141310  -2.607  -3.455   1.968
+ 1166TIP3    H241311  -2.472  -3.387   1.994
+ 1166TIP3   OH241312  -2.568  -3.149   2.423
+ 1166TIP3    H141313  -2.506  -3.198   2.367
+ 1166TIP3    H241314  -2.553  -3.057   2.393
+ 1166TIP3   OH241315  -2.696  -2.856   2.647
+ 1166TIP3    H141316  -2.769  -2.818   2.697
+ 1166TIP3    H241317  -2.741  -2.893   2.569
+ 1167TIP3   OH241318  -2.515  -3.454   1.584
+ 1167TIP3    H141319  -2.566  -3.427   1.505
+ 1167TIP3    H241320  -2.528  -3.378   1.642
+ 1167TIP3   OH241321  -2.688  -3.698   1.410
+ 1167TIP3    H141322  -2.660  -3.640   1.337
+ 1167TIP3    H241323  -2.714  -3.779   1.363
+ 1167TIP3   OH241324  -2.746  -3.584   2.007
+ 1167TIP3    H141325  -2.753  -3.679   1.988
+ 1167TIP3    H241326  -2.785  -3.577   2.097
+ 1167TIP3   OH241327  -4.256  -3.334   2.404
+ 1167TIP3    H141328  -4.225  -3.315   2.313
+ 1167TIP3    H241329  -4.176  -3.376   2.442
+ 1167TIP3   OH241330  -2.686  -3.392   2.922
+ 1167TIP3    H141331  -2.613  -3.455   2.938
+ 1167TIP3    H241332  -2.640  -3.310   2.902
+ 1167TIP3   OH241333  -2.531  -3.584   3.044
+ 1167TIP3    H141334  -2.610  -3.637   3.020
+ 1167TIP3    H241335  -2.461  -3.651   3.041
+ 1167TIP3   OH241336  -2.750  -3.963   1.334
+ 1167TIP3    H141337  -2.685  -4.015   1.384
+ 1167TIP3    H241338  -2.827  -4.021   1.336
+ 1167TIP3   OH241339  -2.763  -3.827   1.827
+ 1167TIP3    H141340  -2.746  -3.924   1.832
+ 1167TIP3    H241341  -2.681  -3.798   1.784
+ 1167TIP3   OH241342  -2.738  -3.773   2.365
+ 1167TIP3    H141343  -2.640  -3.768   2.363
+ 1167TIP3    H241344  -2.751  -3.776   2.461
+ 1167TIP3   OH241345  -2.723  -3.706   2.652
+ 1167TIP3    H141346  -2.807  -3.664   2.676
+ 1167TIP3    H241347  -2.667  -3.629   2.628
+ 1168TIP3   OH241348  -4.282  -3.839   3.029
+ 1168TIP3    H141349  -4.200  -3.881   3.003
+ 1168TIP3    H241350  -4.346  -3.912   3.030
+ 1168TIP3   OH241351  -2.506  -4.277   3.228
+ 1168TIP3    H141352  -2.458  -4.357   3.205
+ 1168TIP3    H241353  -2.504  -4.218   3.149
+ 1168TIP3   OH241354  -2.734  -4.098   1.835
+ 1168TIP3    H141355  -2.707  -4.152   1.912
+ 1168TIP3    H241356  -2.793  -4.160   1.789
+ 1168TIP3   OH241357  -4.193  -3.989   2.318
+ 1168TIP3    H141358  -4.160  -4.081   2.328
+ 1168TIP3    H241359  -4.114  -3.938   2.342
+ 1168TIP3   OH241360  -4.332  -3.727   2.413
+ 1168TIP3    H141361  -4.293  -3.778   2.340
+ 1168TIP3    H241362  -4.314  -3.636   2.383
+ 1168TIP3   OH241363  -2.527  -4.111   3.012
+ 1168TIP3    H141364  -2.613  -4.064   3.020
+ 1168TIP3    H241365  -2.537  -4.147   2.922
+ 1168TIP3   OH241366  -2.514  -4.072   1.490
+ 1168TIP3    H141367  -2.491  -4.150   1.437
+ 1168TIP3    H241368  -2.434  -4.019   1.487
+ 1168TIP3   OH241369  -4.314  -4.108   1.768
+ 1168TIP3    H141370  -4.397  -4.078   1.729
+ 1168TIP3    H241371  -4.254  -4.037   1.735
+ 1168TIP3   OH241372  -2.828  -2.566   2.019
+ 1168TIP3    H141373  -2.783  -2.591   1.936
+ 1168TIP3    H241374  -2.754  -2.530   2.070
+ 1168TIP3   OH241375  -4.283  -4.167   2.602
+ 1168TIP3    H141376  -4.348  -4.214   2.659
+ 1168TIP3    H241377  -4.326  -4.166   2.516
+ 1169TIP3   OH241378  -4.117  -2.862   3.069
+ 1169TIP3    H141379  -4.166  -2.924   3.015
+ 1169TIP3    H241380  -4.134  -2.897   3.159
+ 1169TIP3   OH241381  -3.802  -2.795   2.662
+ 1169TIP3    H141382  -3.834  -2.713   2.621
+ 1169TIP3    H241383  -3.706  -2.787   2.642
+ 1169TIP3   OH241384  -3.354  -2.664   2.973
+ 1169TIP3    H141385  -3.326  -2.693   3.061
+ 1169TIP3    H241386  -3.272  -2.624   2.939
+ 1169TIP3   OH241387  -3.128  -2.526   2.884
+ 1169TIP3    H141388  -3.058  -2.587   2.856
+ 1169TIP3    H241389  -3.092  -2.493   2.969
+ 1169TIP3   OH241390  -2.665  -4.276   2.803
+ 1169TIP3    H141391  -2.715  -4.214   2.747
+ 1169TIP3    H241392  -2.644  -4.344   2.737
+ 1169TIP3   OH241393  -4.069  -2.491   2.683
+ 1169TIP3    H141394  -4.138  -2.443   2.634
+ 1169TIP3    H241395  -4.103  -2.485   2.773
+ 1169TIP3   OH241396  -3.818  -2.524   2.548
+ 1169TIP3    H141397  -3.905  -2.506   2.588
+ 1169TIP3    H241398  -3.815  -2.459   2.476
+ 1169TIP3   OH241399  -3.342  -2.526   2.502
+ 1169TIP3    H141400  -3.379  -2.483   2.422
+ 1169TIP3    H241401  -3.332  -2.450   2.562
+ 1169TIP3   OH241402  -3.108  -2.654   2.595
+ 1169TIP3    H141403  -3.192  -2.618   2.559
+ 1169TIP3    H241404  -3.050  -2.577   2.589
+ 1169TIP3   OH241405  -2.856  -2.481   2.612
+ 1169TIP3    H141406  -2.859  -2.386   2.589
+ 1169TIP3    H241407  -2.826  -2.518   2.527
+ 1170TIP3   OH241408  -4.124  -2.615   2.381
+ 1170TIP3    H141409  -4.134  -2.662   2.466
+ 1170TIP3    H241410  -4.050  -2.665   2.341
+ 1170TIP3   OH241411  -3.911  -2.743   2.233
+ 1170TIP3    H141412  -3.926  -2.836   2.258
+ 1170TIP3    H241413  -3.819  -2.729   2.264
+ 1170TIP3   OH241414  -3.630  -2.701   2.317
+ 1170TIP3    H141415  -3.612  -2.793   2.293
+ 1170TIP3    H241416  -3.624  -2.706   2.414
+ 1170TIP3   OH241417  -3.300  -4.112   2.246
+ 1170TIP3    H141418  -3.363  -4.182   2.274
+ 1170TIP3    H241419  -3.240  -4.161   2.188
+ 1170TIP3   OH241420  -2.772  -4.330   2.292
+ 1170TIP3    H141421  -2.711  -4.290   2.227
+ 1170TIP3    H241422  -2.859  -4.305   2.258
+ 1170TIP3   OH241423  -2.577  -4.225   2.075
+ 1170TIP3    H141424  -2.521  -4.248   2.000
+ 1170TIP3    H241425  -2.558  -4.130   2.086
+ 1170TIP3   OH241426  -4.074  -4.281   1.980
+ 1170TIP3    H141427  -4.160  -4.316   1.954
+ 1170TIP3    H241428  -4.027  -4.360   2.010
+ 1170TIP3   OH241429  -4.206  -4.301   1.585
+ 1170TIP3    H141430  -4.169  -4.234   1.525
+ 1170TIP3    H241431  -4.259  -4.244   1.645
+ 1170TIP3   OH241432  -3.614  -4.219   2.011
+ 1170TIP3    H141433  -3.522  -4.234   1.984
+ 1170TIP3    H241434  -3.634  -4.297   2.064
+ 1170TIP3   OH241435  -3.060  -4.265   2.141
+ 1170TIP3    H141436  -3.025  -4.261   2.051
+ 1170TIP3    H241437  -3.072  -4.359   2.156
+ 1171TIP3   OH241438  -2.953  -4.272   1.747
+ 1171TIP3    H141439  -3.026  -4.214   1.716
+ 1171TIP3    H241440  -2.988  -4.361   1.732
+ 1171TIP3   OH241441  -4.189  -2.691   1.689
+ 1171TIP3    H141442  -4.248  -2.712   1.615
+ 1171TIP3    H241443  -4.182  -2.595   1.683
+ 1171TIP3   OH241444  -4.010  -4.115   1.446
+ 1171TIP3    H141445  -3.944  -4.156   1.388
+ 1171TIP3    H241446  -3.950  -4.070   1.510
+ 1171TIP3   OH241447  -3.493  -4.060   1.676
+ 1171TIP3    H141448  -3.483  -4.143   1.727
+ 1171TIP3    H241449  -3.470  -3.991   1.741
+ 1171TIP3   OH241450  -3.296  -2.514   1.520
+ 1171TIP3    H141451  -3.198  -2.511   1.515
+ 1171TIP3    H241452  -3.314  -2.579   1.451
+ 1171TIP3   OH241453  -2.647  -2.610   1.778
+ 1171TIP3    H141454  -2.668  -2.695   1.735
+ 1171TIP3    H241455  -2.645  -2.549   1.702
+ 1171TIP3   OH241456  -4.116  -4.179   2.932
+ 1171TIP3    H141457  -4.169  -4.250   2.974
+ 1171TIP3    H241458  -4.034  -4.229   2.919
+ 1171TIP3   OH241459  -3.808  -4.278   3.184
+ 1171TIP3    H141460  -3.723  -4.305   3.143
+ 1171TIP3    H241461  -3.828  -4.356   3.237
+ 1171TIP3   OH241462  -4.012  -2.592   1.385
+ 1171TIP3    H141463  -4.039  -2.576   1.477
+ 1171TIP3    H241464  -3.941  -2.658   1.396
+ 1171TIP3   OH241465  -2.697  -2.735   3.018
+ 1171TIP3    H141466  -2.770  -2.754   2.956
+ 1171TIP3    H241467  -2.712  -2.641   3.036
+ 1172TIP3   OH241468  -1.275  -3.367   2.030
+ 1172TIP3    H141469  -1.274  -3.271   2.041
+ 1172TIP3    H241470  -1.352  -3.379   1.973
+ 1172TIP3   OH241471  -1.388  -3.423   2.337
+ 1172TIP3    H141472  -1.391  -3.480   2.415
+ 1172TIP3    H241473  -1.417  -3.484   2.268
+ 1172TIP3   OH241474  -2.141  -3.464   2.503
+ 1172TIP3    H141475  -2.144  -3.539   2.566
+ 1172TIP3    H241476  -2.071  -3.410   2.542
+ 1172TIP3   OH241477  -1.022  -3.150   2.169
+ 1172TIP3    H141478  -1.059  -3.219   2.225
+ 1172TIP3    H241479  -0.993  -3.086   2.235
+ 1172TIP3   OH241480  -2.077  -3.000   2.354
+ 1172TIP3    H141481  -2.100  -3.092   2.329
+ 1172TIP3    H241482  -1.984  -3.012   2.377
+ 1172TIP3   OH241483  -2.377  -3.661   1.893
+ 1172TIP3    H141484  -2.418  -3.573   1.901
+ 1172TIP3    H241485  -2.449  -3.711   1.852
+ 1172TIP3   OH241486  -2.296  -3.413   2.079
+ 1172TIP3    H141487  -2.282  -3.497   2.127
+ 1172TIP3    H241488  -2.213  -3.405   2.031
+ 1172TIP3   OH241489  -1.321  -2.618   2.221
+ 1172TIP3    H141490  -1.256  -2.685   2.194
+ 1172TIP3    H241491  -1.342  -2.646   2.311
+ 1172TIP3   OH241492  -1.541  -3.171   2.393
+ 1172TIP3    H141493  -1.508  -3.243   2.336
+ 1172TIP3    H241494  -1.460  -3.155   2.445
+ 1172TIP3   OH241495  -0.680  -4.006   2.464
+ 1172TIP3    H141496  -0.670  -3.922   2.512
+ 1172TIP3    H241497  -0.616  -3.990   2.391
+ 1173TIP3   OH241498  -1.211  -3.741   2.446
+ 1173TIP3    H141499  -1.195  -3.837   2.445
+ 1173TIP3    H241500  -1.221  -3.723   2.351
+ 1173TIP3   OH241501  -1.916  -3.941   2.155
+ 1173TIP3    H141502  -1.900  -3.856   2.109
+ 1173TIP3    H241503  -1.949  -3.995   2.080
+ 1173TIP3   OH241504  -1.125  -3.921   1.988
+ 1173TIP3    H141505  -1.064  -3.965   2.050
+ 1173TIP3    H241506  -1.063  -3.877   1.928
+ 1173TIP3   OH241507  -2.244  -3.661   2.202
+ 1173TIP3    H141508  -2.184  -3.711   2.260
+ 1173TIP3    H241509  -2.238  -3.712   2.119
+ 1173TIP3   OH241510  -1.706  -3.525   2.148
+ 1173TIP3    H141511  -1.636  -3.580   2.187
+ 1173TIP3    H241512  -1.757  -3.592   2.099
+ 1173TIP3   OH241513  -2.034  -4.056   2.570
+ 1173TIP3    H141514  -2.068  -4.001   2.497
+ 1173TIP3    H241515  -2.101  -4.037   2.638
+ 1173TIP3   OH241516  -1.288  -3.086   1.910
+ 1173TIP3    H141517  -1.311  -3.103   1.818
+ 1173TIP3    H241518  -1.329  -2.999   1.926
+ 1173TIP3   OH241519  -1.740  -3.270   2.580
+ 1173TIP3    H141520  -1.814  -3.210   2.606
+ 1173TIP3    H241521  -1.678  -3.208   2.537
+ 1173TIP3   OH241522  -0.934  -4.014   2.193
+ 1173TIP3    H141523  -0.987  -4.060   2.259
+ 1173TIP3    H241524  -0.890  -3.947   2.246
+ 1173TIP3   OH241525  -2.074  -3.856   2.364
+ 1173TIP3    H141526  -2.011  -3.795   2.408
+ 1173TIP3    H241527  -2.017  -3.890   2.291
+ 1174TIP3   OH241528  -1.942  -3.083   2.652
+ 1174TIP3    H141529  -1.945  -2.990   2.623
+ 1174TIP3    H241530  -2.028  -3.089   2.697
+ 1174TIP3   OH241531  -2.310  -3.112   1.742
+ 1174TIP3    H141532  -2.329  -3.063   1.660
+ 1174TIP3    H241533  -2.294  -3.041   1.807
+ 1174TIP3   OH241534  -0.965  -2.968   2.418
+ 1174TIP3    H141535  -1.062  -2.954   2.420
+ 1174TIP3    H241536  -0.935  -2.882   2.382
+ 1174TIP3   OH241537  -0.925  -4.107   2.591
+ 1174TIP3    H141538  -1.007  -4.080   2.545
+ 1174TIP3    H241539  -0.859  -4.099   2.519
+ 1174TIP3   OH241540  -1.611   4.381   2.296
+ 1174TIP3    H141541  -1.618   4.285   2.302
+ 1174TIP3    H241542  -1.699   4.413   2.324
+ 1174TIP3   OH241543  -1.132  -2.774   2.076
+ 1174TIP3    H141544  -1.083  -2.853   2.045
+ 1174TIP3    H241545  -1.064  -2.705   2.066
+ 1174TIP3   OH241546  -0.993  -2.987   1.939
+ 1174TIP3    H141547  -1.037  -3.034   1.867
+ 1174TIP3    H241548  -0.997  -3.053   2.011
+ 1174TIP3   OH241549  -0.835  -3.108   2.786
+ 1174TIP3    H141550  -0.846  -3.169   2.711
+ 1174TIP3    H241551  -0.826  -3.022   2.741
+ 1174TIP3   OH241552  -1.415  -3.411   1.754
+ 1174TIP3    H141553  -1.479  -3.352   1.710
+ 1174TIP3    H241554  -1.339  -3.407   1.693
+ 1174TIP3   OH241555  -1.382  -3.597   1.462
+ 1174TIP3    H141556  -1.313  -3.564   1.523
+ 1174TIP3    H241557  -1.327  -3.651   1.402
+ 1175TIP3   OH241558  -0.658  -3.487   2.580
+ 1175TIP3    H141559  -0.733  -3.424   2.586
+ 1175TIP3    H241560  -0.610  -3.450   2.503
+ 1175TIP3   OH241561  -1.059  -3.416   1.864
+ 1175TIP3    H141562  -1.127  -3.392   1.931
+ 1175TIP3    H241563  -0.998  -3.470   1.916
+ 1175TIP3   OH241564  -1.065  -3.568   2.744
+ 1175TIP3    H141565  -1.064  -3.488   2.799
+ 1175TIP3    H241566  -1.129  -3.538   2.677
+ 1175TIP3   OH241567  -1.899  -3.337   2.040
+ 1175TIP3    H141568  -1.930  -3.381   1.959
+ 1175TIP3    H241569  -1.834  -3.401   2.075
+ 1175TIP3   OH241570  -1.762  -2.996   2.315
+ 1175TIP3    H141571  -1.773  -3.037   2.227
+ 1175TIP3    H241572  -1.683  -3.043   2.349
+ 1175TIP3   OH241573  -1.839  -3.458   2.390
+ 1175TIP3    H141574  -1.782  -3.453   2.311
+ 1175TIP3    H241575  -1.801  -3.389   2.448
+ 1175TIP3   OH241576  -1.246  -2.905   2.448
+ 1175TIP3    H141577  -1.244  -2.837   2.517
+ 1175TIP3    H241578  -1.268  -2.987   2.496
+ 1175TIP3   OH241579  -1.756  -3.025   2.873
+ 1175TIP3    H141580  -1.806  -2.959   2.923
+ 1175TIP3    H241581  -1.821  -3.050   2.805
+ 1175TIP3   OH241582  -1.164  -3.470   1.610
+ 1175TIP3    H141583  -1.116  -3.442   1.691
+ 1175TIP3    H241584  -1.114  -3.420   1.541
+ 1175TIP3   OH241585  -2.063  -3.384   2.785
+ 1175TIP3    H141586  -2.058  -3.327   2.864
+ 1175TIP3    H241587  -2.159  -3.398   2.778
+ 1176TIP3   OH241588  -1.411  -2.804   1.960
+ 1176TIP3    H141589  -1.368  -2.785   2.045
+ 1176TIP3    H241590  -1.474  -2.732   1.951
+ 1176TIP3   OH241591  -1.946  -2.806   2.955
+ 1176TIP3    H141592  -1.958  -2.803   2.859
+ 1176TIP3    H241593  -2.034  -2.834   2.988
+ 1176TIP3   OH241594  -0.842  -4.324   1.533
+ 1176TIP3    H141595  -0.886  -4.322   1.619
+ 1176TIP3    H241596  -0.766  -4.267   1.552
+ 1176TIP3   OH241597  -2.006  -3.465   1.792
+ 1176TIP3    H141598  -2.028  -3.387   1.737
+ 1176TIP3    H241599  -2.075  -3.527   1.767
+ 1176TIP3   OH241600  -0.682  -2.882   1.417
+ 1176TIP3    H141601  -0.666  -2.787   1.434
+ 1176TIP3    H241602  -0.595  -2.921   1.435
+ 1176TIP3   OH241603  -2.401  -3.196   2.668
+ 1176TIP3    H141604  -2.444  -3.197   2.580
+ 1176TIP3    H241605  -2.388  -3.291   2.684
+ 1176TIP3   OH241606  -2.395  -2.903   2.360
+ 1176TIP3    H141607  -2.303  -2.933   2.364
+ 1176TIP3    H241608  -2.399  -2.843   2.436
+ 1176TIP3   OH241609  -0.556  -2.842   2.941
+ 1176TIP3    H141610  -0.568  -2.936   2.918
+ 1176TIP3    H241611  -0.648  -2.817   2.966
+ 1176TIP3   OH241612  -1.492  -2.919   2.817
+ 1176TIP3    H141613  -1.484  -2.837   2.869
+ 1176TIP3    H241614  -1.582  -2.949   2.841
+ 1176TIP3   OH241615  -1.484  -2.513   1.763
+ 1176TIP3    H141616  -1.400  -2.528   1.718
+ 1176TIP3    H241617  -1.461  -2.445   1.829
+ 1177TIP3   OH241618  -2.080  -2.626   1.975
+ 1177TIP3    H141619  -2.065  -2.669   2.061
+ 1177TIP3    H241620  -2.165  -2.665   1.948
+ 1177TIP3   OH241621  -1.177  -2.610   1.536
+ 1177TIP3    H141622  -1.119  -2.666   1.480
+ 1177TIP3    H241623  -1.153  -2.641   1.625
+ 1177TIP3   OH241624  -1.193  -2.653   1.819
+ 1177TIP3    H141625  -1.287  -2.657   1.841
+ 1177TIP3    H241626  -1.161  -2.723   1.879
+ 1177TIP3   OH241627  -0.873  -3.708   2.974
+ 1177TIP3    H141628  -0.935  -3.662   2.914
+ 1177TIP3    H241629  -0.887  -3.800   2.949
+ 1177TIP3   OH241630  -2.182  -3.040   2.792
+ 1177TIP3    H141631  -2.155  -3.087   2.873
+ 1177TIP3    H241632  -2.255  -3.096   2.758
+ 1177TIP3   OH241633  -1.860  -4.220   2.384
+ 1177TIP3    H141634  -1.941  -4.246   2.338
+ 1177TIP3    H241635  -1.888  -4.137   2.425
+ 1177TIP3   OH241636  -1.403  -4.264   2.741
+ 1177TIP3    H141637  -1.389  -4.308   2.825
+ 1177TIP3    H241638  -1.498  -4.277   2.728
+ 1177TIP3   OH241639  -1.092  -3.859   2.792
+ 1177TIP3    H141640  -1.162  -3.876   2.857
+ 1177TIP3    H241641  -1.110  -3.767   2.764
+ 1177TIP3   OH241642  -1.009  -3.365   1.410
+ 1177TIP3    H141643  -1.028  -3.379   1.315
+ 1177TIP3    H241644  -0.916  -3.336   1.404
+ 1177TIP3   OH241645  -1.448  -3.987   1.449
+ 1177TIP3    H141646  -1.497  -4.000   1.532
+ 1177TIP3    H241647  -1.496  -4.052   1.393
+ 1178TIP3   OH241648  -1.876  -3.716   2.509
+ 1178TIP3    H141649  -1.934  -3.703   2.586
+ 1178TIP3    H241650  -1.868  -3.625   2.473
+ 1178TIP3   OH241651  -1.882  -3.709   1.997
+ 1178TIP3    H141652  -1.978  -3.719   1.982
+ 1178TIP3    H241653  -1.848  -3.727   1.908
+ 1178TIP3   OH241654  -1.321  -3.650   1.873
+ 1178TIP3    H141655  -1.363  -3.568   1.841
+ 1178TIP3    H241656  -1.253  -3.665   1.805
+ 1178TIP3   OH241657  -1.396  -3.636   3.006
+ 1178TIP3    H141658  -1.452  -3.705   3.047
+ 1178TIP3    H241659  -1.313  -3.646   3.056
+ 1178TIP3   OH241660  -1.235  -3.711   2.152
+ 1178TIP3    H141661  -1.265  -3.653   2.080
+ 1178TIP3    H241662  -1.214  -3.792   2.101
+ 1178TIP3   OH241663  -2.140  -3.696   2.692
+ 1178TIP3    H141664  -2.112  -3.669   2.780
+ 1178TIP3    H241665  -2.180  -3.784   2.710
+ 1178TIP3   OH241666  -1.823  -3.932   1.340
+ 1178TIP3    H141667  -1.833  -3.970   1.430
+ 1178TIP3    H241668  -1.911  -3.945   1.303
+ 1178TIP3   OH241669  -2.459  -3.952   2.056
+ 1178TIP3    H141670  -2.401  -3.958   2.135
+ 1178TIP3    H241671  -2.407  -3.995   1.986
+ 1178TIP3   OH241672  -2.299  -3.908   1.630
+ 1178TIP3    H141673  -2.245  -3.861   1.564
+ 1178TIP3    H241674  -2.371  -3.845   1.645
+ 1178TIP3   OH241675  -1.321  -3.544   2.602
+ 1178TIP3    H141676  -1.281  -3.618   2.551
+ 1178TIP3    H241677  -1.359  -3.591   2.678
+ 1179TIP3   OH241678  -1.604  -3.944   2.096
+ 1179TIP3    H141679  -1.698  -3.959   2.117
+ 1179TIP3    H241680  -1.562  -3.972   2.179
+ 1179TIP3   OH241681  -2.146  -3.825   1.966
+ 1179TIP3    H141682  -2.230  -3.800   1.922
+ 1179TIP3    H241683  -2.122  -3.908   1.921
+ 1179TIP3   OH241684  -1.787  -3.789   1.730
+ 1179TIP3    H141685  -1.691  -3.785   1.740
+ 1179TIP3    H241686  -1.806  -3.721   1.663
+ 1179TIP3   OH241687  -1.169  -4.034   2.401
+ 1179TIP3    H141688  -1.233  -4.034   2.476
+ 1179TIP3    H241689  -1.228  -4.064   2.330
+ 1179TIP3   OH241690  -1.943  -3.663   1.494
+ 1179TIP3    H141691  -1.997  -3.716   1.434
+ 1179TIP3    H241692  -1.857  -3.659   1.449
+ 1179TIP3   OH241693  -0.866  -2.457   3.068
+ 1179TIP3    H141694  -0.843  -2.412   2.984
+ 1179TIP3    H241695  -0.795  -2.425   3.126
+ 1179TIP3   OH241696  -2.075  -3.195   3.010
+ 1179TIP3    H141697  -2.007  -3.187   3.080
+ 1179TIP3    H241698  -2.155  -3.196   3.066
+ 1179TIP3   OH241699  -1.503  -3.694   2.283
+ 1179TIP3    H141700  -1.432  -3.739   2.235
+ 1179TIP3    H241701  -1.520  -3.756   2.356
+ 1179TIP3   OH241702  -1.988  -4.066   1.904
+ 1179TIP3    H141703  -2.038  -4.149   1.915
+ 1179TIP3    H241704  -1.904  -4.097   1.868
+ 1179TIP3   OH241705  -1.606  -3.849   2.509
+ 1179TIP3    H141706  -1.682  -3.789   2.507
+ 1179TIP3    H241707  -1.557  -3.820   2.589
+ 1180TIP3   OH241708  -1.602  -3.198   1.691
+ 1180TIP3    H141709  -1.674  -3.257   1.659
+ 1180TIP3    H241710  -1.615  -3.200   1.788
+ 1180TIP3   OH241711  -0.868  -3.295   2.570
+ 1180TIP3    H141712  -0.819  -3.238   2.506
+ 1180TIP3    H241713  -0.954  -3.304   2.525
+ 1180TIP3   OH241714  -1.177  -3.934   1.461
+ 1180TIP3    H141715  -1.275  -3.936   1.461
+ 1180TIP3    H241716  -1.157  -3.862   1.524
+ 1180TIP3   OH241717  -1.429  -3.209   2.828
+ 1180TIP3    H141718  -1.457  -3.240   2.915
+ 1180TIP3    H241719  -1.458  -3.116   2.829
+ 1180TIP3   OH241720  -1.110  -3.749   1.673
+ 1180TIP3    H141721  -1.023  -3.762   1.715
+ 1180TIP3    H241722  -1.101  -3.660   1.635
+ 1180TIP3   OH241723  -2.077  -3.270   2.279
+ 1180TIP3    H141724  -2.022  -3.282   2.200
+ 1180TIP3    H241725  -2.069  -3.356   2.322
+ 1180TIP3   OH241726  -1.355  -3.069   1.591
+ 1180TIP3    H141727  -1.382  -2.983   1.630
+ 1180TIP3    H241728  -1.431  -3.125   1.616
+ 1180TIP3   OH241729  -2.354  -3.443   2.806
+ 1180TIP3    H141730  -2.336  -3.488   2.891
+ 1180TIP3    H241731  -2.412  -3.506   2.759
+ 1180TIP3   OH241732  -1.655  -3.493   3.003
+ 1180TIP3    H141733  -1.689  -3.518   2.915
+ 1180TIP3    H241734  -1.561  -3.517   2.994
+ 1180TIP3   OH241735  -1.202  -2.952   2.776
+ 1180TIP3    H141736  -1.298  -2.941   2.770
+ 1180TIP3    H241737  -1.185  -2.924   2.868
+ 1181TIP3   OH241738  -0.649  -3.745   1.654
+ 1181TIP3    H141739  -0.704  -3.764   1.576
+ 1181TIP3    H241740  -0.637  -3.649   1.639
+ 1181TIP3   OH241741  -0.604  -3.148   2.932
+ 1181TIP3    H141742  -0.697  -3.123   2.914
+ 1181TIP3    H241743  -0.570  -3.157   2.841
+ 1181TIP3   OH241744  -0.838  -2.889   1.658
+ 1181TIP3    H141745  -0.842  -2.966   1.717
+ 1181TIP3    H241746  -0.775  -2.916   1.590
+ 1181TIP3   OH241747  -1.103  -3.350   2.401
+ 1181TIP3    H141748  -1.197  -3.364   2.377
+ 1181TIP3    H241749  -1.060  -3.422   2.351
+ 1181TIP3   OH241750  -1.838  -2.937   2.000
+ 1181TIP3    H141751  -1.797  -2.850   1.983
+ 1181TIP3    H241752  -1.931  -2.917   1.981
+ 1181TIP3   OH241753  -2.242  -3.465   1.469
+ 1181TIP3    H141754  -2.185  -3.395   1.505
+ 1181TIP3    H241755  -2.330  -3.435   1.498
+ 1181TIP3   OH241756  -1.658  -3.171   1.968
+ 1181TIP3    H141757  -1.690  -3.080   1.982
+ 1181TIP3    H241758  -1.728  -3.222   2.010
+ 1181TIP3   OH241759  -1.641  -2.747   2.602
+ 1181TIP3    H141760  -1.585  -2.672   2.575
+ 1181TIP3    H241761  -1.580  -2.796   2.658
+ 1181TIP3   OH241762  -1.792  -2.665   1.899
+ 1181TIP3    H141763  -1.887  -2.647   1.900
+ 1181TIP3    H241764  -1.756  -2.578   1.922
+ 1181TIP3   OH241765  -1.301  -3.173   2.558
+ 1181TIP3    H141766  -1.329  -3.199   2.648
+ 1181TIP3    H241767  -1.226  -3.233   2.543
+ 1182TIP3   OH241768  -1.085  -3.040   1.449
+ 1182TIP3    H141769  -1.038  -3.081   1.524
+ 1182TIP3    H241770  -1.176  -3.054   1.479
+ 1182TIP3   OH241771  -1.005  -2.715   2.797
+ 1182TIP3    H141772  -1.081  -2.759   2.755
+ 1182TIP3    H241773  -0.995  -2.635   2.743
+ 1182TIP3   OH241774  -0.609  -2.614   1.503
+ 1182TIP3    H141775  -0.539  -2.549   1.484
+ 1182TIP3    H241776  -0.686  -2.553   1.504
+ 1182TIP3   OH241777  -2.219  -3.961   2.763
+ 1182TIP3    H141778  -2.310  -3.943   2.733
+ 1182TIP3    H241779  -2.235  -4.047   2.808
+ 1182TIP3   OH241780  -0.989  -3.181   1.691
+ 1182TIP3    H141781  -1.011  -3.255   1.750
+ 1182TIP3    H241782  -0.891  -3.181   1.695
+ 1182TIP3   OH241783  -2.245  -2.803   2.607
+ 1182TIP3    H141784  -2.215  -2.893   2.622
+ 1182TIP3    H241785  -2.222  -2.762   2.691
+ 1182TIP3   OH241786  -1.657  -2.929   1.311
+ 1182TIP3    H141787  -1.622  -3.002   1.256
+ 1182TIP3    H241788  -1.696  -2.977   1.385
+ 1182TIP3   OH241789  -1.773  -2.953   1.596
+ 1182TIP3    H141790  -1.727  -3.027   1.637
+ 1182TIP3    H241791  -1.745  -2.880   1.651
+ 1182TIP3   OH241792  -2.089  -3.240   1.621
+ 1182TIP3    H141793  -2.164  -3.203   1.672
+ 1182TIP3    H241794  -2.048  -3.158   1.588
+ 1182TIP3   OH241795  -1.324  -4.009   2.629
+ 1182TIP3    H141796  -1.270  -3.983   2.704
+ 1182TIP3    H241797  -1.367  -4.090   2.662
+ 1183TIP3   OH241798  -1.250  -4.056   1.745
+ 1183TIP3    H141799  -1.241  -3.998   1.668
+ 1183TIP3    H241800  -1.214  -4.001   1.816
+ 1183TIP3   OH241801  -1.487  -2.819   1.646
+ 1183TIP3    H141802  -1.557  -2.757   1.668
+ 1183TIP3    H241803  -1.444  -2.778   1.569
+ 1183TIP3   OH241804  -1.521  -3.849   1.845
+ 1183TIP3    H141805  -1.445  -3.788   1.858
+ 1183TIP3    H241806  -1.548  -3.866   1.937
+ 1183TIP3   OH241807  -1.480  -3.760   2.756
+ 1183TIP3    H141808  -1.476  -3.709   2.839
+ 1183TIP3    H241809  -1.427  -3.837   2.778
+ 1183TIP3   OH241810  -1.441  -4.173   1.949
+ 1183TIP3    H141811  -1.480  -4.096   1.995
+ 1183TIP3    H241812  -1.391  -4.130   1.878
+ 1183TIP3   OH241813  -1.888  -4.045   1.588
+ 1183TIP3    H141814  -1.888  -3.968   1.648
+ 1183TIP3    H241815  -1.805  -4.089   1.616
+ 1183TIP3   OH241816  -0.821  -3.968   2.815
+ 1183TIP3    H141817  -0.915  -3.958   2.837
+ 1183TIP3    H241818  -0.833  -3.981   2.720
+ 1183TIP3   OH241819  -1.004  -3.575   2.249
+ 1183TIP3    H141820  -1.087  -3.618   2.221
+ 1183TIP3    H241821  -0.958  -3.648   2.295
+ 1183TIP3   OH241822  -2.043  -2.966   1.499
+ 1183TIP3    H141823  -1.965  -2.921   1.536
+ 1183TIP3    H241824  -2.002  -3.012   1.424
+ 1183TIP3   OH241825  -2.222  -3.743   1.394
+ 1183TIP3    H141826  -2.218  -3.652   1.429
+ 1183TIP3    H241827  -2.314  -3.750   1.364
+ 1184TIP3   OH241828  -0.897  -2.688   2.391
+ 1184TIP3    H141829  -0.916  -2.608   2.337
+ 1184TIP3    H241830  -0.803  -2.674   2.408
+ 1184TIP3   OH241831  -2.221  -4.242   2.302
+ 1184TIP3    H141832  -2.187  -4.243   2.211
+ 1184TIP3    H241833  -2.196  -4.332   2.329
+ 1184TIP3   OH241834  -2.252  -2.889   1.914
+ 1184TIP3    H141835  -2.330  -2.838   1.938
+ 1184TIP3    H241836  -2.215  -2.836   1.842
+ 1184TIP3   OH241837  -2.312  -2.598   3.029
+ 1184TIP3    H141838  -2.253  -2.626   3.101
+ 1184TIP3    H241839  -2.350  -2.683   3.001
+ 1184TIP3   OH241840  -1.842  -2.690   3.205
+ 1184TIP3    H141841  -1.774  -2.754   3.230
+ 1184TIP3    H241842  -1.864  -2.719   3.115
+ 1184TIP3   OH241843  -1.449  -2.744   1.374
+ 1184TIP3    H141844  -1.509  -2.818   1.347
+ 1184TIP3    H241845  -1.364  -2.777   1.339
+ 1184TIP3   OH241846  -1.193  -2.867   3.063
+ 1184TIP3    H141847  -1.234  -2.946   3.102
+ 1184TIP3    H241848  -1.126  -2.843   3.130
+ 1184TIP3   OH241849  -0.985  -2.767   1.377
+ 1184TIP3    H141850  -0.961  -2.845   1.429
+ 1184TIP3    H241851  -0.906  -2.756   1.320
+ 1184TIP3   OH241852  -2.316  -3.236   3.140
+ 1184TIP3    H141853  -2.307  -3.326   3.106
+ 1184TIP3    H241854  -2.392  -3.204   3.088
+ 1184TIP3   OH241855  -1.893  -3.184   1.347
+ 1184TIP3    H141856  -1.877  -3.250   1.416
+ 1184TIP3    H241857  -1.810  -3.192   1.295
+ 1185TIP3   OH241858  -1.652  -3.216   3.074
+ 1185TIP3    H141859  -1.683  -3.183   2.988
+ 1185TIP3    H241860  -1.645  -3.312   3.060
+ 1185TIP3   OH241861  -1.379  -3.061   1.306
+ 1185TIP3    H141862  -1.373  -3.064   1.403
+ 1185TIP3    H241863  -1.375  -3.156   1.284
+ 1185TIP3   OH241864  -1.115  -3.253   2.814
+ 1185TIP3    H141865  -1.039  -3.197   2.794
+ 1185TIP3    H241866  -1.187  -3.187   2.813
+ 1185TIP3   OH241867  -2.230  -3.523   3.057
+ 1185TIP3    H141868  -2.154  -3.584   3.057
+ 1185TIP3    H241869  -2.234  -3.499   3.151
+ 1185TIP3   OH241870  -1.783  -3.387   1.576
+ 1185TIP3    H141871  -1.848  -3.434   1.630
+ 1185TIP3    H241872  -1.758  -3.456   1.512
+ 1185TIP3   OH241873  -1.864  -3.609   2.799
+ 1185TIP3    H141874  -1.917  -3.531   2.822
+ 1185TIP3    H241875  -1.799  -3.572   2.737
+ 1185TIP3   OH241876  -1.687  -3.584   1.393
+ 1185TIP3    H141877  -1.686  -3.578   1.297
+ 1185TIP3    H241878  -1.592  -3.587   1.415
+ 1185TIP3   OH241879  -1.336  -3.339   3.155
+ 1185TIP3    H141880  -1.245  -3.357   3.130
+ 1185TIP3    H241881  -1.359  -3.420   3.204
+ 1185TIP3   OH241882  -0.740  -3.332   1.334
+ 1185TIP3    H141883  -0.749  -3.372   1.246
+ 1185TIP3    H241884  -0.749  -3.237   1.311
+ 1185TIP3   OH241885  -1.806  -3.880   2.911
+ 1185TIP3    H141886  -1.797  -3.944   2.838
+ 1185TIP3    H241887  -1.827  -3.798   2.863
+ 1186TIP3   OH241888  -1.766  -4.038   2.654
+ 1186TIP3    H141889  -1.715  -3.982   2.592
+ 1186TIP3    H241890  -1.858  -4.027   2.620
+ 1186TIP3   OH241891  -1.616  -3.488   2.699
+ 1186TIP3    H141892  -1.531  -3.493   2.652
+ 1186TIP3    H241893  -1.648  -3.400   2.670
+ 1186TIP3   OH241894  -1.158  -3.707   3.178
+ 1186TIP3    H141895  -1.137  -3.799   3.201
+ 1186TIP3    H241896  -1.072  -3.664   3.185
+ 1186TIP3   OH241897  -1.058  -3.422   3.022
+ 1186TIP3    H141898  -1.097  -3.359   2.957
+ 1186TIP3    H241899  -0.968  -3.431   2.986
+ 1186TIP3   OH241900  -1.986  -3.695   3.091
+ 1186TIP3    H141901  -2.036  -3.779   3.094
+ 1186TIP3    H241902  -1.903  -3.724   3.050
+ 1186TIP3   OH241903  -1.718  -4.277   2.777
+ 1186TIP3    H141904  -1.707  -4.187   2.740
+ 1186TIP3    H241905  -1.811  -4.291   2.755
+ 1186TIP3   OH241906  -1.571  -3.844   3.069
+ 1186TIP3    H141907  -1.598  -3.870   3.159
+ 1186TIP3    H241908  -1.654  -3.863   3.020
+ 1186TIP3   OH241909  -1.313  -3.950   2.964
+ 1186TIP3    H141910  -1.400  -3.930   3.004
+ 1186TIP3    H241911  -1.273  -4.006   3.033
+ 1186TIP3   OH241912  -1.145  -4.119   3.152
+ 1186TIP3    H141913  -1.148  -4.208   3.187
+ 1186TIP3    H241914  -1.160  -4.066   3.234
+ 1186TIP3   OH241915  -2.104  -3.960   3.083
+ 1186TIP3    H141916  -2.131  -4.020   3.011
+ 1186TIP3    H241917  -2.149  -3.998   3.160
+ 1187TIP3   OH241918  -1.610  -4.151   3.177
+ 1187TIP3    H141919  -1.637  -4.233   3.131
+ 1187TIP3    H241920  -1.694  -4.102   3.186
+ 1187TIP3   OH241921  -2.323  -3.022   1.467
+ 1187TIP3    H141922  -2.228  -3.002   1.477
+ 1187TIP3    H241923  -2.322  -3.098   1.406
+ 1187TIP3   OH241924  -2.425  -2.500   1.939
+ 1187TIP3    H141925  -2.495  -2.538   1.883
+ 1187TIP3    H241926  -2.414  -2.569   2.007
+ 1187TIP3   OH241927  -2.385  -2.698   2.137
+ 1187TIP3    H141928  -2.413  -2.786   2.169
+ 1187TIP3    H241929  -2.349  -2.663   2.220
+ 1187TIP3   OH241930  -0.618  -2.582   2.434
+ 1187TIP3    H141931  -0.601  -2.574   2.528
+ 1187TIP3    H241932  -0.541  -2.535   2.397
+ 1187TIP3   OH241933  -0.643  -2.627   2.728
+ 1187TIP3    H141934  -0.689  -2.702   2.687
+ 1187TIP3    H241935  -0.583  -2.674   2.788
+ 1187TIP3   OH241936  -0.839  -3.090   3.158
+ 1187TIP3    H141937  -0.929  -3.079   3.194
+ 1187TIP3    H241938  -0.796  -3.007   3.184
+ 1187TIP3   OH241939  -0.702  -3.194   1.728
+ 1187TIP3    H141940  -0.612  -3.160   1.742
+ 1187TIP3    H241941  -0.707  -3.258   1.801
+ 1187TIP3   OH241942  -0.655  -3.398   1.925
+ 1187TIP3    H141943  -0.720  -3.456   1.969
+ 1187TIP3    H241944  -0.586  -3.386   1.993
+ 1187TIP3   OH241945  -0.680  -3.150   2.425
+ 1187TIP3    H141946  -0.619  -3.195   2.364
+ 1187TIP3    H241947  -0.670  -3.057   2.396
+ 1188TIP3   OH241948  -0.811  -2.863   2.651
+ 1188TIP3    H141949  -0.883  -2.816   2.697
+ 1188TIP3    H241950  -0.856  -2.893   2.570
+ 1188TIP3   OH241951  -0.631  -3.456   1.584
+ 1188TIP3    H141952  -0.680  -3.426   1.505
+ 1188TIP3    H241953  -0.641  -3.378   1.642
+ 1188TIP3   OH241954  -0.801  -3.700   1.409
+ 1188TIP3    H141955  -0.775  -3.637   1.340
+ 1188TIP3    H241956  -0.826  -3.779   1.358
+ 1188TIP3   OH241957  -0.858  -3.585   2.008
+ 1188TIP3    H141958  -0.869  -3.679   1.987
+ 1188TIP3    H241959  -0.900  -3.577   2.096
+ 1188TIP3   OH241960  -2.376  -3.364   2.377
+ 1188TIP3    H141961  -2.352  -3.359   2.283
+ 1188TIP3    H241962  -2.290  -3.386   2.417
+ 1188TIP3   OH241963  -0.789  -3.404   2.934
+ 1188TIP3    H141964  -0.711  -3.460   2.953
+ 1188TIP3    H241965  -0.749  -3.321   2.905
+ 1188TIP3   OH241966  -0.627  -3.621   3.035
+ 1188TIP3    H141967  -0.714  -3.660   3.012
+ 1188TIP3    H241968  -0.563  -3.691   3.020
+ 1188TIP3   OH241969  -0.860  -3.970   1.326
+ 1188TIP3    H141970  -0.801  -4.013   1.390
+ 1188TIP3    H241971  -0.942  -4.019   1.336
+ 1188TIP3   OH241972  -0.878  -3.827   1.827
+ 1188TIP3    H141973  -0.860  -3.924   1.832
+ 1188TIP3    H241974  -0.796  -3.796   1.784
+ 1188TIP3   OH241975  -0.854  -3.776   2.368
+ 1188TIP3    H141976  -0.758  -3.763   2.363
+ 1188TIP3    H241977  -0.867  -3.773   2.465
+ 1189TIP3   OH241978  -0.811  -3.721   2.653
+ 1189TIP3    H141979  -0.897  -3.687   2.684
+ 1189TIP3    H241980  -0.762  -3.639   2.633
+ 1189TIP3   OH241981  -2.392  -3.836   3.029
+ 1189TIP3    H141982  -2.299  -3.857   3.013
+ 1189TIP3    H241983  -2.434  -3.923   3.026
+ 1189TIP3   OH241984  -0.643  -4.271   3.178
+ 1189TIP3    H141985  -0.578  -4.336   3.207
+ 1189TIP3    H241986  -0.591  -4.196   3.145
+ 1189TIP3   OH241987  -0.849  -4.098   1.835
+ 1189TIP3    H141988  -0.824  -4.150   1.912
+ 1189TIP3    H241989  -0.911  -4.160   1.790
+ 1189TIP3   OH241990  -2.316  -3.990   2.298
+ 1189TIP3    H141991  -2.285  -4.083   2.307
+ 1189TIP3    H241992  -2.240  -3.941   2.335
+ 1189TIP3   OH241993  -2.455  -3.727   2.400
+ 1189TIP3    H141994  -2.396  -3.734   2.323
+ 1189TIP3    H241995  -2.417  -3.653   2.447
+ 1189TIP3   OH241996  -0.620  -4.067   2.996
+ 1189TIP3    H141997  -0.702  -4.039   3.042
+ 1189TIP3    H241998  -0.654  -4.143   2.945
+ 1189TIP3   OH241999  -0.634  -4.060   1.498
+ 1189TIP3    H142000  -0.616  -4.143   1.449
+ 1189TIP3    H242001  -0.549  -4.013   1.493
+ 1189TIP3   OH242002  -2.403  -4.098   1.810
+ 1189TIP3    H142003  -2.497  -4.096   1.786
+ 1189TIP3    H242004  -2.363  -4.033   1.749
+ 1189TIP3   OH242005  -0.941  -2.570   2.022
+ 1189TIP3    H142006  -0.897  -2.590   1.937
+ 1189TIP3    H242007  -0.870  -2.523   2.068
+ 1190TIP3   OH242008  -2.425  -4.127   2.658
+ 1190TIP3    H142009  -2.423  -4.221   2.685
+ 1190TIP3    H242010  -2.444  -4.134   2.564
+ 1190TIP3   OH242011  -2.201  -2.896   3.089
+ 1190TIP3    H142012  -2.276  -2.898   3.027
+ 1190TIP3    H242013  -2.245  -2.901   3.175
+ 1190TIP3   OH242014  -1.917  -2.799   2.656
+ 1190TIP3    H142015  -1.947  -2.713   2.622
+ 1190TIP3    H242016  -1.821  -2.790   2.640
+ 1190TIP3   OH242017  -1.466  -2.668   2.958
+ 1190TIP3    H142018  -1.452  -2.684   3.053
+ 1190TIP3    H242019  -1.383  -2.622   2.933
+ 1190TIP3   OH242020  -1.238  -2.522   2.882
+ 1190TIP3    H142021  -1.168  -2.586   2.860
+ 1190TIP3    H242022  -1.207  -2.491   2.970
+ 1190TIP3   OH242023  -0.761  -4.276   2.803
+ 1190TIP3    H142024  -0.818  -4.210   2.758
+ 1190TIP3    H242025  -0.775  -4.352   2.743
+ 1190TIP3   OH242026  -2.180  -2.503   2.690
+ 1190TIP3    H142027  -2.239  -2.439   2.646
+ 1190TIP3    H242028  -2.213  -2.498   2.781
+ 1190TIP3   OH242029  -1.930  -2.526   2.545
+ 1190TIP3    H142030  -2.015  -2.507   2.589
+ 1190TIP3    H242031  -1.926  -2.456   2.477
+ 1190TIP3   OH242032  -1.456  -2.525   2.501
+ 1190TIP3    H142033  -1.493  -2.480   2.424
+ 1190TIP3    H242034  -1.446  -2.451   2.564
+ 1190TIP3   OH242035  -1.222  -2.655   2.593
+ 1190TIP3    H142036  -1.307  -2.617   2.561
+ 1190TIP3    H242037  -1.165  -2.576   2.592
+ 1191TIP3   OH242038  -0.971  -2.481   2.611
+ 1191TIP3    H142039  -0.973  -2.386   2.588
+ 1191TIP3    H242040  -0.941  -2.519   2.527
+ 1191TIP3   OH242041  -2.223  -2.624   2.385
+ 1191TIP3    H142042  -2.224  -2.672   2.470
+ 1191TIP3    H242043  -2.146  -2.666   2.341
+ 1191TIP3   OH242044  -2.020  -2.747   2.231
+ 1191TIP3    H142045  -2.036  -2.840   2.256
+ 1191TIP3    H242046  -1.929  -2.732   2.261
+ 1191TIP3   OH242047  -1.744  -2.703   2.316
+ 1191TIP3    H142048  -1.726  -2.797   2.297
+ 1191TIP3    H242049  -1.737  -2.703   2.413
+ 1191TIP3   OH242050  -1.413  -4.112   2.249
+ 1191TIP3    H142051  -1.477  -4.182   2.276
+ 1191TIP3    H242052  -1.358  -4.160   2.186
+ 1191TIP3   OH242053  -0.886  -4.326   2.296
+ 1191TIP3    H142054  -0.827  -4.290   2.227
+ 1191TIP3    H242055  -0.974  -4.307   2.259
+ 1191TIP3   OH242056  -0.689  -4.225   2.076
+ 1191TIP3    H142057  -0.637  -4.247   1.998
+ 1191TIP3    H242058  -0.672  -4.129   2.085
+ 1191TIP3   OH242059  -2.183  -4.277   1.993
+ 1191TIP3    H142060  -2.267  -4.300   1.951
+ 1191TIP3    H242061  -2.143  -4.364   2.006
+ 1191TIP3   OH242062  -2.323  -4.291   1.611
+ 1191TIP3    H142063  -2.291  -4.257   1.526
+ 1191TIP3    H242064  -2.352  -4.209   1.655
+ 1191TIP3   OH242065  -1.729  -4.227   2.004
+ 1191TIP3    H142066  -1.634  -4.236   1.985
+ 1191TIP3    H242067  -1.744  -4.293   2.072
+ 1192TIP3   OH242068  -1.165  -4.267   2.144
+ 1192TIP3    H142069  -1.142  -4.261   2.050
+ 1192TIP3    H242070  -1.190  -4.360   2.155
+ 1192TIP3   OH242071  -1.064  -4.272   1.738
+ 1192TIP3    H142072  -1.140  -4.213   1.717
+ 1192TIP3    H242073  -1.103  -4.360   1.735
+ 1192TIP3   OH242074  -2.277  -2.696   1.709
+ 1192TIP3    H142075  -2.339  -2.708   1.636
+ 1192TIP3    H242076  -2.277  -2.599   1.714
+ 1192TIP3   OH242077  -2.125  -4.107   1.436
+ 1192TIP3    H142078  -2.065  -4.162   1.383
+ 1192TIP3    H242079  -2.066  -4.074   1.506
+ 1192TIP3   OH242080  -1.602  -4.058   1.672
+ 1192TIP3    H142081  -1.596  -4.144   1.718
+ 1192TIP3    H242082  -1.586  -3.993   1.742
+ 1192TIP3   OH242083  -0.762  -2.609   1.779
+ 1192TIP3    H142084  -0.781  -2.691   1.731
+ 1192TIP3    H242085  -0.759  -2.545   1.706
+ 1192TIP3   OH242086  -2.216  -4.178   2.925
+ 1192TIP3    H142087  -2.261  -4.257   2.957
+ 1192TIP3    H242088  -2.128  -4.215   2.913
+ 1192TIP3   OH242089  -1.924  -4.279   3.189
+ 1192TIP3    H142090  -1.837  -4.307   3.152
+ 1192TIP3    H242091  -1.948  -4.356   3.242
+ 1192TIP3   OH242092  -2.140  -2.609   1.387
+ 1192TIP3    H142093  -2.161  -2.567   1.472
+ 1192TIP3    H242094  -2.060  -2.659   1.408
+ 1192TIP3   OH242095  -0.810  -2.735   3.017
+ 1192TIP3    H142096  -0.883  -2.753   2.954
+ 1192TIP3    H242097  -0.825  -2.641   3.036
+ 1193TIP3   OH242098   0.610  -3.368   2.030
+ 1193TIP3    H142099   0.611  -3.271   2.041
+ 1193TIP3    H242100   0.535  -3.379   1.971
+ 1193TIP3   OH242101   0.497  -3.422   2.336
+ 1193TIP3    H142102   0.495  -3.478   2.415
+ 1193TIP3    H242103   0.469  -3.484   2.267
+ 1193TIP3   OH242104  -0.253  -3.470   2.504
+ 1193TIP3    H142105  -0.256  -3.535   2.576
+ 1193TIP3    H242106  -0.184  -3.410   2.535
+ 1193TIP3   OH242107   0.865  -3.149   2.169
+ 1193TIP3    H142108   0.827  -3.219   2.224
+ 1193TIP3    H242109   0.892  -3.085   2.236
+ 1193TIP3   OH242110  -0.191  -3.002   2.357
+ 1193TIP3    H142111  -0.214  -3.093   2.330
+ 1193TIP3    H242112  -0.095  -3.012   2.373
+ 1193TIP3   OH242113  -0.493  -3.664   1.895
+ 1193TIP3    H142114  -0.529  -3.573   1.901
+ 1193TIP3    H242115  -0.564  -3.708   1.848
+ 1193TIP3   OH242116  -0.411  -3.415   2.079
+ 1193TIP3    H142117  -0.394  -3.498   2.127
+ 1193TIP3    H242118  -0.328  -3.402   2.031
+ 1193TIP3   OH242119   0.570  -2.613   2.223
+ 1193TIP3    H142120   0.630  -2.684   2.194
+ 1193TIP3    H242121   0.541  -2.644   2.310
+ 1193TIP3   OH242122   0.345  -3.172   2.394
+ 1193TIP3    H142123   0.378  -3.243   2.336
+ 1193TIP3    H242124   0.426  -3.156   2.445
+ 1193TIP3   OH242125   1.214  -4.022   2.456
+ 1193TIP3    H142126   1.243  -3.964   2.529
+ 1193TIP3    H242127   1.276  -3.992   2.386
+ 1194TIP3   OH242128   0.671  -3.741   2.445
+ 1194TIP3    H142129   0.695  -3.835   2.445
+ 1194TIP3    H242130   0.666  -3.722   2.350
+ 1194TIP3   OH242131  -0.032  -3.942   2.156
+ 1194TIP3    H142132  -0.014  -3.857   2.110
+ 1194TIP3    H242133  -0.062  -3.995   2.079
+ 1194TIP3   OH242134   0.761  -3.921   1.990
+ 1194TIP3    H142135   0.824  -3.963   2.052
+ 1194TIP3    H242136   0.822  -3.877   1.929
+ 1194TIP3   OH242137  -0.359  -3.665   2.204
+ 1194TIP3    H142138  -0.296  -3.714   2.259
+ 1194TIP3    H242139  -0.350  -3.712   2.119
+ 1194TIP3   OH242140   0.178  -3.525   2.149
+ 1194TIP3    H142141   0.250  -3.580   2.187
+ 1194TIP3    H242142   0.129  -3.592   2.098
+ 1194TIP3   OH242143   1.286  -3.871   2.698
+ 1194TIP3    H142144   1.223  -3.800   2.679
+ 1194TIP3    H242145   1.276  -3.882   2.793
+ 1194TIP3   OH242146  -0.164  -4.045   2.593
+ 1194TIP3    H142147  -0.192  -4.006   2.509
+ 1194TIP3    H242148  -0.235  -4.019   2.651
+ 1194TIP3   OH242149   0.600  -3.083   1.908
+ 1194TIP3    H142150   0.571  -3.102   1.819
+ 1194TIP3    H242151   0.557  -2.998   1.926
+ 1194TIP3   OH242152   0.145  -3.270   2.580
+ 1194TIP3    H142153   0.072  -3.209   2.606
+ 1194TIP3    H242154   0.208  -3.210   2.536
+ 1194TIP3   OH242155   0.945  -4.014   2.191
+ 1194TIP3    H142156   0.899  -4.058   2.264
+ 1194TIP3    H242157   1.001  -3.951   2.239
+ 1195TIP3   OH242158  -0.187  -3.863   2.368
+ 1195TIP3    H142159  -0.125  -3.798   2.408
+ 1195TIP3    H242160  -0.132  -3.894   2.292
+ 1195TIP3   OH242161  -0.057  -3.085   2.654
+ 1195TIP3    H142162  -0.057  -2.994   2.619
+ 1195TIP3    H242163  -0.144  -3.085   2.699
+ 1195TIP3   OH242164  -0.426  -3.112   1.742
+ 1195TIP3    H142165  -0.442  -3.062   1.659
+ 1195TIP3    H242166  -0.408  -3.041   1.807
+ 1195TIP3   OH242167   0.919  -2.967   2.419
+ 1195TIP3    H142168   0.823  -2.954   2.420
+ 1195TIP3    H242169   0.948  -2.882   2.381
+ 1195TIP3   OH242170   0.965  -4.115   2.586
+ 1195TIP3    H142171   0.886  -4.076   2.546
+ 1195TIP3    H242172   1.032  -4.096   2.519
+ 1195TIP3   OH242173   0.277   4.365   2.312
+ 1195TIP3    H142174   0.244   4.279   2.288
+ 1195TIP3    H242175   0.195   4.415   2.329
+ 1195TIP3   OH242176   0.753  -2.775   2.078
+ 1195TIP3    H142177   0.802  -2.853   2.044
+ 1195TIP3    H242178   0.818  -2.704   2.063
+ 1195TIP3   OH242179   0.896  -2.988   1.937
+ 1195TIP3    H142180   0.844  -3.033   1.868
+ 1195TIP3    H242181   0.890  -3.052   2.010
+ 1195TIP3   OH242182   1.050  -3.106   2.786
+ 1195TIP3    H142183   1.040  -3.169   2.713
+ 1195TIP3    H242184   1.061  -3.021   2.738
+ 1195TIP3   OH242185   0.476  -3.417   1.757
+ 1195TIP3    H142186   0.410  -3.354   1.720
+ 1195TIP3    H242187   0.547  -3.410   1.691
+ 1196TIP3   OH242188   0.504  -3.598   1.463
+ 1196TIP3    H142189   0.574  -3.565   1.522
+ 1196TIP3    H242190   0.557  -3.652   1.403
+ 1196TIP3   OH242191   1.224  -3.490   2.582
+ 1196TIP3    H142192   1.154  -3.421   2.588
+ 1196TIP3    H242193   1.274  -3.458   2.504
+ 1196TIP3   OH242194   0.827  -3.415   1.863
+ 1196TIP3    H142195   0.759  -3.393   1.931
+ 1196TIP3    H242196   0.888  -3.470   1.916
+ 1196TIP3   OH242197   0.810  -3.563   2.747
+ 1196TIP3    H142198   0.818  -3.482   2.801
+ 1196TIP3    H242199   0.748  -3.530   2.680
+ 1196TIP3   OH242200  -0.017  -3.339   2.044
+ 1196TIP3    H142201  -0.046  -3.379   1.960
+ 1196TIP3    H242202   0.052  -3.401   2.073
+ 1196TIP3   OH242203   0.119  -3.000   2.317
+ 1196TIP3    H142204   0.112  -3.033   2.226
+ 1196TIP3    H242205   0.201  -3.043   2.348
+ 1196TIP3   OH242206   0.047  -3.460   2.393
+ 1196TIP3    H142207   0.101  -3.453   2.311
+ 1196TIP3    H242208   0.085  -3.388   2.448
+ 1196TIP3   OH242209   0.641  -2.906   2.448
+ 1196TIP3    H142210   0.641  -2.837   2.517
+ 1196TIP3    H242211   0.618  -2.987   2.496
+ 1196TIP3   OH242212   0.128  -3.027   2.875
+ 1196TIP3    H142213   0.078  -2.957   2.922
+ 1196TIP3    H242214   0.065  -3.050   2.804
+ 1196TIP3   OH242215   0.724  -3.472   1.609
+ 1196TIP3    H142216   0.770  -3.443   1.691
+ 1196TIP3    H242217   0.772  -3.420   1.541
+ 1197TIP3   OH242218  -0.179  -3.391   2.788
+ 1197TIP3    H142219  -0.170  -3.327   2.861
+ 1197TIP3    H242220  -0.276  -3.395   2.780
+ 1197TIP3   OH242221   0.470  -2.810   1.966
+ 1197TIP3    H142222   0.514  -2.778   2.046
+ 1197TIP3    H242223   0.419  -2.733   1.938
+ 1197TIP3   OH242224  -0.059  -2.808   2.955
+ 1197TIP3    H142225  -0.069  -2.800   2.858
+ 1197TIP3    H242226  -0.148  -2.833   2.984
+ 1197TIP3   OH242227   1.040  -4.320   1.531
+ 1197TIP3    H142228   1.005  -4.325   1.621
+ 1197TIP3    H242229   1.120  -4.269   1.548
+ 1197TIP3   OH242230  -0.123  -3.463   1.796
+ 1197TIP3    H142231  -0.140  -3.386   1.739
+ 1197TIP3    H242232  -0.189  -3.526   1.763
+ 1197TIP3   OH242233   1.204  -2.882   1.413
+ 1197TIP3    H142234   1.220  -2.788   1.434
+ 1197TIP3    H242235   1.291  -2.922   1.434
+ 1197TIP3   OH242236  -0.515  -3.195   2.667
+ 1197TIP3    H142237  -0.560  -3.191   2.580
+ 1197TIP3    H242238  -0.502  -3.291   2.679
+ 1197TIP3   OH242239  -0.511  -2.906   2.362
+ 1197TIP3    H142240  -0.416  -2.929   2.365
+ 1197TIP3    H242241  -0.515  -2.839   2.432
+ 1197TIP3   OH242242   1.329  -2.842   2.939
+ 1197TIP3    H142243   1.318  -2.937   2.918
+ 1197TIP3    H242244   1.238  -2.818   2.966
+ 1197TIP3   OH242245   0.394  -2.921   2.818
+ 1197TIP3    H142246   0.402  -2.838   2.869
+ 1197TIP3    H242247   0.303  -2.949   2.840
+ 1198TIP3   OH242248   0.429  -2.539   1.818
+ 1198TIP3    H142249   0.420  -2.530   1.722
+ 1198TIP3    H242250   0.423  -2.447   1.850
+ 1198TIP3   OH242251  -0.189  -2.638   1.969
+ 1198TIP3    H142252  -0.185  -2.673   2.060
+ 1198TIP3    H242253  -0.281  -2.653   1.945
+ 1198TIP3   OH242254   0.748  -2.597   1.533
+ 1198TIP3    H142255   0.808  -2.658   1.486
+ 1198TIP3    H242256   0.749  -2.635   1.623
+ 1198TIP3   OH242257   0.691  -2.653   1.812
+ 1198TIP3    H142258   0.596  -2.638   1.828
+ 1198TIP3    H242259   0.708  -2.725   1.875
+ 1198TIP3   OH242260   1.009  -3.709   2.977
+ 1198TIP3    H142261   0.958  -3.668   2.906
+ 1198TIP3    H242262   1.015  -3.802   2.947
+ 1198TIP3   OH242263  -0.297  -3.037   2.790
+ 1198TIP3    H142264  -0.271  -3.084   2.872
+ 1198TIP3    H242265  -0.370  -3.091   2.755
+ 1198TIP3   OH242266   0.023  -4.217   2.393
+ 1198TIP3    H142267  -0.057  -4.244   2.345
+ 1198TIP3    H242268   0.001  -4.126   2.418
+ 1198TIP3   OH242269   0.480  -4.270   2.735
+ 1198TIP3    H142270   0.500  -4.312   2.819
+ 1198TIP3    H242271   0.384  -4.281   2.731
+ 1198TIP3   OH242272   0.776  -3.865   2.780
+ 1198TIP3    H142273   0.721  -3.874   2.860
+ 1198TIP3    H242274   0.774  -3.769   2.764
+ 1198TIP3   OH242275   0.878  -3.364   1.410
+ 1198TIP3    H142276   0.858  -3.379   1.316
+ 1198TIP3    H242277   0.971  -3.337   1.404
+ 1199TIP3   OH242278   0.443  -3.994   1.456
+ 1199TIP3    H142279   0.388  -4.004   1.536
+ 1199TIP3    H242280   0.393  -4.054   1.395
+ 1199TIP3   OH242281   0.009  -3.715   2.506
+ 1199TIP3    H142282  -0.043  -3.698   2.585
+ 1199TIP3    H242283   0.022  -3.625   2.470
+ 1199TIP3   OH242284   0.004  -3.711   1.999
+ 1199TIP3    H142285  -0.091  -3.716   1.981
+ 1199TIP3    H242286   0.040  -3.726   1.909
+ 1199TIP3   OH242287   0.565  -3.652   1.874
+ 1199TIP3    H142288   0.525  -3.569   1.841
+ 1199TIP3    H242289   0.633  -3.667   1.806
+ 1199TIP3   OH242290   0.485  -3.633   3.006
+ 1199TIP3    H142291   0.433  -3.706   3.046
+ 1199TIP3    H242292   0.571  -3.642   3.051
+ 1199TIP3   OH242293   0.649  -3.712   2.153
+ 1199TIP3    H142294   0.621  -3.653   2.080
+ 1199TIP3    H242295   0.672  -3.792   2.101
+ 1199TIP3   OH242296  -0.274  -3.719   2.708
+ 1199TIP3    H142297  -0.225  -3.666   2.772
+ 1199TIP3    H242298  -0.276  -3.805   2.751
+ 1199TIP3   OH242299   0.083  -3.944   1.350
+ 1199TIP3    H142300   0.046  -3.980   1.433
+ 1199TIP3    H242301   0.004  -3.925   1.298
+ 1199TIP3   OH242302  -0.577  -3.960   2.059
+ 1199TIP3    H142303  -0.516  -3.958   2.135
+ 1199TIP3    H242304  -0.521  -3.990   1.986
+ 1199TIP3   OH242305  -0.413  -3.910   1.629
+ 1199TIP3    H142306  -0.360  -3.860   1.564
+ 1199TIP3    H242307  -0.485  -3.846   1.645
+ 1200TIP3   OH242308   0.557  -3.544   2.597
+ 1200TIP3    H142309   0.603  -3.616   2.548
+ 1200TIP3    H242310   0.530  -3.588   2.679
+ 1200TIP3   OH242311   0.282  -3.945   2.096
+ 1200TIP3    H142312   0.188  -3.959   2.115
+ 1200TIP3    H242313   0.322  -3.966   2.181
+ 1200TIP3   OH242314  -0.266  -3.829   1.971
+ 1200TIP3    H142315  -0.344  -3.797   1.921
+ 1200TIP3    H242316  -0.237  -3.907   1.921
+ 1200TIP3   OH242317   0.100  -3.789   1.738
+ 1200TIP3    H142318   0.197  -3.783   1.739
+ 1200TIP3    H242319   0.074  -3.734   1.662
+ 1200TIP3   OH242320   0.716  -4.036   2.403
+ 1200TIP3    H142321   0.651  -4.033   2.477
+ 1200TIP3    H242322   0.656  -4.062   2.330
+ 1200TIP3   OH242323  -0.051  -3.674   1.513
+ 1200TIP3    H142324  -0.111  -3.695   1.439
+ 1200TIP3    H242325   0.029  -3.648   1.464
+ 1200TIP3   OH242326   1.021  -2.458   3.067
+ 1200TIP3    H142327   1.041  -2.411   2.985
+ 1200TIP3    H242328   1.089  -2.425   3.127
+ 1200TIP3   OH242329  -0.190  -3.197   3.008
+ 1200TIP3    H142330  -0.121  -3.187   3.077
+ 1200TIP3    H242331  -0.269  -3.191   3.065
+ 1200TIP3   OH242332   0.381  -3.697   2.281
+ 1200TIP3    H142333   0.457  -3.734   2.235
+ 1200TIP3    H242334   0.370  -3.758   2.356
+ 1200TIP3   OH242335  -0.104  -4.065   1.908
+ 1200TIP3    H142336  -0.149  -4.151   1.917
+ 1200TIP3    H242337  -0.022  -4.090   1.863
+ 1201TIP3   OH242338   0.277  -3.853   2.511
+ 1201TIP3    H142339   0.205  -3.787   2.505
+ 1201TIP3    H242340   0.328  -3.823   2.589
+ 1201TIP3   OH242341   0.294  -3.210   1.697
+ 1201TIP3    H142342   0.218  -3.260   1.661
+ 1201TIP3    H242343   0.274  -3.206   1.793
+ 1201TIP3   OH242344   1.015  -3.294   2.570
+ 1201TIP3    H142345   1.066  -3.239   2.506
+ 1201TIP3    H242346   0.930  -3.304   2.523
+ 1201TIP3   OH242347   0.710  -3.933   1.460
+ 1201TIP3    H142348   0.612  -3.938   1.461
+ 1201TIP3    H242349   0.729  -3.862   1.525
+ 1201TIP3   OH242350   0.454  -3.211   2.829
+ 1201TIP3    H142351   0.428  -3.238   2.918
+ 1201TIP3    H242352   0.428  -3.117   2.828
+ 1201TIP3   OH242353   0.775  -3.749   1.674
+ 1201TIP3    H142354   0.863  -3.762   1.716
+ 1201TIP3    H242355   0.784  -3.660   1.635
+ 1201TIP3   OH242356  -0.193  -3.274   2.281
+ 1201TIP3    H142357  -0.140  -3.279   2.199
+ 1201TIP3    H242358  -0.178  -3.362   2.319
+ 1201TIP3   OH242359   0.533  -3.073   1.590
+ 1201TIP3    H142360   0.507  -2.987   1.628
+ 1201TIP3    H242361   0.457  -3.128   1.617
+ 1201TIP3   OH242362  -0.463  -3.446   2.804
+ 1201TIP3    H142363  -0.451  -3.488   2.892
+ 1201TIP3    H242364  -0.534  -3.498   2.763
+ 1201TIP3   OH242365   0.229  -3.496   3.002
+ 1201TIP3    H142366   0.201  -3.514   2.911
+ 1201TIP3    H242367   0.324  -3.519   2.996
+ 1202TIP3   OH242368   0.683  -2.954   2.777
+ 1202TIP3    H142369   0.587  -2.941   2.770
+ 1202TIP3    H242370   0.701  -2.924   2.868
+ 1202TIP3   OH242371   1.235  -3.745   1.654
+ 1202TIP3    H142372   1.181  -3.765   1.576
+ 1202TIP3    H242373   1.248  -3.649   1.639
+ 1202TIP3   OH242374   1.283  -3.139   2.933
+ 1202TIP3    H142375   1.189  -3.119   2.914
+ 1202TIP3    H242376   1.316  -3.160   2.843
+ 1202TIP3   OH242377   1.055  -2.884   1.662
+ 1202TIP3    H142378   1.036  -2.961   1.716
+ 1202TIP3    H242379   1.111  -2.919   1.591
+ 1202TIP3   OH242380   0.781  -3.351   2.402
+ 1202TIP3    H142381   0.688  -3.365   2.376
+ 1202TIP3    H242382   0.826  -3.422   2.351
+ 1202TIP3   OH242383   0.044  -2.941   2.005
+ 1202TIP3    H142384   0.086  -2.855   1.992
+ 1202TIP3    H242385  -0.047  -2.921   1.982
+ 1202TIP3   OH242386  -0.354  -3.464   1.468
+ 1202TIP3    H142387  -0.297  -3.394   1.505
+ 1202TIP3    H242388  -0.443  -3.432   1.495
+ 1202TIP3   OH242389   0.228  -3.174   1.967
+ 1202TIP3    H142390   0.200  -3.081   1.980
+ 1202TIP3    H242391   0.155  -3.221   2.010
+ 1202TIP3   OH242392   0.245  -2.748   2.602
+ 1202TIP3    H142393   0.298  -2.672   2.572
+ 1202TIP3    H242394   0.309  -2.794   2.659
+ 1202TIP3   OH242395   0.090  -2.655   1.928
+ 1202TIP3    H142396  -0.006  -2.639   1.934
+ 1202TIP3    H242397   0.125  -2.566   1.949
+ 1203TIP3   OH242398   0.585  -3.173   2.558
+ 1203TIP3    H142399   0.558  -3.199   2.648
+ 1203TIP3    H242400   0.660  -3.232   2.542
+ 1203TIP3   OH242401   0.803  -3.042   1.451
+ 1203TIP3    H142402   0.845  -3.086   1.527
+ 1203TIP3    H242403   0.710  -3.055   1.475
+ 1203TIP3   OH242404   0.880  -2.715   2.797
+ 1203TIP3    H142405   0.804  -2.759   2.755
+ 1203TIP3    H242406   0.891  -2.635   2.743
+ 1203TIP3   OH242407   1.279  -2.612   1.500
+ 1203TIP3    H142408   1.349  -2.547   1.483
+ 1203TIP3    H242409   1.202  -2.552   1.502
+ 1203TIP3   OH242410   0.899  -3.180   1.690
+ 1203TIP3    H142411   0.873  -3.253   1.749
+ 1203TIP3    H242412   0.996  -3.182   1.697
+ 1203TIP3   OH242413  -0.363  -2.797   2.597
+ 1203TIP3    H142414  -0.326  -2.885   2.612
+ 1203TIP3    H242415  -0.336  -2.751   2.677
+ 1203TIP3   OH242416   0.227  -2.936   1.310
+ 1203TIP3    H142417   0.255  -3.014   1.259
+ 1203TIP3    H242418   0.184  -2.977   1.387
+ 1203TIP3   OH242419   0.114  -2.987   1.578
+ 1203TIP3    H142420   0.162  -3.038   1.644
+ 1203TIP3    H242421   0.124  -2.895   1.611
+ 1203TIP3   OH242422  -0.204  -3.241   1.622
+ 1203TIP3    H142423  -0.278  -3.202   1.671
+ 1203TIP3    H242424  -0.159  -3.161   1.589
+ 1203TIP3   OH242425   0.557  -4.009   2.629
+ 1203TIP3    H142426   0.619  -3.978   2.697
+ 1203TIP3    H242427   0.521  -4.091   2.666
+ 1204TIP3   OH242428   0.633  -4.057   1.745
+ 1204TIP3    H142429   0.641  -3.999   1.668
+ 1204TIP3    H242430   0.672  -4.001   1.815
+ 1204TIP3   OH242431   0.408  -2.820   1.645
+ 1204TIP3    H142432   0.322  -2.776   1.660
+ 1204TIP3    H242433   0.437  -2.782   1.562
+ 1204TIP3   OH242434   0.370  -3.854   1.844
+ 1204TIP3    H142435   0.442  -3.789   1.856
+ 1204TIP3    H242436   0.340  -3.866   1.937
+ 1204TIP3   OH242437   0.398  -3.763   2.759
+ 1204TIP3    H142438   0.409  -3.709   2.839
+ 1204TIP3    H242439   0.460  -3.835   2.775
+ 1204TIP3   OH242440   0.444  -4.172   1.949
+ 1204TIP3    H142441   0.403  -4.094   1.992
+ 1204TIP3    H242442   0.496  -4.129   1.879
+ 1204TIP3   OH242443   0.127  -2.720   1.645
+ 1204TIP3    H142444   0.115  -2.638   1.592
+ 1204TIP3    H242445   0.108  -2.686   1.735
+ 1204TIP3   OH242446  -0.006  -4.052   1.597
+ 1204TIP3    H142447  -0.002  -3.967   1.645
+ 1204TIP3    H242448   0.084  -4.086   1.617
+ 1204TIP3   OH242449   1.037  -3.965   2.842
+ 1204TIP3    H142450   0.941  -3.954   2.827
+ 1204TIP3    H242451   1.066  -3.980   2.750
+ 1204TIP3   OH242452   0.882  -3.575   2.250
+ 1204TIP3    H142453   0.801  -3.621   2.221
+ 1204TIP3    H242454   0.931  -3.647   2.295
+ 1204TIP3   OH242455  -0.163  -2.963   1.496
+ 1204TIP3    H142456  -0.092  -2.909   1.535
+ 1204TIP3    H242457  -0.112  -3.010   1.428
+ 1205TIP3   OH242458  -0.350  -3.746   1.409
+ 1205TIP3    H142459  -0.335  -3.651   1.430
+ 1205TIP3    H242460  -0.433  -3.743   1.361
+ 1205TIP3   OH242461   0.984  -2.689   2.388
+ 1205TIP3    H142462   0.965  -2.609   2.336
+ 1205TIP3    H242463   1.077  -2.673   2.411
+ 1205TIP3   OH242464  -0.334  -4.239   2.301
+ 1205TIP3    H142465  -0.294  -4.246   2.213
+ 1205TIP3    H242466  -0.315  -4.328   2.334
+ 1205TIP3   OH242467  -0.372  -2.896   1.912
+ 1205TIP3    H142468  -0.444  -2.837   1.940
+ 1205TIP3    H242469  -0.323  -2.838   1.851
+ 1205TIP3   OH242470  -0.425  -2.599   3.029
+ 1205TIP3    H142471  -0.368  -2.627   3.103
+ 1205TIP3    H242472  -0.465  -2.683   3.000
+ 1205TIP3   OH242473   0.039  -2.695   3.208
+ 1205TIP3    H142474   0.112  -2.755   3.228
+ 1205TIP3    H242475   0.021  -2.718   3.116
+ 1205TIP3   OH242476   0.449  -2.768   1.366
+ 1205TIP3    H142477   0.373  -2.828   1.348
+ 1205TIP3    H242478   0.519  -2.817   1.321
+ 1205TIP3   OH242479   0.692  -2.865   3.064
+ 1205TIP3    H142480   0.653  -2.946   3.102
+ 1205TIP3    H242481   0.760  -2.842   3.129
+ 1205TIP3   OH242482   0.911  -2.774   1.371
+ 1205TIP3    H142483   0.927  -2.856   1.420
+ 1205TIP3    H242484   0.989  -2.770   1.312
+ 1205TIP3   OH242485  -0.431  -3.234   3.142
+ 1205TIP3    H142486  -0.418  -3.323   3.105
+ 1205TIP3    H242487  -0.507  -3.203   3.089
+ 1206TIP3   OH242488  -0.009  -3.193   1.342
+ 1206TIP3    H142489   0.009  -3.252   1.417
+ 1206TIP3    H242490   0.077  -3.195   1.295
+ 1206TIP3   OH242491   0.232  -3.216   3.075
+ 1206TIP3    H142492   0.203  -3.181   2.989
+ 1206TIP3    H242493   0.239  -3.312   3.058
+ 1206TIP3   OH242494   0.515  -3.061   1.304
+ 1206TIP3    H142495   0.510  -3.065   1.400
+ 1206TIP3    H242496   0.510  -3.156   1.282
+ 1206TIP3   OH242497   0.770  -3.253   2.813
+ 1206TIP3    H142498   0.849  -3.201   2.793
+ 1206TIP3    H242499   0.701  -3.184   2.812
+ 1206TIP3   OH242500  -0.341  -3.526   3.057
+ 1206TIP3    H142501  -0.263  -3.583   3.063
+ 1206TIP3    H242502  -0.349  -3.498   3.150
+ 1206TIP3   OH242503   0.101  -3.385   1.577
+ 1206TIP3    H142504   0.039  -3.437   1.630
+ 1206TIP3    H242505   0.131  -3.453   1.512
+ 1206TIP3   OH242506   0.013  -3.611   2.792
+ 1206TIP3    H142507  -0.033  -3.530   2.820
+ 1206TIP3    H242508   0.086  -3.575   2.739
+ 1206TIP3   OH242509   0.194  -3.584   1.401
+ 1206TIP3    H142510   0.190  -3.575   1.304
+ 1206TIP3    H242511   0.290  -3.587   1.416
+ 1206TIP3   OH242512   0.551  -3.339   3.156
+ 1206TIP3    H142513   0.642  -3.355   3.126
+ 1206TIP3    H242514   0.529  -3.422   3.199
+ 1206TIP3   OH242515   1.147  -3.332   1.334
+ 1206TIP3    H142516   1.137  -3.374   1.247
+ 1206TIP3    H242517   1.136  -3.237   1.311
+ 1207TIP3   OH242518   0.068  -3.882   2.910
+ 1207TIP3    H142519   0.090  -3.945   2.839
+ 1207TIP3    H242520   0.062  -3.798   2.862
+ 1207TIP3   OH242521   0.118  -4.036   2.655
+ 1207TIP3    H142522   0.172  -3.981   2.594
+ 1207TIP3    H242523   0.027  -4.023   2.620
+ 1207TIP3   OH242524   0.267  -3.489   2.701
+ 1207TIP3    H142525   0.352  -3.496   2.654
+ 1207TIP3    H242526   0.237  -3.401   2.670
+ 1207TIP3   OH242527   0.725  -3.693   3.176
+ 1207TIP3    H142528   0.747  -3.786   3.197
+ 1207TIP3    H242529   0.814  -3.653   3.173
+ 1207TIP3   OH242530   0.824  -3.416   3.026
+ 1207TIP3    H142531   0.789  -3.353   2.959
+ 1207TIP3    H242532   0.915  -3.428   2.992
+ 1207TIP3   OH242533  -0.104  -3.704   3.096
+ 1207TIP3    H142534  -0.164  -3.780   3.086
+ 1207TIP3    H242535  -0.025  -3.734   3.049
+ 1207TIP3   OH242536   0.167  -4.276   2.774
+ 1207TIP3    H142537   0.178  -4.185   2.741
+ 1207TIP3    H242538   0.076  -4.292   2.748
+ 1207TIP3   OH242539   0.315  -3.844   3.072
+ 1207TIP3    H142540   0.287  -3.872   3.161
+ 1207TIP3    H242541   0.233  -3.865   3.023
+ 1207TIP3   OH242542   0.572  -3.947   2.969
+ 1207TIP3    H142543   0.484  -3.931   3.007
+ 1207TIP3    H242544   0.611  -4.010   3.033
+ 1207TIP3   OH242545   0.745  -4.138   3.137
+ 1207TIP3    H142546   0.732  -4.225   3.178
+ 1207TIP3    H242547   0.733  -4.077   3.212
+ 1208TIP3   OH242548  -0.271  -3.933   3.045
+ 1208TIP3    H142549  -0.270  -4.021   3.003
+ 1208TIP3    H242550  -0.296  -3.956   3.136
+ 1208TIP3   OH242551   0.278  -4.146   3.181
+ 1208TIP3    H142552   0.255  -4.229   3.135
+ 1208TIP3    H242553   0.192  -4.101   3.189
+ 1208TIP3   OH242554   0.170  -2.467   1.529
+ 1208TIP3    H142555   0.264  -2.467   1.513
+ 1208TIP3    H242556   0.135  -2.424   1.450
+ 1208TIP3   OH242557  -0.437  -3.023   1.469
+ 1208TIP3    H142558  -0.342  -3.000   1.478
+ 1208TIP3    H242559  -0.434  -3.097   1.405
+ 1208TIP3   OH242560  -0.526  -2.502   1.937
+ 1208TIP3    H142561  -0.601  -2.534   1.885
+ 1208TIP3    H242562  -0.521  -2.567   2.010
+ 1208TIP3   OH242563  -0.493  -2.696   2.140
+ 1208TIP3    H142564  -0.519  -2.781   2.178
+ 1208TIP3    H242565  -0.465  -2.648   2.220
+ 1208TIP3   OH242566   1.256  -2.573   2.438
+ 1208TIP3    H142567   1.272  -2.574   2.533
+ 1208TIP3    H242568   1.340  -2.542   2.404
+ 1208TIP3   OH242569   1.246  -2.628   2.725
+ 1208TIP3    H142570   1.194  -2.702   2.689
+ 1208TIP3    H242571   1.301  -2.675   2.789
+ 1208TIP3   OH242572   1.045  -3.086   3.156
+ 1208TIP3    H142573   0.956  -3.076   3.194
+ 1208TIP3    H242574   1.090  -3.005   3.184
+ 1208TIP3   OH242575   1.185  -3.195   1.728
+ 1208TIP3    H142576   1.276  -3.162   1.743
+ 1208TIP3    H242577   1.178  -3.258   1.801
+ 1209TIP3   OH242578   1.236  -3.399   1.929
+ 1209TIP3    H142579   1.166  -3.455   1.969
+ 1209TIP3    H242580   1.302  -3.391   2.000
+ 1209TIP3   OH242581   1.203  -3.149   2.424
+ 1209TIP3    H142582   1.265  -3.199   2.368
+ 1209TIP3    H242583   1.217  -3.058   2.392
+ 1209TIP3   OH242584   1.075  -2.858   2.648
+ 1209TIP3    H142585   1.002  -2.816   2.697
+ 1209TIP3    H242586   1.030  -2.893   2.569
+ 1209TIP3   OH242587   1.255  -3.455   1.584
+ 1209TIP3    H142588   1.206  -3.426   1.505
+ 1209TIP3    H242589   1.244  -3.378   1.642
+ 1209TIP3   OH242590   1.083  -3.699   1.409
+ 1209TIP3    H142591   1.111  -3.638   1.339
+ 1209TIP3    H242592   1.059  -3.779   1.359
+ 1209TIP3   OH242593   1.024  -3.583   2.006
+ 1209TIP3    H142594   1.018  -3.678   1.988
+ 1209TIP3    H242595   0.987  -3.576   2.097
+ 1209TIP3   OH242596  -0.490  -3.370   2.376
+ 1209TIP3    H142597  -0.467  -3.358   2.282
+ 1209TIP3    H242598  -0.401  -3.385   2.414
+ 1209TIP3   OH242599   1.086  -3.394   2.926
+ 1209TIP3    H142600   1.162  -3.454   2.936
+ 1209TIP3    H242601   1.128  -3.311   2.900
+ 1209TIP3   OH242602   1.242  -3.589   3.048
+ 1209TIP3    H142603   1.163  -3.638   3.020
+ 1209TIP3    H242604   1.312  -3.656   3.037
+ 1209TIP3   OH242605   1.025  -3.968   1.326
+ 1209TIP3    H142606   1.086  -4.012   1.388
+ 1209TIP3    H242607   0.944  -4.020   1.336
+ 1210TIP3   OH242608   1.008  -3.827   1.827
+ 1210TIP3    H142609   1.025  -3.924   1.832
+ 1210TIP3    H242610   1.089  -3.797   1.784
+ 1210TIP3   OH242611   1.035  -3.777   2.366
+ 1210TIP3    H142612   1.132  -3.765   2.360
+ 1210TIP3    H242613   1.024  -3.774   2.463
+ 1210TIP3   OH242614   1.049  -3.705   2.652
+ 1210TIP3    H142615   0.965  -3.662   2.677
+ 1210TIP3    H242616   1.105  -3.629   2.629
+ 1210TIP3   OH242617   1.268  -4.277   3.230
+ 1210TIP3    H142618   1.310  -4.359   3.206
+ 1210TIP3    H242619   1.266  -4.220   3.150
+ 1210TIP3   OH242620   1.037  -4.098   1.835
+ 1210TIP3    H142621   1.066  -4.149   1.912
+ 1210TIP3    H242622   0.977  -4.162   1.792
+ 1210TIP3   OH242623  -0.434  -3.990   2.306
+ 1210TIP3    H142624  -0.402  -4.083   2.308
+ 1210TIP3    H242625  -0.353  -3.942   2.331
+ 1210TIP3   OH242626  -0.561  -3.733   2.418
+ 1210TIP3    H142627  -0.511  -3.740   2.335
+ 1210TIP3    H242628  -0.532  -3.646   2.448
+ 1210TIP3   OH242629   1.242  -4.113   3.015
+ 1210TIP3    H142630   1.158  -4.064   3.021
+ 1210TIP3    H242631   1.237  -4.142   2.922
+ 1210TIP3   OH242632   1.250  -4.057   1.492
+ 1210TIP3    H142633   1.270  -4.143   1.450
+ 1210TIP3    H242634   1.337  -4.015   1.498
+ 1210TIP3   OH242635  -0.515  -4.101   1.807
+ 1210TIP3    H142636  -0.610  -4.093   1.786
+ 1210TIP3    H242637  -0.475  -4.033   1.748
+ 1211TIP3   OH242638   0.943  -2.568   2.018
+ 1211TIP3    H142639   0.991  -2.592   1.936
+ 1211TIP3    H242640   1.014  -2.530   2.072
+ 1211TIP3   OH242641  -0.532  -4.121   2.667
+ 1211TIP3    H142642  -0.522  -4.216   2.689
+ 1211TIP3    H242643  -0.552  -4.128   2.572
+ 1211TIP3   OH242644  -0.317  -2.907   3.091
+ 1211TIP3    H142645  -0.389  -2.897   3.026
+ 1211TIP3    H242646  -0.362  -2.895   3.175
+ 1211TIP3   OH242647  -0.030  -2.799   2.659
+ 1211TIP3    H142648  -0.062  -2.714   2.624
+ 1211TIP3    H242649   0.065  -2.789   2.640
+ 1211TIP3   OH242650   0.420  -2.670   2.958
+ 1211TIP3    H142651   0.435  -2.684   3.053
+ 1211TIP3    H242652   0.502  -2.622   2.932
+ 1211TIP3   OH242653   0.648  -2.523   2.882
+ 1211TIP3    H142654   0.717  -2.587   2.861
+ 1211TIP3    H242655   0.678  -2.491   2.970
+ 1211TIP3   OH242656   1.111  -4.276   2.794
+ 1211TIP3    H142657   1.056  -4.217   2.739
+ 1211TIP3    H242658   1.124  -4.351   2.733
+ 1211TIP3   OH242659  -0.295  -2.506   2.694
+ 1211TIP3    H142660  -0.349  -2.441   2.645
+ 1211TIP3    H242661  -0.333  -2.494   2.782
+ 1211TIP3   OH242662  -0.039  -2.526   2.550
+ 1211TIP3    H142663  -0.125  -2.505   2.592
+ 1211TIP3    H242664  -0.039  -2.465   2.474
+ 1211TIP3   OH242665   0.430  -2.525   2.500
+ 1211TIP3    H142666   0.387  -2.481   2.424
+ 1211TIP3    H242667   0.438  -2.451   2.563
+ 1212TIP3   OH242668   0.662  -2.654   2.594
+ 1212TIP3    H142669   0.578  -2.618   2.560
+ 1212TIP3    H242670   0.719  -2.576   2.591
+ 1212TIP3   OH242671   0.918  -2.481   2.613
+ 1212TIP3    H142672   0.911  -2.386   2.591
+ 1212TIP3    H242673   0.945  -2.517   2.526
+ 1212TIP3   OH242674  -0.336  -2.591   2.373
+ 1212TIP3    H142675  -0.330  -2.638   2.457
+ 1212TIP3    H242676  -0.258  -2.624   2.325
+ 1212TIP3   OH242677  -0.138  -2.746   2.229
+ 1212TIP3    H142678  -0.154  -2.838   2.258
+ 1212TIP3    H242679  -0.047  -2.730   2.259
+ 1212TIP3   OH242680   0.141  -2.699   2.317
+ 1212TIP3    H142681   0.161  -2.792   2.294
+ 1212TIP3    H242682   0.146  -2.702   2.413
+ 1212TIP3   OH242683   0.475  -4.113   2.252
+ 1212TIP3    H142684   0.410  -4.182   2.274
+ 1212TIP3    H242685   0.527  -4.155   2.182
+ 1212TIP3   OH242686   0.981  -4.330   2.292
+ 1212TIP3    H142687   1.055  -4.297   2.238
+ 1212TIP3    H242688   0.905  -4.295   2.244
+ 1212TIP3   OH242689   1.190  -4.223   2.072
+ 1212TIP3    H142690   1.253  -4.247   2.003
+ 1212TIP3    H242691   1.216  -4.130   2.089
+ 1212TIP3   OH242692  -0.294  -4.282   1.981
+ 1212TIP3    H142693  -0.385  -4.302   1.957
+ 1212TIP3    H242694  -0.261  -4.367   2.012
+ 1212TIP3   OH242695  -0.435  -4.291   1.604
+ 1212TIP3    H142696  -0.389  -4.244   1.531
+ 1212TIP3    H242697  -0.472  -4.216   1.653
+ 1213TIP3   OH242698   0.158  -4.222   2.016
+ 1213TIP3    H142699   0.246  -4.237   1.979
+ 1213TIP3    H242700   0.138  -4.303   2.064
+ 1213TIP3   OH242701   0.720  -4.270   2.144
+ 1213TIP3    H142702   0.747  -4.251   2.054
+ 1213TIP3    H242703   0.700  -4.365   2.142
+ 1213TIP3   OH242704   0.817  -4.273   1.745
+ 1213TIP3    H142705   0.746  -4.213   1.717
+ 1213TIP3    H242706   0.781  -4.360   1.728
+ 1213TIP3   OH242707  -0.393  -2.697   1.707
+ 1213TIP3    H142708  -0.456  -2.703   1.633
+ 1213TIP3    H242709  -0.390  -2.601   1.719
+ 1213TIP3   OH242710  -0.244  -4.129   1.448
+ 1213TIP3    H142711  -0.174  -4.160   1.388
+ 1213TIP3    H242712  -0.191  -4.074   1.510
+ 1213TIP3   OH242713   0.278  -4.061   1.676
+ 1213TIP3    H142714   0.287  -4.143   1.728
+ 1213TIP3    H242715   0.301  -3.991   1.740
+ 1213TIP3   OH242716   0.486  -2.500   1.504
+ 1213TIP3    H142717   0.581  -2.526   1.515
+ 1213TIP3    H242718   0.457  -2.578   1.452
+ 1213TIP3   OH242719   1.128  -2.610   1.776
+ 1213TIP3    H142720   1.104  -2.694   1.732
+ 1213TIP3    H242721   1.123  -2.548   1.702
+ 1213TIP3   OH242722  -0.338  -4.177   2.918
+ 1213TIP3    H142723  -0.374  -4.256   2.961
+ 1213TIP3    H242724  -0.250  -4.211   2.896
+ 1213TIP3   OH242725  -0.038  -4.280   3.187
+ 1213TIP3    H142726   0.050  -4.306   3.151
+ 1213TIP3    H242727  -0.058  -4.356   3.243
+ 1214TIP3   OH242728  -0.252  -2.609   1.387
+ 1214TIP3    H142729  -0.274  -2.568   1.473
+ 1214TIP3    H242730  -0.169  -2.656   1.406
+ 1214TIP3   OH242731   1.077  -2.734   3.016
+ 1214TIP3    H142732   1.003  -2.753   2.955
+ 1214TIP3    H242733   1.059  -2.640   3.036
+ 1214TIP3   OH242734   2.497  -3.366   2.031
+ 1214TIP3    H142735   2.496  -3.269   2.039
+ 1214TIP3    H242736   2.420  -3.381   1.974
+ 1214TIP3   OH242737   2.387  -3.425   2.339
+ 1214TIP3    H142738   2.376  -3.490   2.409
+ 1214TIP3    H242739   2.355  -3.476   2.263
+ 1214TIP3   OH242740   1.620  -3.457   2.511
+ 1214TIP3    H142741   1.629  -3.545   2.554
+ 1214TIP3    H242742   1.704  -3.416   2.538
+ 1214TIP3   OH242743   2.751  -3.148   2.169
+ 1214TIP3    H142744   2.712  -3.218   2.222
+ 1214TIP3    H242745   2.778  -3.085   2.238
+ 1214TIP3   OH242746   1.695  -3.002   2.355
+ 1214TIP3    H142747   1.673  -3.094   2.330
+ 1214TIP3    H242748   1.789  -3.013   2.376
+ 1214TIP3   OH242749   1.387  -3.664   1.892
+ 1214TIP3    H142750   1.352  -3.574   1.901
+ 1214TIP3    H242751   1.315  -3.707   1.844
+ 1214TIP3   OH242752   1.483  -3.432   2.096
+ 1214TIP3    H142753   1.502  -3.516   2.141
+ 1214TIP3    H242754   1.561  -3.423   2.039
+ 1214TIP3   OH242755   2.456  -2.612   2.225
+ 1214TIP3    H142756   2.515  -2.684   2.194
+ 1214TIP3    H242757   2.428  -2.646   2.311
+ 1215TIP3   OH242758   2.232  -3.171   2.397
+ 1215TIP3    H142759   2.263  -3.240   2.336
+ 1215TIP3    H242760   2.315  -3.156   2.446
+ 1215TIP3   OH242761   3.086  -4.017   2.449
+ 1215TIP3    H142762   3.121  -3.972   2.527
+ 1215TIP3    H242763   3.151  -3.989   2.382
+ 1215TIP3   OH242764   2.559  -3.741   2.445
+ 1215TIP3    H142765   2.577  -3.836   2.443
+ 1215TIP3    H242766   2.549  -3.722   2.351
+ 1215TIP3   OH242767   2.646  -3.922   1.988
+ 1215TIP3    H142768   2.708  -3.965   2.051
+ 1215TIP3    H242769   2.707  -3.877   1.928
+ 1215TIP3   OH242770   1.561  -3.691   2.228
+ 1215TIP3    H142771   1.637  -3.731   2.274
+ 1215TIP3    H242772   1.569  -3.734   2.141
+ 1215TIP3   OH242773   2.059  -3.523   2.151
+ 1215TIP3    H142774   2.128  -3.579   2.191
+ 1215TIP3    H242775   2.008  -3.590   2.099
+ 1215TIP3   OH242776   3.179  -3.842   2.724
+ 1215TIP3    H142777   3.105  -3.796   2.682
+ 1215TIP3    H242778   3.133  -3.899   2.787
+ 1215TIP3   OH242779   2.489  -3.080   1.908
+ 1215TIP3    H142780   2.455  -3.105   1.821
+ 1215TIP3    H242781   2.441  -2.997   1.926
+ 1215TIP3   OH242782   2.032  -3.272   2.583
+ 1215TIP3    H142783   1.957  -3.214   2.604
+ 1215TIP3    H242784   2.091  -3.212   2.533
+ 1215TIP3   OH242785   2.835  -4.015   2.190
+ 1215TIP3    H142786   2.785  -4.061   2.258
+ 1215TIP3    H242787   2.885  -3.950   2.244
+ 1216TIP3   OH242788   1.831  -3.082   2.655
+ 1216TIP3    H142789   1.827  -2.990   2.622
+ 1216TIP3    H242790   1.743  -3.089   2.697
+ 1216TIP3   OH242791   1.460  -3.112   1.742
+ 1216TIP3    H142792   1.443  -3.062   1.660
+ 1216TIP3    H242793   1.478  -3.041   1.807
+ 1216TIP3   OH242794   2.806  -2.968   2.417
+ 1216TIP3    H142795   2.710  -2.955   2.420
+ 1216TIP3    H242796   2.835  -2.881   2.383
+ 1216TIP3   OH242797   2.849  -4.107   2.593
+ 1216TIP3    H142798   2.768  -4.078   2.548
+ 1216TIP3    H242799   2.914  -4.097   2.522
+ 1216TIP3   OH242800   2.137  -4.306   2.317
+ 1216TIP3    H142801   2.133  -4.400   2.298
+ 1216TIP3    H242802   2.044  -4.277   2.318
+ 1216TIP3   OH242803   2.638  -2.775   2.078
+ 1216TIP3    H142804   2.686  -2.853   2.044
+ 1216TIP3    H242805   2.703  -2.704   2.063
+ 1216TIP3   OH242806   2.783  -2.988   1.936
+ 1216TIP3    H142807   2.728  -3.033   1.870
+ 1216TIP3    H242808   2.777  -3.051   2.010
+ 1216TIP3   OH242809   2.925  -3.109   2.785
+ 1216TIP3    H142810   2.921  -3.167   2.707
+ 1216TIP3    H242811   2.940  -3.022   2.744
+ 1216TIP3   OH242812   2.362  -3.415   1.757
+ 1216TIP3    H142813   2.295  -3.355   1.719
+ 1216TIP3    H242814   2.432  -3.410   1.690
+ 1216TIP3   OH242815   2.390  -3.595   1.461
+ 1216TIP3    H142816   2.460  -3.565   1.522
+ 1216TIP3    H242817   2.441  -3.653   1.403
+ 1217TIP3   OH242818   3.109  -3.489   2.579
+ 1217TIP3    H142819   3.038  -3.421   2.582
+ 1217TIP3    H242820   3.160  -3.457   2.502
+ 1217TIP3   OH242821   2.713  -3.414   1.863
+ 1217TIP3    H142822   2.644  -3.392   1.930
+ 1217TIP3    H242823   2.772  -3.471   1.916
+ 1217TIP3   OH242824   2.704  -3.530   2.811
+ 1217TIP3    H142825   2.691  -3.432   2.821
+ 1217TIP3    H242826   2.642  -3.541   2.736
+ 1217TIP3   OH242827   1.872  -3.339   2.041
+ 1217TIP3    H142828   1.840  -3.383   1.960
+ 1217TIP3    H242829   1.937  -3.404   2.074
+ 1217TIP3   OH242830   2.010  -2.996   2.315
+ 1217TIP3    H142831   1.997  -3.037   2.228
+ 1217TIP3    H242832   2.089  -3.043   2.348
+ 1217TIP3   OH242833   1.933  -3.487   2.411
+ 1217TIP3    H142834   1.975  -3.481   2.324
+ 1217TIP3    H242835   1.963  -3.408   2.457
+ 1217TIP3   OH242836   2.523  -2.904   2.449
+ 1217TIP3    H142837   2.530  -2.835   2.518
+ 1217TIP3    H242838   2.504  -2.985   2.498
+ 1217TIP3   OH242839   2.014  -3.027   2.876
+ 1217TIP3    H142840   1.963  -2.957   2.921
+ 1217TIP3    H242841   1.953  -3.053   2.805
+ 1217TIP3   OH242842   2.609  -3.472   1.609
+ 1217TIP3    H142843   2.656  -3.443   1.691
+ 1217TIP3    H242844   2.658  -3.420   1.541
+ 1217TIP3   OH242845   1.717  -3.389   2.792
+ 1217TIP3    H142846   1.712  -3.329   2.868
+ 1217TIP3    H242847   1.623  -3.400   2.768
+ 1218TIP3   OH242848   2.355  -2.810   1.966
+ 1218TIP3    H142849   2.400  -2.779   2.046
+ 1218TIP3    H242850   2.305  -2.732   1.938
+ 1218TIP3   OH242851   1.827  -2.808   2.955
+ 1218TIP3    H142852   1.815  -2.802   2.858
+ 1218TIP3    H242853   1.738  -2.833   2.986
+ 1218TIP3   OH242854   2.930  -4.325   1.532
+ 1218TIP3    H142855   2.882  -4.323   1.617
+ 1218TIP3    H242856   3.005  -4.268   1.553
+ 1218TIP3   OH242857   1.766  -3.462   1.797
+ 1218TIP3    H142858   1.742  -3.389   1.736
+ 1218TIP3    H242859   1.705  -3.532   1.771
+ 1218TIP3   OH242860   3.090  -2.882   1.412
+ 1218TIP3    H142861   3.105  -2.789   1.436
+ 1218TIP3    H242862   3.177  -2.923   1.432
+ 1218TIP3   OH242863   1.370  -3.195   2.667
+ 1218TIP3    H142864   1.328  -3.196   2.579
+ 1218TIP3    H242865   1.385  -3.290   2.684
+ 1218TIP3   OH242866   1.376  -2.903   2.359
+ 1218TIP3    H142867   1.468  -2.933   2.365
+ 1218TIP3    H242868   1.371  -2.843   2.435
+ 1218TIP3   OH242869   3.200  -2.858   2.936
+ 1218TIP3    H142870   3.184  -2.954   2.927
+ 1218TIP3    H242871   3.112  -2.826   2.964
+ 1218TIP3   OH242872   2.279  -2.921   2.817
+ 1218TIP3    H142873   2.288  -2.838   2.868
+ 1218TIP3    H242874   2.188  -2.948   2.840
+ 1218TIP3   OH242875   2.309  -2.538   1.815
+ 1218TIP3    H142876   2.307  -2.530   1.718
+ 1218TIP3    H242877   2.313  -2.446   1.844
+ 1219TIP3   OH242878   1.689  -2.624   1.977
+ 1219TIP3    H142879   1.703  -2.670   2.062
+ 1219TIP3    H242880   1.606  -2.664   1.947
+ 1219TIP3   OH242881   2.640  -2.595   1.533
+ 1219TIP3    H142882   2.695  -2.662   1.488
+ 1219TIP3    H242883   2.632  -2.634   1.623
+ 1219TIP3   OH242884   2.577  -2.653   1.814
+ 1219TIP3    H142885   2.482  -2.640   1.826
+ 1219TIP3    H242886   2.592  -2.726   1.876
+ 1219TIP3   OH242887   1.589  -3.041   2.792
+ 1219TIP3    H142888   1.617  -3.089   2.872
+ 1219TIP3    H242889   1.516  -3.095   2.758
+ 1219TIP3   OH242890   2.369  -4.261   2.743
+ 1219TIP3    H142891   2.383  -4.312   2.823
+ 1219TIP3    H242892   2.275  -4.277   2.726
+ 1219TIP3   OH242893   2.662  -3.864   2.784
+ 1219TIP3    H142894   2.603  -3.879   2.860
+ 1219TIP3    H242895   2.655  -3.768   2.770
+ 1219TIP3   OH242896   2.764  -3.362   1.410
+ 1219TIP3    H142897   2.743  -3.379   1.316
+ 1219TIP3    H242898   2.857  -3.337   1.403
+ 1219TIP3   OH242899   2.329  -3.994   1.454
+ 1219TIP3    H142900   2.275  -4.004   1.536
+ 1219TIP3    H242901   2.279  -4.054   1.395
+ 1219TIP3   OH242902   1.897  -3.697   1.995
+ 1219TIP3    H142903   1.808  -3.735   2.008
+ 1219TIP3    H242904   1.923  -3.741   1.913
+ 1219TIP3   OH242905   2.450  -3.651   1.875
+ 1219TIP3    H142906   2.409  -3.569   1.842
+ 1219TIP3    H242907   2.516  -3.669   1.806
+ 1220TIP3   OH242908   2.369  -3.627   3.033
+ 1220TIP3    H142909   2.311  -3.706   3.042
+ 1220TIP3    H242910   2.457  -3.665   3.042
+ 1220TIP3   OH242911   2.541  -3.711   2.152
+ 1220TIP3    H142912   2.507  -3.653   2.080
+ 1220TIP3    H242913   2.558  -3.792   2.100
+ 1220TIP3   OH242914   1.618  -3.691   2.687
+ 1220TIP3    H142915   1.668  -3.676   2.768
+ 1220TIP3    H242916   1.611  -3.788   2.688
+ 1220TIP3   OH242917   1.966  -3.945   1.354
+ 1220TIP3    H142918   1.931  -3.981   1.437
+ 1220TIP3    H242919   1.887  -3.928   1.301
+ 1220TIP3   OH242920   1.312  -3.971   2.067
+ 1220TIP3    H142921   1.376  -3.952   2.138
+ 1220TIP3    H242922   1.369  -3.987   1.991
+ 1220TIP3   OH242923   1.469  -3.912   1.626
+ 1220TIP3    H142924   1.526  -3.862   1.565
+ 1220TIP3    H242925   1.400  -3.845   1.646
+ 1220TIP3   OH242926   2.486  -3.550   2.629
+ 1220TIP3    H142927   2.505  -3.615   2.557
+ 1220TIP3    H242928   2.407  -3.587   2.671
+ 1220TIP3   OH242929   2.130  -3.949   2.105
+ 1220TIP3    H142930   2.036  -3.940   2.128
+ 1220TIP3    H242931   2.169  -3.964   2.192
+ 1220TIP3   OH242932   1.616  -3.826   1.975
+ 1220TIP3    H142933   1.541  -3.799   1.919
+ 1220TIP3    H242934   1.654  -3.904   1.930
+ 1220TIP3   OH242935   1.987  -3.798   1.730
+ 1220TIP3    H142936   2.082  -3.782   1.742
+ 1220TIP3    H242937   1.959  -3.730   1.667
+ 1221TIP3   OH242938   2.599  -4.034   2.401
+ 1221TIP3    H142939   2.533  -4.035   2.473
+ 1221TIP3    H242940   2.544  -4.064   2.327
+ 1221TIP3   OH242941   1.830  -3.668   1.512
+ 1221TIP3    H142942   1.774  -3.696   1.438
+ 1221TIP3    H242943   1.913  -3.649   1.465
+ 1221TIP3   OH242944   1.696  -3.195   3.011
+ 1221TIP3    H142945   1.763  -3.183   3.082
+ 1221TIP3    H242946   1.615  -3.196   3.065
+ 1221TIP3   OH242947   2.272  -3.693   2.288
+ 1221TIP3    H142948   2.337  -3.748   2.241
+ 1221TIP3    H242949   2.239  -3.754   2.357
+ 1221TIP3   OH242950   1.787  -4.053   1.900
+ 1221TIP3    H142951   1.750  -4.135   1.936
+ 1221TIP3    H242952   1.875  -4.080   1.872
+ 1221TIP3   OH242953   2.146  -3.829   2.516
+ 1221TIP3    H142954   2.058  -3.790   2.505
+ 1221TIP3    H242955   2.176  -3.798   2.604
+ 1221TIP3   OH242956   2.178  -3.209   1.696
+ 1221TIP3    H142957   2.102  -3.260   1.661
+ 1221TIP3    H242958   2.159  -3.206   1.793
+ 1221TIP3   OH242959   2.900  -3.298   2.570
+ 1221TIP3    H142960   2.950  -3.242   2.507
+ 1221TIP3    H242961   2.815  -3.307   2.522
+ 1221TIP3   OH242962   2.596  -3.930   1.457
+ 1221TIP3    H142963   2.498  -3.939   1.460
+ 1221TIP3    H242964   2.614  -3.863   1.526
+ 1221TIP3   OH242965   2.355  -3.207   2.834
+ 1221TIP3    H142966   2.308  -3.239   2.912
+ 1221TIP3    H242967   2.318  -3.117   2.824
+ 1222TIP3   OH242968   2.661  -3.749   1.673
+ 1222TIP3    H142969   2.748  -3.762   1.716
+ 1222TIP3    H242970   2.670  -3.660   1.635
+ 1222TIP3   OH242971   1.709  -3.275   2.283
+ 1222TIP3    H142972   1.757  -3.290   2.200
+ 1222TIP3    H242973   1.702  -3.365   2.319
+ 1222TIP3   OH242974   2.419  -3.073   1.589
+ 1222TIP3    H142975   2.393  -2.987   1.628
+ 1222TIP3    H242976   2.343  -3.129   1.616
+ 1222TIP3   OH242977   1.409  -3.439   2.810
+ 1222TIP3    H142978   1.436  -3.490   2.889
+ 1222TIP3    H242979   1.363  -3.505   2.756
+ 1222TIP3   OH242980   2.112  -3.495   3.006
+ 1222TIP3    H142981   2.068  -3.520   2.922
+ 1222TIP3    H242982   2.204  -3.519   2.985
+ 1222TIP3   OH242983   2.572  -2.961   2.777
+ 1222TIP3    H142984   2.476  -2.947   2.770
+ 1222TIP3    H242985   2.591  -2.926   2.865
+ 1222TIP3   OH242986   3.123  -3.746   1.653
+ 1222TIP3    H142987   3.066  -3.765   1.575
+ 1222TIP3    H242988   3.134  -3.650   1.639
+ 1222TIP3   OH242989   3.158  -3.157   2.936
+ 1222TIP3    H142990   3.063  -3.141   2.914
+ 1222TIP3    H242991   3.194  -3.168   2.846
+ 1222TIP3   OH242992   2.943  -2.883   1.663
+ 1222TIP3    H142993   2.919  -2.960   1.717
+ 1222TIP3    H242994   2.996  -2.921   1.592
+ 1222TIP3   OH242995   2.668  -3.351   2.401
+ 1222TIP3    H142996   2.574  -3.365   2.376
+ 1222TIP3    H242997   2.710  -3.423   2.349
+ 1223TIP3   OH242998   1.931  -2.942   2.004
+ 1223TIP3    H142999   1.973  -2.855   1.991
+ 1223TIP3    H243000   1.839  -2.923   1.980
+ 1223TIP3   OH243001   1.530  -3.463   1.465
+ 1223TIP3    H143002   1.588  -3.396   1.505
+ 1223TIP3    H243003   1.442  -3.434   1.498
+ 1223TIP3   OH243004   2.115  -3.172   1.968
+ 1223TIP3    H143005   2.081  -3.082   1.981
+ 1223TIP3    H243006   2.045  -3.225   2.010
+ 1223TIP3   OH243007   2.130  -2.747   2.602
+ 1223TIP3    H143008   2.186  -2.672   2.573
+ 1223TIP3    H243009   2.193  -2.796   2.658
+ 1223TIP3   OH243010   1.975  -2.652   1.928
+ 1223TIP3    H143011   1.879  -2.637   1.934
+ 1223TIP3    H243012   2.010  -2.563   1.949
+ 1223TIP3   OH243013   2.476  -3.176   2.563
+ 1223TIP3    H143014   2.448  -3.199   2.654
+ 1223TIP3    H243015   2.549  -3.238   2.547
+ 1223TIP3   OH243016   2.689  -3.040   1.451
+ 1223TIP3    H143017   2.730  -3.087   1.526
+ 1223TIP3    H243018   2.596  -3.055   1.474
+ 1223TIP3   OH243019   2.769  -2.716   2.800
+ 1223TIP3    H143020   2.693  -2.754   2.752
+ 1223TIP3    H243021   2.784  -2.633   2.749
+ 1223TIP3   OH243022   3.163  -2.615   1.504
+ 1223TIP3    H143023   3.231  -2.550   1.481
+ 1223TIP3    H243024   3.085  -2.557   1.506
+ 1223TIP3   OH243025   1.563  -3.963   2.763
+ 1223TIP3    H143026   1.481  -3.949   2.713
+ 1223TIP3    H243027   1.549  -4.055   2.790
+ 1224TIP3   OH243028   2.785  -3.180   1.689
+ 1224TIP3    H143029   2.757  -3.252   1.748
+ 1224TIP3    H243030   2.882  -3.182   1.699
+ 1224TIP3   OH243031   1.527  -2.803   2.606
+ 1224TIP3    H143032   1.556  -2.894   2.622
+ 1224TIP3    H243033   1.549  -2.762   2.691
+ 1224TIP3   OH243034   2.113  -2.936   1.309
+ 1224TIP3    H143035   2.140  -3.015   1.258
+ 1224TIP3    H243036   2.069  -2.977   1.386
+ 1224TIP3   OH243037   1.997  -2.985   1.579
+ 1224TIP3    H143038   2.048  -3.038   1.643
+ 1224TIP3    H243039   2.011  -2.894   1.612
+ 1224TIP3   OH243040   1.680  -3.241   1.619
+ 1224TIP3    H143041   1.608  -3.203   1.672
+ 1224TIP3    H243042   1.727  -3.161   1.591
+ 1224TIP3   OH243043   2.436  -4.003   2.632
+ 1224TIP3    H143044   2.507  -3.983   2.695
+ 1224TIP3    H243045   2.403  -4.089   2.662
+ 1224TIP3   OH243046   2.526  -4.059   1.744
+ 1224TIP3    H143047   2.524  -3.998   1.669
+ 1224TIP3    H243048   2.555  -4.001   1.816
+ 1224TIP3   OH243049   2.292  -2.821   1.643
+ 1224TIP3    H143050   2.209  -2.773   1.659
+ 1224TIP3    H243051   2.326  -2.776   1.564
+ 1224TIP3   OH243052   2.256  -3.857   1.855
+ 1224TIP3    H143053   2.326  -3.789   1.868
+ 1224TIP3    H243054   2.214  -3.863   1.943
+ 1224TIP3   OH243055   2.273  -3.765   2.762
+ 1224TIP3    H143056   2.297  -3.705   2.833
+ 1224TIP3    H243057   2.341  -3.833   2.761
+ 1225TIP3   OH243058   2.332  -4.168   1.956
+ 1225TIP3    H143059   2.290  -4.089   1.993
+ 1225TIP3    H243060   2.377  -4.130   1.878
+ 1225TIP3   OH243061   2.013  -2.715   1.643
+ 1225TIP3    H143062   2.005  -2.635   1.587
+ 1225TIP3    H243063   1.998  -2.680   1.732
+ 1225TIP3   OH243064   1.874  -4.049   1.602
+ 1225TIP3    H143065   1.878  -3.966   1.653
+ 1225TIP3    H243066   1.959  -4.089   1.627
+ 1225TIP3   OH243067   2.932  -3.964   2.840
+ 1225TIP3    H143068   2.838  -3.940   2.838
+ 1225TIP3    H243069   2.941  -3.993   2.748
+ 1225TIP3   OH243070   2.767  -3.574   2.249
+ 1225TIP3    H143071   2.686  -3.618   2.220
+ 1225TIP3    H243072   2.816  -3.647   2.294
+ 1225TIP3   OH243073   1.723  -2.961   1.496
+ 1225TIP3    H143074   1.797  -2.911   1.535
+ 1225TIP3    H243075   1.772  -3.010   1.428
+ 1225TIP3   OH243076   1.538  -3.745   1.406
+ 1225TIP3    H143077   1.552  -3.651   1.429
+ 1225TIP3    H243078   1.451  -3.743   1.365
+ 1225TIP3   OH243079   2.870  -2.690   2.389
+ 1225TIP3    H143080   2.850  -2.606   2.343
+ 1225TIP3    H243081   2.962  -2.674   2.415
+ 1225TIP3   OH243082   1.600  -4.238   2.323
+ 1225TIP3    H143083   1.642  -4.218   2.238
+ 1225TIP3    H243084   1.582  -4.332   2.315
+ 1225TIP3   OH243085   1.519  -2.889   1.914
+ 1225TIP3    H143086   1.441  -2.837   1.937
+ 1225TIP3    H243087   1.557  -2.837   1.842
+ 1226TIP3   OH243088   1.462  -2.599   3.027
+ 1226TIP3    H143089   1.517  -2.626   3.102
+ 1226TIP3    H243090   1.421  -2.684   3.000
+ 1226TIP3   OH243091   1.925  -2.697   3.209
+ 1226TIP3    H143092   2.000  -2.756   3.225
+ 1226TIP3    H243093   1.905  -2.717   3.116
+ 1226TIP3   OH243094   2.335  -2.767   1.360
+ 1226TIP3    H143095   2.258  -2.827   1.349
+ 1226TIP3    H243096   2.405  -2.822   1.321
+ 1226TIP3   OH243097   2.573  -2.862   3.065
+ 1226TIP3    H143098   2.539  -2.945   3.103
+ 1226TIP3    H243099   2.645  -2.839   3.126
+ 1226TIP3   OH243100   2.798  -2.774   1.370
+ 1226TIP3    H143101   2.810  -2.857   1.420
+ 1226TIP3    H243102   2.876  -2.773   1.312
+ 1226TIP3   OH243103   1.455  -3.236   3.141
+ 1226TIP3    H143104   1.465  -3.326   3.104
+ 1226TIP3    H243105   1.379  -3.204   3.089
+ 1226TIP3   OH243106   1.877  -3.193   1.342
+ 1226TIP3    H143107   1.893  -3.252   1.417
+ 1226TIP3    H243108   1.963  -3.197   1.296
+ 1226TIP3   OH243109   2.122  -3.219   3.072
+ 1226TIP3    H143110   2.087  -3.180   2.990
+ 1226TIP3    H243111   2.120  -3.315   3.054
+ 1226TIP3   OH243112   2.402  -3.060   1.304
+ 1226TIP3    H143113   2.396  -3.065   1.401
+ 1226TIP3    H243114   2.396  -3.155   1.281
+ 1226TIP3   OH243115   2.664  -3.263   2.846
+ 1226TIP3    H143116   2.731  -3.200   2.815
+ 1226TIP3    H243117   2.583  -3.210   2.836
+ 1227TIP3   OH243118   1.541  -3.520   3.057
+ 1227TIP3    H143119   1.612  -3.586   3.057
+ 1227TIP3    H243120   1.535  -3.500   3.152
+ 1227TIP3   OH243121   1.986  -3.385   1.577
+ 1227TIP3    H143122   1.925  -3.436   1.632
+ 1227TIP3    H243123   2.015  -3.453   1.512
+ 1227TIP3   OH243124   1.918  -3.605   2.800
+ 1227TIP3    H143125   1.853  -3.533   2.809
+ 1227TIP3    H243126   1.962  -3.579   2.717
+ 1227TIP3   OH243127   2.080  -3.583   1.401
+ 1227TIP3    H143128   2.076  -3.575   1.304
+ 1227TIP3    H243129   2.176  -3.588   1.416
+ 1227TIP3   OH243130   2.437  -3.331   3.164
+ 1227TIP3    H143131   2.523  -3.334   3.122
+ 1227TIP3    H243132   2.412  -3.424   3.172
+ 1227TIP3   OH243133   3.033  -3.332   1.333
+ 1227TIP3    H143134   3.021  -3.374   1.247
+ 1227TIP3    H243135   3.021  -3.237   1.309
+ 1227TIP3   OH243136   1.969  -3.875   2.913
+ 1227TIP3    H143137   1.965  -3.943   2.844
+ 1227TIP3    H243138   1.949  -3.795   2.861
+ 1227TIP3   OH243139   1.990  -4.041   2.648
+ 1227TIP3    H143140   2.051  -3.988   2.594
+ 1227TIP3    H243141   1.908  -4.023   2.597
+ 1227TIP3   OH243142   2.177  -3.479   2.705
+ 1227TIP3    H143143   2.238  -3.489   2.632
+ 1227TIP3    H243144   2.125  -3.401   2.675
+ 1227TIP3   OH243145   2.657  -3.678   3.171
+ 1227TIP3    H143146   2.628  -3.771   3.169
+ 1227TIP3    H243147   2.745  -3.690   3.213
+ 1228TIP3   OH243148   1.797  -3.700   3.103
+ 1228TIP3    H143149   1.736  -3.775   3.092
+ 1228TIP3    H243150   1.869  -3.726   3.044
+ 1228TIP3   OH243151   2.062  -4.282   2.779
+ 1228TIP3    H143152   2.060  -4.190   2.743
+ 1228TIP3    H243153   1.973  -4.311   2.753
+ 1228TIP3   OH243154   2.200  -3.843   3.075
+ 1228TIP3    H143155   2.159  -3.873   3.158
+ 1228TIP3    H243156   2.125  -3.860   3.014
+ 1228TIP3   OH243157   2.466  -3.934   2.980
+ 1228TIP3    H143158   2.371  -3.934   3.003
+ 1228TIP3    H243159   2.498  -4.010   3.032
+ 1228TIP3   OH243160   2.631  -4.121   3.157
+ 1228TIP3    H143161   2.616  -4.214   3.180
+ 1228TIP3    H243162   2.605  -4.075   3.238
+ 1228TIP3   OH243163   1.663  -3.957   3.076
+ 1228TIP3    H143164   1.638  -4.017   3.003
+ 1228TIP3    H243165   1.621  -4.000   3.152
+ 1228TIP3   OH243166   2.168  -4.142   3.182
+ 1228TIP3    H143167   2.145  -4.226   3.137
+ 1228TIP3    H243168   2.081  -4.098   3.188
+ 1228TIP3   OH243169   2.058  -2.461   1.512
+ 1228TIP3    H143170   2.154  -2.448   1.520
+ 1228TIP3    H243171   2.041  -2.414   1.429
+ 1228TIP3   OH243172   1.448  -3.021   1.467
+ 1228TIP3    H143173   1.544  -3.001   1.478
+ 1228TIP3    H243174   1.451  -3.098   1.407
+ 1228TIP3   OH243175   1.348  -2.501   1.938
+ 1228TIP3    H143176   1.277  -2.538   1.883
+ 1228TIP3    H243177   1.357  -2.570   2.007
+ 1229TIP3   OH243178   1.387  -2.699   2.137
+ 1229TIP3    H143179   1.357  -2.786   2.168
+ 1229TIP3    H243180   1.421  -2.663   2.220
+ 1229TIP3   OH243181   3.141  -2.576   2.441
+ 1229TIP3    H143182   3.149  -2.569   2.538
+ 1229TIP3    H243183   3.228  -2.547   2.413
+ 1229TIP3   OH243184   3.134  -2.617   2.722
+ 1229TIP3    H143185   3.074  -2.690   2.698
+ 1229TIP3    H243186   3.182  -2.655   2.797
+ 1229TIP3   OH243187   2.933  -3.080   3.161
+ 1229TIP3    H143188   2.844  -3.066   3.198
+ 1229TIP3    H243189   2.978  -2.998   3.184
+ 1229TIP3   OH243190   3.071  -3.194   1.727
+ 1229TIP3    H143191   3.162  -3.162   1.744
+ 1229TIP3    H243192   3.062  -3.258   1.800
+ 1229TIP3   OH243193   3.116  -3.398   1.925
+ 1229TIP3    H143194   3.050  -3.455   1.968
+ 1229TIP3    H243195   3.185  -3.387   1.993
+ 1229TIP3   OH243196   3.089  -3.151   2.426
+ 1229TIP3    H143197   3.150  -3.197   2.366
+ 1229TIP3    H243198   3.099  -3.059   2.396
+ 1229TIP3   OH243199   2.961  -2.861   2.651
+ 1229TIP3    H143200   2.889  -2.815   2.698
+ 1229TIP3    H243201   2.916  -2.893   2.570
+ 1229TIP3   OH243202   3.143  -3.454   1.583
+ 1229TIP3    H143203   3.091  -3.426   1.505
+ 1229TIP3    H243204   3.129  -3.379   1.643
+ 1229TIP3   OH243205   2.971  -3.699   1.409
+ 1229TIP3    H143206   2.996  -3.639   1.338
+ 1229TIP3    H243207   2.944  -3.779   1.360
+ 1230TIP3   OH243208   2.912  -3.584   2.008
+ 1230TIP3    H143209   2.903  -3.679   1.988
+ 1230TIP3    H243210   2.872  -3.577   2.096
+ 1230TIP3   OH243211   1.395  -3.361   2.377
+ 1230TIP3    H143212   1.421  -3.364   2.283
+ 1230TIP3    H243213   1.479  -3.385   2.420
+ 1230TIP3   OH243214   3.065  -3.584   3.021
+ 1230TIP3    H143215   3.042  -3.653   2.957
+ 1230TIP3    H243216   3.161  -3.601   3.030
+ 1230TIP3   OH243217   2.911  -3.968   1.326
+ 1230TIP3    H143218   2.969  -4.013   1.390
+ 1230TIP3    H243219   2.829  -4.018   1.334
+ 1230TIP3   OH243220   2.894  -3.827   1.827
+ 1230TIP3    H143221   2.911  -3.924   1.832
+ 1230TIP3    H243222   2.976  -3.797   1.783
+ 1230TIP3   OH243223   2.919  -3.774   2.366
+ 1230TIP3    H143224   3.017  -3.767   2.363
+ 1230TIP3    H243225   2.905  -3.776   2.462
+ 1230TIP3   OH243226   2.933  -3.702   2.657
+ 1230TIP3    H143227   2.851  -3.660   2.687
+ 1230TIP3    H243228   2.985  -3.625   2.626
+ 1230TIP3   OH243229   1.386  -3.836   3.019
+ 1230TIP3    H143230   1.479  -3.860   3.007
+ 1230TIP3    H243231   1.344  -3.923   3.022
+ 1230TIP3   OH243232   3.146  -4.275   3.225
+ 1230TIP3    H143233   3.205  -4.349   3.207
+ 1230TIP3    H243234   3.155  -4.215   3.147
+ 1230TIP3   OH243235   2.923  -4.098   1.834
+ 1230TIP3    H143236   2.945  -4.150   1.913
+ 1230TIP3    H243237   2.861  -4.159   1.789
+ 1231TIP3   OH243238   1.488  -3.991   2.312
+ 1231TIP3    H143239   1.527  -4.081   2.325
+ 1231TIP3    H243240   1.568  -3.940   2.336
+ 1231TIP3   OH243241   1.315  -3.721   2.389
+ 1231TIP3    H143242   1.388  -3.743   2.328
+ 1231TIP3    H243243   1.359  -3.654   2.443
+ 1231TIP3   OH243244   3.131  -4.106   3.010
+ 1231TIP3    H143245   3.045  -4.061   3.010
+ 1231TIP3    H243246   3.127  -4.146   2.921
+ 1231TIP3   OH243247   3.137  -4.059   1.498
+ 1231TIP3    H143248   3.154  -4.143   1.449
+ 1231TIP3    H243249   3.223  -4.014   1.494
+ 1231TIP3   OH243250   1.369  -4.107   1.799
+ 1231TIP3    H143251   1.275  -4.090   1.786
+ 1231TIP3    H243252   1.411  -4.035   1.748
+ 1231TIP3   OH243253   2.829  -2.564   2.016
+ 1231TIP3    H143254   2.877  -2.592   1.937
+ 1231TIP3    H243255   2.899  -2.534   2.074
+ 1231TIP3   OH243256   1.362  -4.149   2.653
+ 1231TIP3    H143257   1.303  -4.219   2.684
+ 1231TIP3    H243258   1.327  -4.128   2.565
+ 1231TIP3   OH243259   1.570  -2.899   3.093
+ 1231TIP3    H143260   1.500  -2.900   3.026
+ 1231TIP3    H243261   1.520  -2.898   3.175
+ 1231TIP3   OH243262   1.854  -2.797   2.658
+ 1231TIP3    H143263   1.823  -2.712   2.622
+ 1231TIP3    H243264   1.950  -2.788   2.640
+ 1231TIP3   OH243265   2.304  -2.669   2.958
+ 1231TIP3    H143266   2.321  -2.684   3.052
+ 1231TIP3    H243267   2.385  -2.622   2.931
+ 1232TIP3   OH243268   2.530  -2.526   2.885
+ 1232TIP3    H143269   2.601  -2.586   2.855
+ 1232TIP3    H243270   2.570  -2.490   2.966
+ 1232TIP3   OH243271   2.992  -4.276   2.804
+ 1232TIP3    H143272   2.941  -4.214   2.748
+ 1232TIP3    H243273   3.013  -4.343   2.738
+ 1232TIP3   OH243274   1.592  -2.502   2.691
+ 1232TIP3    H143275   1.532  -2.440   2.646
+ 1232TIP3    H243276   1.557  -2.499   2.780
+ 1232TIP3   OH243277   1.842  -2.525   2.546
+ 1232TIP3    H143278   1.755  -2.507   2.590
+ 1232TIP3    H243279   1.844  -2.457   2.477
+ 1232TIP3   OH243280   2.317  -2.527   2.502
+ 1232TIP3    H143281   2.279  -2.482   2.425
+ 1232TIP3    H243282   2.326  -2.452   2.565
+ 1232TIP3   OH243283   2.556  -2.650   2.593
+ 1232TIP3    H143284   2.472  -2.614   2.559
+ 1232TIP3    H243285   2.612  -2.571   2.591
+ 1232TIP3   OH243286   2.805  -2.490   2.627
+ 1232TIP3    H143287   2.817  -2.393   2.624
+ 1232TIP3    H243288   2.842  -2.516   2.542
+ 1232TIP3   OH243289   1.550  -2.623   2.385
+ 1232TIP3    H143290   1.548  -2.673   2.470
+ 1232TIP3    H243291   1.625  -2.667   2.341
+ 1232TIP3   OH243292   1.751  -2.747   2.230
+ 1232TIP3    H143293   1.736  -2.841   2.255
+ 1232TIP3    H243294   1.843  -2.733   2.260
+ 1232TIP3   OH243295   2.028  -2.701   2.317
+ 1232TIP3    H143296   2.046  -2.794   2.295
+ 1232TIP3    H243297   2.034  -2.705   2.414
+ 1233TIP3   OH243298   2.357  -4.108   2.251
+ 1233TIP3    H143299   2.288  -4.172   2.277
+ 1233TIP3    H243300   2.405  -4.156   2.182
+ 1233TIP3   OH243301   2.884  -4.328   2.294
+ 1233TIP3    H143302   2.944  -4.289   2.228
+ 1233TIP3    H243303   2.797  -4.306   2.258
+ 1233TIP3   OH243304   3.084  -4.226   2.077
+ 1233TIP3    H143305   3.134  -4.246   1.997
+ 1233TIP3    H243306   3.099  -4.130   2.086
+ 1233TIP3   OH243307   1.590  -4.280   1.976
+ 1233TIP3    H143308   1.500  -4.310   1.959
+ 1233TIP3    H243309   1.632  -4.358   2.014
+ 1233TIP3   OH243310   1.448  -4.291   1.602
+ 1233TIP3    H143311   1.498  -4.243   1.532
+ 1233TIP3    H243312   1.417  -4.217   1.657
+ 1233TIP3   OH243313   2.055  -4.248   1.983
+ 1233TIP3    H143314   2.150  -4.229   1.993
+ 1233TIP3    H243315   2.030  -4.288   2.067
+ 1233TIP3   OH243316   2.607  -4.267   2.145
+ 1233TIP3    H143317   2.627  -4.259   2.052
+ 1233TIP3    H243318   2.582  -4.360   2.155
+ 1233TIP3   OH243319   2.709  -4.273   1.736
+ 1233TIP3    H143320   2.634  -4.212   1.719
+ 1233TIP3    H243321   2.667  -4.359   1.734
+ 1233TIP3   OH243322   1.492  -2.696   1.708
+ 1233TIP3    H143323   1.431  -2.707   1.634
+ 1233TIP3    H243324   1.492  -2.600   1.715
+ 1233TIP3   OH243325   1.644  -4.126   1.447
+ 1233TIP3    H143326   1.715  -4.160   1.390
+ 1233TIP3    H243327   1.696  -4.075   1.513
+ 1234TIP3   OH243328   2.170  -4.059   1.673
+ 1234TIP3    H143329   2.174  -4.146   1.718
+ 1234TIP3    H243330   2.180  -3.994   1.744
+ 1234TIP3   OH243331   2.362  -2.514   1.521
+ 1234TIP3    H143332   2.460  -2.512   1.515
+ 1234TIP3    H243333   2.341  -2.578   1.452
+ 1234TIP3   OH243334   3.014  -2.611   1.778
+ 1234TIP3    H143335   2.989  -2.695   1.735
+ 1234TIP3    H243336   3.006  -2.549   1.703
+ 1234TIP3   OH243337   1.552  -4.180   2.928
+ 1234TIP3    H143338   1.513  -4.259   2.968
+ 1234TIP3    H243339   1.641  -4.214   2.909
+ 1234TIP3   OH243340   1.849  -4.278   3.190
+ 1234TIP3    H143341   1.935  -4.306   3.151
+ 1234TIP3    H243342   1.823  -4.358   3.237
+ 1234TIP3   OH243343   1.636  -2.605   1.388
+ 1234TIP3    H143344   1.615  -2.572   1.476
+ 1234TIP3    H243345   1.716  -2.657   1.402
+ 1234TIP3   OH243346   2.961  -2.718   3.026
+ 1234TIP3    H143347   2.891  -2.728   2.960
+ 1234TIP3    H243348   2.977  -2.622   3.025
+ 1234TIP3   OH243349   4.213  -3.458   2.344
+ 1234TIP3    H143350   4.291  -3.430   2.395
+ 1234TIP3    H243351   4.248  -3.459   2.254
+ 1234TIP3   OH243352   3.514  -3.464   2.505
+ 1234TIP3    H143353   3.515  -3.539   2.567
+ 1234TIP3    H243354   3.588  -3.410   2.539
+ 1234TIP3   OH243355   3.582  -2.999   2.352
+ 1234TIP3    H143356   3.557  -3.091   2.328
+ 1234TIP3    H243357   3.674  -3.013   2.377
+ 1235TIP3   OH243358   3.279  -3.662   1.893
+ 1235TIP3    H143359   3.241  -3.573   1.901
+ 1235TIP3    H243360   3.207  -3.710   1.852
+ 1235TIP3   OH243361   3.361  -3.414   2.078
+ 1235TIP3    H143362   3.375  -3.497   2.127
+ 1235TIP3    H243363   3.445  -3.404   2.031
+ 1235TIP3   OH243364   4.120  -3.171   2.404
+ 1235TIP3    H143365   4.146  -3.245   2.347
+ 1235TIP3    H243366   4.204  -3.151   2.447
+ 1235TIP3   OH243367   3.742  -3.941   2.155
+ 1235TIP3    H143368   3.759  -3.856   2.110
+ 1235TIP3    H243369   3.708  -3.993   2.079
+ 1235TIP3   OH243370   3.411  -3.663   2.202
+ 1235TIP3    H143371   3.473  -3.711   2.259
+ 1235TIP3    H243372   3.420  -3.712   2.119
+ 1235TIP3   OH243373   3.951  -3.529   2.151
+ 1235TIP3    H143374   4.027  -3.580   2.185
+ 1235TIP3    H243375   3.902  -3.598   2.103
+ 1235TIP3   OH243376   3.620  -4.056   2.573
+ 1235TIP3    H143377   3.588  -4.002   2.499
+ 1235TIP3    H243378   3.553  -4.033   2.641
+ 1235TIP3   OH243379   3.915  -3.275   2.583
+ 1235TIP3    H143380   3.843  -3.214   2.607
+ 1235TIP3    H243381   3.981  -3.215   2.544
+ 1235TIP3   OH243382   3.584  -3.856   2.364
+ 1235TIP3    H143383   3.647  -3.795   2.407
+ 1235TIP3    H243384   3.640  -3.890   2.291
+ 1235TIP3   OH243385   3.715  -3.084   2.653
+ 1235TIP3    H143386   3.714  -2.991   2.622
+ 1235TIP3    H243387   3.628  -3.086   2.697
+ 1236TIP3   OH243388   3.348  -3.112   1.741
+ 1236TIP3    H143389   3.327  -3.062   1.661
+ 1236TIP3    H243390   3.364  -3.042   1.808
+ 1236TIP3   OH243391   4.046   4.379   2.291
+ 1236TIP3    H143392   4.045   4.283   2.306
+ 1236TIP3    H243393   3.960   4.410   2.325
+ 1236TIP3   OH243394   4.264  -3.433   1.743
+ 1236TIP3    H143395   4.199  -3.361   1.732
+ 1236TIP3    H243396   4.334  -3.403   1.685
+ 1236TIP3   OH243397   4.287  -3.582   1.464
+ 1236TIP3    H143398   4.369  -3.582   1.516
+ 1236TIP3    H243399   4.297  -3.660   1.408
+ 1236TIP3   OH243400   3.758  -3.339   2.042
+ 1236TIP3    H143401   3.728  -3.382   1.960
+ 1236TIP3    H243402   3.823  -3.403   2.075
+ 1236TIP3   OH243403   3.898  -2.999   2.316
+ 1236TIP3    H143404   3.888  -3.040   2.229
+ 1236TIP3    H243405   3.977  -3.045   2.351
+ 1236TIP3   OH243406   3.816  -3.457   2.390
+ 1236TIP3    H143407   3.876  -3.458   2.312
+ 1236TIP3    H243408   3.858  -3.391   2.448
+ 1236TIP3   OH243409   3.902  -3.023   2.873
+ 1236TIP3    H143410   3.851  -2.955   2.921
+ 1236TIP3    H243411   3.840  -3.048   2.803
+ 1236TIP3   OH243412   3.595  -3.390   2.790
+ 1236TIP3    H143413   3.600  -3.327   2.864
+ 1236TIP3    H243414   3.500  -3.395   2.774
+ 1236TIP3   OH243415   4.251  -2.815   1.960
+ 1236TIP3    H143416   4.299  -2.765   2.028
+ 1236TIP3    H243417   4.199  -2.745   1.918
+ 1237TIP3   OH243418   3.714  -2.811   2.954
+ 1237TIP3    H143419   3.702  -2.802   2.857
+ 1237TIP3    H243420   3.622  -2.825   2.984
+ 1237TIP3   OH243421   3.649  -3.463   1.796
+ 1237TIP3    H143422   3.630  -3.387   1.738
+ 1237TIP3    H243423   3.583  -3.527   1.766
+ 1237TIP3   OH243424   3.257  -3.195   2.666
+ 1237TIP3    H143425   3.213  -3.194   2.579
+ 1237TIP3    H243426   3.269  -3.291   2.682
+ 1237TIP3   OH243427   3.262  -2.902   2.359
+ 1237TIP3    H143428   3.354  -2.930   2.368
+ 1237TIP3    H243429   3.253  -2.842   2.434
+ 1237TIP3   OH243430   4.173  -2.921   2.823
+ 1237TIP3    H143431   4.180  -2.832   2.861
+ 1237TIP3    H243432   4.082  -2.948   2.845
+ 1237TIP3   OH243433   4.176  -2.533   1.811
+ 1237TIP3    H143434   4.207  -2.538   1.720
+ 1237TIP3    H243435   4.212  -2.450   1.844
+ 1237TIP3   OH243436   3.573  -2.622   1.979
+ 1237TIP3    H143437   3.589  -2.669   2.063
+ 1237TIP3    H243438   3.492  -2.665   1.948
+ 1237TIP3   OH243439   3.477  -3.044   2.789
+ 1237TIP3    H143440   3.500  -3.089   2.872
+ 1237TIP3    H243441   3.399  -3.093   2.758
+ 1237TIP3   OH243442   3.795  -4.219   2.382
+ 1237TIP3    H143443   3.711  -4.238   2.339
+ 1237TIP3    H243444   3.776  -4.135   2.425
+ 1237TIP3   OH243445   4.223  -4.291   2.743
+ 1237TIP3    H143446   4.251  -4.356   2.812
+ 1237TIP3    H243447   4.131  -4.279   2.768
+ 1238TIP3   OH243448   4.227  -3.991   1.464
+ 1238TIP3    H143449   4.161  -4.003   1.534
+ 1238TIP3    H243450   4.189  -4.050   1.396
+ 1238TIP3   OH243451   3.778  -3.714   2.509
+ 1238TIP3    H143452   3.718  -3.701   2.584
+ 1238TIP3    H243453   3.788  -3.624   2.473
+ 1238TIP3   OH243454   3.774  -3.711   1.999
+ 1238TIP3    H143455   3.679  -3.717   1.982
+ 1238TIP3    H243456   3.809  -3.726   1.909
+ 1238TIP3   OH243457   4.293  -3.682   1.887
+ 1238TIP3    H143458   4.266  -3.589   1.875
+ 1238TIP3    H243459   4.317  -3.707   1.798
+ 1238TIP3   OH243460   4.250  -3.626   3.029
+ 1238TIP3    H143461   4.193  -3.706   3.041
+ 1238TIP3    H243462   4.337  -3.670   3.032
+ 1238TIP3   OH243463   3.517  -3.697   2.692
+ 1238TIP3    H143464   3.547  -3.669   2.780
+ 1238TIP3    H243465   3.478  -3.784   2.712
+ 1238TIP3   OH243466   3.861  -3.939   1.352
+ 1238TIP3    H143467   3.821  -3.978   1.431
+ 1238TIP3    H243468   3.784  -3.924   1.294
+ 1238TIP3   OH243469   3.197  -3.956   2.057
+ 1238TIP3    H143470   3.255  -3.957   2.135
+ 1238TIP3    H243471   3.252  -3.993   1.987
+ 1238TIP3   OH243472   3.358  -3.910   1.629
+ 1238TIP3    H143473   3.411  -3.860   1.564
+ 1238TIP3    H243474   3.286  -3.847   1.646
+ 1238TIP3   OH243475   4.350  -3.572   2.634
+ 1238TIP3    H143476   4.380  -3.638   2.567
+ 1238TIP3    H243477   4.272  -3.617   2.669
+ 1239TIP3   OH243478   4.047  -3.972   2.097
+ 1239TIP3    H143479   3.955  -3.963   2.126
+ 1239TIP3    H243480   4.095  -3.957   2.180
+ 1239TIP3   OH243481   3.507  -3.827   1.968
+ 1239TIP3    H143482   3.427  -3.798   1.921
+ 1239TIP3    H243483   3.535  -3.908   1.920
+ 1239TIP3   OH243484   3.865  -3.791   1.736
+ 1239TIP3    H143485   3.961  -3.788   1.741
+ 1239TIP3    H243486   3.843  -3.731   1.662
+ 1239TIP3   OH243487   3.722  -3.670   1.511
+ 1239TIP3    H143488   3.662  -3.694   1.439
+ 1239TIP3    H243489   3.804  -3.653   1.461
+ 1239TIP3   OH243490   3.576  -3.204   3.014
+ 1239TIP3    H143491   3.648  -3.193   3.079
+ 1239TIP3    H243492   3.501  -3.176   3.068
+ 1239TIP3   OH243493   4.141  -3.736   2.239
+ 1239TIP3    H143494   4.220  -3.770   2.197
+ 1239TIP3    H243495   4.164  -3.743   2.333
+ 1239TIP3   OH243496   3.668  -4.066   1.907
+ 1239TIP3    H143497   3.622  -4.152   1.917
+ 1239TIP3    H243498   3.750  -4.092   1.864
+ 1239TIP3   OH243499   4.048  -3.859   2.513
+ 1239TIP3    H143500   3.979  -3.792   2.496
+ 1239TIP3    H243501   4.101  -3.816   2.582
+ 1239TIP3   OH243502   4.073  -3.225   1.701
+ 1239TIP3    H143503   3.995  -3.271   1.664
+ 1239TIP3    H243504   4.049  -3.214   1.796
+ 1239TIP3   OH243505   4.205  -3.224   2.824
+ 1239TIP3    H143506   4.184  -3.233   2.917
+ 1239TIP3    H243507   4.214  -3.128   2.812
+ 1240TIP3   OH243508   3.579  -3.271   2.279
+ 1240TIP3    H143509   3.635  -3.281   2.200
+ 1240TIP3    H243510   3.590  -3.357   2.322
+ 1240TIP3   OH243511   4.287  -3.082   1.597
+ 1240TIP3    H143512   4.260  -2.993   1.627
+ 1240TIP3    H243513   4.211  -3.135   1.629
+ 1240TIP3   OH243514   3.305  -3.443   2.803
+ 1240TIP3    H143515   3.326  -3.491   2.885
+ 1240TIP3    H243516   3.247  -3.504   2.754
+ 1240TIP3   OH243517   4.001  -3.494   3.007
+ 1240TIP3    H143518   3.967  -3.523   2.921
+ 1240TIP3    H243519   4.096  -3.518   2.999
+ 1240TIP3   OH243520   3.815  -2.943   2.003
+ 1240TIP3    H143521   3.858  -2.857   1.992
+ 1240TIP3    H243522   3.723  -2.922   1.982
+ 1240TIP3   OH243523   3.415  -3.463   1.466
+ 1240TIP3    H143524   3.473  -3.394   1.505
+ 1240TIP3    H243525   3.328  -3.435   1.498
+ 1240TIP3   OH243526   3.994  -3.174   1.964
+ 1240TIP3    H143527   3.968  -3.082   1.980
+ 1240TIP3    H243528   3.923  -3.223   2.008
+ 1240TIP3   OH243529   4.020  -2.743   2.606
+ 1240TIP3    H143530   4.078  -2.672   2.572
+ 1240TIP3    H243531   4.083  -2.796   2.655
+ 1240TIP3   OH243532   3.859  -2.652   1.924
+ 1240TIP3    H143533   3.764  -2.637   1.936
+ 1240TIP3    H243534   3.896  -2.565   1.949
+ 1240TIP3   OH243535   3.435  -3.959   2.768
+ 1240TIP3    H143536   3.344  -3.941   2.736
+ 1240TIP3    H243537   3.420  -4.046   2.810
+ 1241TIP3   OH243538   3.416  -2.802   2.604
+ 1241TIP3    H143539   3.442  -2.892   2.627
+ 1241TIP3    H243540   3.424  -2.759   2.691
+ 1241TIP3   OH243541   3.993  -2.933   1.309
+ 1241TIP3    H143542   4.029  -3.008   1.258
+ 1241TIP3    H243543   3.957  -2.978   1.387
+ 1241TIP3   OH243544   3.885  -2.990   1.584
+ 1241TIP3    H143545   3.934  -3.041   1.651
+ 1241TIP3    H243546   3.899  -2.898   1.614
+ 1241TIP3   OH243547   3.566  -3.241   1.619
+ 1241TIP3    H143548   3.493  -3.203   1.672
+ 1241TIP3    H243549   3.614  -3.161   1.591
+ 1241TIP3   OH243550   4.329  -3.932   2.679
+ 1241TIP3    H143551   4.393  -4.004   2.667
+ 1241TIP3    H243552   4.268  -3.960   2.609
+ 1241TIP3   OH243553   4.169  -2.823   1.637
+ 1241TIP3    H143554   4.088  -2.772   1.657
+ 1241TIP3    H243555   4.209  -2.770   1.568
+ 1241TIP3   OH243556   4.118  -3.879   1.847
+ 1241TIP3    H143557   4.186  -3.813   1.872
+ 1241TIP3    H243558   4.085  -3.900   1.937
+ 1241TIP3   OH243559   4.149  -3.762   2.775
+ 1241TIP3    H143560   4.185  -3.704   2.842
+ 1241TIP3    H243561   4.220  -3.828   2.762
+ 1241TIP3   OH243562   4.200  -4.171   1.968
+ 1241TIP3    H143563   4.172  -4.085   2.007
+ 1241TIP3    H243564   4.272  -4.145   1.908
+ 1241TIP3   OH243565   3.894  -2.717   1.641
+ 1241TIP3    H143566   3.890  -2.635   1.589
+ 1241TIP3    H243567   3.882  -2.683   1.732
+ 1242TIP3   OH243568   3.766  -4.051   1.595
+ 1242TIP3    H143569   3.767  -3.967   1.645
+ 1242TIP3    H243570   3.856  -4.083   1.614
+ 1242TIP3   OH243571   3.611  -2.959   1.495
+ 1242TIP3    H143572   3.685  -2.912   1.537
+ 1242TIP3    H243573   3.660  -3.011   1.429
+ 1242TIP3   OH243574   3.423  -3.745   1.408
+ 1242TIP3    H143575   3.435  -3.650   1.430
+ 1242TIP3    H243576   3.338  -3.744   1.363
+ 1242TIP3   OH243577   3.443  -4.241   2.306
+ 1242TIP3    H143578   3.476  -4.241   2.215
+ 1242TIP3    H243579   3.459  -4.335   2.328
+ 1242TIP3   OH243580   3.405  -2.890   1.913
+ 1242TIP3    H143581   3.328  -2.838   1.940
+ 1242TIP3    H243582   3.441  -2.836   1.841
+ 1242TIP3   OH243583   3.376  -2.630   3.018
+ 1242TIP3    H143584   3.391  -2.613   3.112
+ 1242TIP3    H243585   3.286  -2.665   3.016
+ 1242TIP3   OH243586   3.815  -2.693   3.208
+ 1242TIP3    H143587   3.883  -2.760   3.227
+ 1242TIP3    H243588   3.791  -2.718   3.117
+ 1242TIP3   OH243589   4.230  -2.768   1.342
+ 1242TIP3    H143590   4.147  -2.821   1.341
+ 1242TIP3    H243591   4.294  -2.840   1.327
+ 1242TIP3   OH243592   3.315  -3.247   3.150
+ 1242TIP3    H143593   3.349  -3.322   3.100
+ 1242TIP3    H243594   3.256  -3.204   3.085
+ 1242TIP3   OH243595   3.763  -3.192   1.342
+ 1242TIP3    H143596   3.780  -3.252   1.417
+ 1242TIP3    H243597   3.848  -3.196   1.295
+ 1243TIP3   OH243598   4.008  -3.214   3.073
+ 1243TIP3    H143599   3.979  -3.181   2.986
+ 1243TIP3    H243600   4.015  -3.310   3.058
+ 1243TIP3   OH243601   4.260  -3.060   1.298
+ 1243TIP3    H143602   4.278  -3.050   1.393
+ 1243TIP3    H243603   4.244  -3.155   1.291
+ 1243TIP3   OH243604   3.411  -3.533   3.063
+ 1243TIP3    H143605   3.492  -3.586   3.055
+ 1243TIP3    H243606   3.422  -3.499   3.153
+ 1243TIP3   OH243607   3.870  -3.386   1.573
+ 1243TIP3    H143608   3.809  -3.437   1.628
+ 1243TIP3    H243609   3.902  -3.455   1.512
+ 1243TIP3   OH243610   3.795  -3.605   2.803
+ 1243TIP3    H143611   3.739  -3.526   2.818
+ 1243TIP3    H243612   3.854  -3.574   2.733
+ 1243TIP3   OH243613   3.978  -3.585   1.404
+ 1243TIP3    H143614   3.969  -3.579   1.308
+ 1243TIP3    H243615   4.074  -3.573   1.415
+ 1243TIP3   OH243616   4.284  -3.359   3.172
+ 1243TIP3    H143617   4.355  -3.390   3.115
+ 1243TIP3    H243618   4.266  -3.439   3.224
+ 1243TIP3   OH243619   3.851  -3.880   2.915
+ 1243TIP3    H143620   3.865  -3.943   2.842
+ 1243TIP3    H243621   3.840  -3.797   2.866
+ 1243TIP3   OH243622   3.890  -4.037   2.652
+ 1243TIP3    H143623   3.943  -3.978   2.593
+ 1243TIP3    H243624   3.799  -4.023   2.619
+ 1243TIP3   OH243625   4.066  -3.493   2.690
+ 1243TIP3    H143626   4.136  -3.492   2.624
+ 1243TIP3    H243627   4.029  -3.404   2.678
+ 1244TIP3   OH243628   3.666  -3.695   3.093
+ 1244TIP3    H143629   3.621  -3.782   3.093
+ 1244TIP3    H243630   3.749  -3.717   3.049
+ 1244TIP3   OH243631   3.932  -4.273   2.778
+ 1244TIP3    H143632   3.950  -4.186   2.737
+ 1244TIP3    H243633   3.839  -4.281   2.753
+ 1244TIP3   OH243634   4.105  -3.855   3.069
+ 1244TIP3    H143635   4.070  -3.886   3.154
+ 1244TIP3    H243636   4.030  -3.876   3.011
+ 1244TIP3   OH243637   3.549  -3.956   3.083
+ 1244TIP3    H143638   3.525  -4.016   3.010
+ 1244TIP3    H243639   3.506  -3.998   3.159
+ 1244TIP3   OH243640   4.051  -4.153   3.183
+ 1244TIP3    H143641   4.027  -4.234   3.134
+ 1244TIP3    H243642   3.969  -4.102   3.183
+ 1244TIP3   OH243643   3.955  -2.459   1.514
+ 1244TIP3    H143644   4.051  -2.458   1.520
+ 1244TIP3    H243645   3.941  -2.417   1.429
+ 1244TIP3   OH243646   3.334  -3.020   1.464
+ 1244TIP3    H143647   3.430  -3.002   1.478
+ 1244TIP3    H243648   3.336  -3.099   1.407
+ 1244TIP3   OH243649   3.233  -2.500   1.938
+ 1244TIP3    H143650   3.162  -2.538   1.884
+ 1244TIP3    H243651   3.243  -2.569   2.007
+ 1244TIP3   OH243652   3.273  -2.698   2.136
+ 1244TIP3    H143653   3.243  -2.785   2.168
+ 1244TIP3    H243654   3.305  -2.662   2.220
+ 1244TIP3   OH243655   3.280  -3.368   2.377
+ 1244TIP3    H143656   3.304  -3.359   2.284
+ 1244TIP3    H243657   3.368  -3.386   2.417
+ 1245TIP3   OH243658   3.258  -3.825   3.041
+ 1245TIP3    H143659   3.348  -3.841   3.010
+ 1245TIP3    H243660   3.216  -3.911   3.024
+ 1245TIP3   OH243661   3.341  -3.991   2.299
+ 1245TIP3    H143662   3.374  -4.083   2.309
+ 1245TIP3    H243663   3.417  -3.940   2.333
+ 1245TIP3   OH243664   3.203  -3.729   2.402
+ 1245TIP3    H143665   3.260  -3.735   2.323
+ 1245TIP3    H243666   3.241  -3.652   2.446
+ 1245TIP3   OH243667   3.256  -4.102   1.806
+ 1245TIP3    H143668   3.161  -4.094   1.786
+ 1245TIP3    H243669   3.296  -4.034   1.748
+ 1245TIP3   OH243670   3.230  -4.124   2.661
+ 1245TIP3    H143671   3.234  -4.218   2.686
+ 1245TIP3    H243672   3.214  -4.131   2.566
+ 1245TIP3   OH243673   3.443  -2.928   3.094
+ 1245TIP3    H143674   3.388  -2.888   3.024
+ 1245TIP3    H243675   3.413  -2.881   3.172
+ 1245TIP3   OH243676   3.742  -2.799   2.657
+ 1245TIP3    H143677   3.707  -2.714   2.624
+ 1245TIP3    H243678   3.837  -2.786   2.639
+ 1245TIP3   OH243679   4.220  -2.634   2.947
+ 1245TIP3    H143680   4.204  -2.671   3.035
+ 1245TIP3    H243681   4.314  -2.613   2.953
+ 1245TIP3   OH243682   3.472  -2.498   2.684
+ 1245TIP3    H143683   3.402  -2.440   2.649
+ 1245TIP3    H243684   3.448  -2.499   2.777
+ 1245TIP3   OH243685   3.727  -2.521   2.549
+ 1245TIP3    H143686   3.641  -2.507   2.593
+ 1245TIP3    H243687   3.726  -2.454   2.480
+ 1246TIP3   OH243688   4.196  -2.548   2.503
+ 1246TIP3    H143689   4.178  -2.499   2.421
+ 1246TIP3    H243690   4.258  -2.490   2.549
+ 1246TIP3   OH243691   3.437  -2.621   2.383
+ 1246TIP3    H143692   3.432  -2.668   2.470
+ 1246TIP3    H243693   3.511  -2.668   2.342
+ 1246TIP3   OH243694   3.638  -2.748   2.227
+ 1246TIP3    H143695   3.621  -2.841   2.255
+ 1246TIP3    H243696   3.728  -2.734   2.261
+ 1246TIP3   OH243697   3.912  -2.699   2.318
+ 1246TIP3    H143698   3.934  -2.791   2.295
+ 1246TIP3    H243699   3.921  -2.702   2.414
+ 1246TIP3   OH243700   4.255  -4.141   2.255
+ 1246TIP3    H143701   4.179  -4.199   2.270
+ 1246TIP3    H243702   4.291  -4.176   2.173
+ 1246TIP3   OH243703   3.478  -4.283   1.980
+ 1246TIP3    H143704   3.387  -4.306   1.957
+ 1246TIP3    H243705   3.512  -4.366   2.016
+ 1246TIP3   OH243706   3.338  -4.291   1.603
+ 1246TIP3    H143707   3.382  -4.243   1.531
+ 1246TIP3    H243708   3.299  -4.217   1.653
+ 1246TIP3   OH243709   3.937  -4.252   1.981
+ 1246TIP3    H143710   4.030  -4.224   1.991
+ 1246TIP3    H243711   3.919  -4.288   2.069
+ 1246TIP3   OH243712   3.381  -2.696   1.707
+ 1246TIP3    H143713   3.316  -2.709   1.637
+ 1246TIP3    H243714   3.377  -2.600   1.716
+ 1246TIP3   OH243715   3.528  -4.128   1.447
+ 1246TIP3    H143716   3.598  -4.161   1.388
+ 1246TIP3    H243717   3.581  -4.074   1.509
+ 1247TIP3   OH243718   4.050  -4.071   1.670
+ 1247TIP3    H143719   4.065  -4.153   1.720
+ 1247TIP3    H243720   4.062  -4.002   1.739
+ 1247TIP3   OH243721   4.262  -2.530   1.515
+ 1247TIP3    H143722   4.351  -2.495   1.499
+ 1247TIP3    H243723   4.250  -2.592   1.441
+ 1247TIP3   OH243724   3.439  -4.180   2.925
+ 1247TIP3    H143725   3.397  -4.261   2.957
+ 1247TIP3    H243726   3.529  -4.214   2.911
+ 1247TIP3   OH243727   3.731  -4.278   3.191
+ 1247TIP3    H143728   3.818  -4.305   3.154
+ 1247TIP3    H243729   3.706  -4.358   3.239
+ 1247TIP3   OH243730   3.526  -2.597   1.388
+ 1247TIP3    H143731   3.499  -2.577   1.478
+ 1247TIP3    H243732   3.599  -2.660   1.402
+ 1247TIP3   OH243733  -3.159  -1.480   2.030
+ 1247TIP3    H143734  -3.164  -1.383   2.035
+ 1247TIP3    H243735  -3.235  -1.500   1.973
+ 1247TIP3   OH243736  -3.273  -1.537   2.338
+ 1247TIP3    H143737  -3.276  -1.595   2.415
+ 1247TIP3    H243738  -3.300  -1.598   2.267
+ 1247TIP3   OH243739  -4.027  -1.577   2.501
+ 1247TIP3    H143740  -4.031  -1.650   2.565
+ 1247TIP3    H243741  -3.957  -1.522   2.540
+ 1247TIP3   OH243742  -2.904  -1.253   2.171
+ 1247TIP3    H143743  -2.940  -1.331   2.215
+ 1247TIP3    H243744  -2.879  -1.198   2.246
+ 1247TIP3   OH243745  -3.952  -1.115   2.359
+ 1247TIP3    H143746  -3.977  -1.208   2.343
+ 1247TIP3    H243747  -3.862  -1.124   2.393
+ 1248TIP3   OH243748  -4.215  -1.740   1.767
+ 1248TIP3    H143749  -4.239  -1.664   1.821
+ 1248TIP3    H243750  -4.296  -1.793   1.773
+ 1248TIP3   OH243751  -4.206  -1.547   2.052
+ 1248TIP3    H143752  -4.185  -1.600   2.130
+ 1248TIP3    H243753  -4.126  -1.495   2.040
+ 1248TIP3   OH243754  -3.171  -0.747   2.211
+ 1248TIP3    H143755  -3.126  -0.832   2.214
+ 1248TIP3    H243756  -3.218  -0.747   2.296
+ 1248TIP3   OH243757  -3.433  -1.293   2.397
+ 1248TIP3    H143758  -3.398  -1.364   2.341
+ 1248TIP3    H243759  -3.355  -1.276   2.453
+ 1248TIP3   OH243760  -2.561  -2.133   2.457
+ 1248TIP3    H143761  -2.533  -2.073   2.528
+ 1248TIP3    H243762  -2.499  -2.108   2.386
+ 1248TIP3   OH243763  -3.098  -1.851   2.445
+ 1248TIP3    H143764  -3.083  -1.947   2.451
+ 1248TIP3    H243765  -3.105  -1.839   2.349
+ 1248TIP3   OH243766  -3.800  -2.052   2.152
+ 1248TIP3    H143767  -3.784  -1.967   2.106
+ 1248TIP3    H243768  -3.834  -2.105   2.078
+ 1248TIP3   OH243769  -3.014  -2.033   1.985
+ 1248TIP3    H143770  -2.955  -2.076   2.051
+ 1248TIP3    H243771  -2.948  -1.991   1.928
+ 1248TIP3   OH243772  -4.140  -1.782   2.207
+ 1248TIP3    H143773  -4.077  -1.819   2.271
+ 1248TIP3    H243774  -4.117  -1.833   2.127
+ 1248TIP3   OH243775  -3.594  -1.640   2.152
+ 1248TIP3    H143776  -3.523  -1.694   2.191
+ 1248TIP3    H243777  -3.644  -1.706   2.102
+ 1249TIP3   OH243778  -2.487  -1.997   2.706
+ 1249TIP3    H143779  -2.546  -1.925   2.677
+ 1249TIP3    H243780  -2.507  -2.000   2.800
+ 1249TIP3   OH243781  -3.918  -2.169   2.569
+ 1249TIP3    H143782  -3.964  -2.126   2.496
+ 1249TIP3    H243783  -3.981  -2.153   2.642
+ 1249TIP3   OH243784  -3.177  -1.201   1.910
+ 1249TIP3    H143785  -3.198  -1.225   1.819
+ 1249TIP3    H243786  -3.220  -1.115   1.921
+ 1249TIP3   OH243787  -3.662  -1.353   2.588
+ 1249TIP3    H143788  -3.726  -1.289   2.623
+ 1249TIP3    H243789  -3.594  -1.294   2.554
+ 1249TIP3   OH243790  -2.832  -2.110   2.187
+ 1249TIP3    H143791  -2.869  -2.171   2.252
+ 1249TIP3    H243792  -2.778  -2.052   2.243
+ 1249TIP3   OH243793  -3.958  -1.963   2.360
+ 1249TIP3    H143794  -3.893  -1.908   2.408
+ 1249TIP3    H243795  -3.900  -2.001   2.290
+ 1249TIP3   OH243796  -4.184  -1.237   1.746
+ 1249TIP3    H143797  -4.263  -1.215   1.692
+ 1249TIP3    H243798  -4.189  -1.171   1.818
+ 1249TIP3   OH243799  -2.848  -1.013   2.346
+ 1249TIP3    H143800  -2.933  -1.037   2.391
+ 1249TIP3    H243801  -2.805  -0.962   2.416
+ 1249TIP3   OH243802  -2.818  -2.194   2.572
+ 1249TIP3    H143803  -2.895  -2.157   2.525
+ 1249TIP3    H243804  -2.746  -2.176   2.510
+ 1249TIP3   OH243805  -3.505  -2.424   2.277
+ 1249TIP3    H143806  -3.528  -2.518   2.271
+ 1249TIP3    H243807  -3.588  -2.386   2.314
+ 1250TIP3   OH243808  -2.882  -1.062   1.967
+ 1250TIP3    H143809  -2.907  -1.097   1.879
+ 1250TIP3    H243810  -2.897  -1.143   2.020
+ 1250TIP3   OH243811  -2.725  -1.215   2.786
+ 1250TIP3    H143812  -2.731  -1.284   2.716
+ 1250TIP3    H243813  -2.698  -1.136   2.737
+ 1250TIP3   OH243814  -3.295  -1.527   1.756
+ 1250TIP3    H143815  -3.361  -1.470   1.714
+ 1250TIP3    H243816  -3.223  -1.525   1.690
+ 1250TIP3   OH243817  -3.267  -1.712   1.465
+ 1250TIP3    H143818  -3.195  -1.678   1.521
+ 1250TIP3    H243819  -3.217  -1.767   1.404
+ 1250TIP3   OH243820  -2.546  -1.603   2.581
+ 1250TIP3    H143821  -2.617  -1.536   2.590
+ 1250TIP3    H243822  -2.498  -1.569   2.503
+ 1250TIP3   OH243823  -2.944  -1.528   1.862
+ 1250TIP3    H143824  -3.013  -1.509   1.929
+ 1250TIP3    H243825  -2.884  -1.586   1.912
+ 1250TIP3   OH243826  -2.961  -1.674   2.746
+ 1250TIP3    H143827  -2.956  -1.593   2.798
+ 1250TIP3    H243828  -3.028  -1.647   2.682
+ 1250TIP3   OH243829  -3.780  -1.450   2.039
+ 1250TIP3    H143830  -3.815  -1.495   1.959
+ 1250TIP3    H243831  -3.718  -1.516   2.075
+ 1250TIP3   OH243832  -3.645  -1.110   2.308
+ 1250TIP3    H143833  -3.655  -1.157   2.224
+ 1250TIP3    H243834  -3.571  -1.159   2.350
+ 1250TIP3   OH243835  -3.724  -1.561   2.397
+ 1250TIP3    H143836  -3.664  -1.557   2.320
+ 1250TIP3    H243837  -3.689  -1.490   2.455
+ 1251TIP3   OH243838  -3.110  -1.023   2.448
+ 1251TIP3    H143839  -3.133  -0.954   2.514
+ 1251TIP3    H243840  -3.150  -1.102   2.488
+ 1251TIP3   OH243841  -3.049  -1.577   1.603
+ 1251TIP3    H143842  -2.999  -1.556   1.685
+ 1251TIP3    H243843  -2.994  -1.533   1.534
+ 1251TIP3   OH243844  -3.956  -1.516   2.794
+ 1251TIP3    H143845  -3.943  -1.445   2.860
+ 1251TIP3    H243846  -4.051  -1.506   2.778
+ 1251TIP3   OH243847  -3.274  -0.909   1.964
+ 1251TIP3    H143848  -3.273  -0.881   2.056
+ 1251TIP3    H243849  -3.348  -0.856   1.929
+ 1251TIP3   OH243850  -2.705  -2.411   1.559
+ 1251TIP3    H143851  -2.791  -2.399   1.602
+ 1251TIP3    H243852  -2.668  -2.321   1.561
+ 1251TIP3   OH243853  -3.894  -1.578   1.796
+ 1251TIP3    H143854  -3.914  -1.502   1.739
+ 1251TIP3    H243855  -3.961  -1.643   1.767
+ 1251TIP3   OH243856  -4.273  -1.291   2.651
+ 1251TIP3    H143857  -4.291  -1.325   2.562
+ 1251TIP3    H243858  -4.296  -1.367   2.707
+ 1251TIP3   OH243859  -4.281  -1.015   2.344
+ 1251TIP3    H143860  -4.198  -1.059   2.367
+ 1251TIP3    H243861  -4.300  -0.968   2.426
+ 1251TIP3   OH243862  -2.444  -0.956   2.936
+ 1251TIP3    H143863  -2.453  -1.052   2.922
+ 1251TIP3    H243864  -2.534  -0.933   2.967
+ 1251TIP3   OH243865  -3.391  -1.047   2.821
+ 1251TIP3    H143866  -3.383  -0.953   2.845
+ 1251TIP3    H243867  -3.488  -1.044   2.801
+ 1252TIP3   OH243868  -3.364  -0.641   1.819
+ 1252TIP3    H143869  -3.347  -0.650   1.725
+ 1252TIP3    H243870  -3.334  -0.552   1.841
+ 1252TIP3   OH243871  -3.976  -0.740   1.980
+ 1252TIP3    H143872  -3.951  -0.783   2.064
+ 1252TIP3    H243873  -4.055  -0.792   1.958
+ 1252TIP3   OH243874  -3.007  -0.741   1.506
+ 1252TIP3    H143875  -2.969  -0.818   1.461
+ 1252TIP3    H243876  -3.002  -0.770   1.599
+ 1252TIP3   OH243877  -3.071  -0.758   1.812
+ 1252TIP3    H143878  -3.167  -0.759   1.826
+ 1252TIP3    H243879  -3.049  -0.841   1.854
+ 1252TIP3   OH243880  -2.765  -1.820   2.978
+ 1252TIP3    H143881  -2.815  -1.782   2.905
+ 1252TIP3    H243882  -2.759  -1.914   2.950
+ 1252TIP3   OH243883  -4.034  -1.172   2.748
+ 1252TIP3    H143884  -4.005  -1.191   2.839
+ 1252TIP3    H243885  -4.122  -1.211   2.740
+ 1252TIP3   OH243886  -3.748  -2.309   2.368
+ 1252TIP3    H143887  -3.830  -2.317   2.317
+ 1252TIP3    H243888  -3.772  -2.235   2.427
+ 1252TIP3   OH243889  -3.311  -2.349   2.736
+ 1252TIP3    H143890  -3.258  -2.405   2.796
+ 1252TIP3    H243891  -3.401  -2.385   2.744
+ 1252TIP3   OH243892  -2.994  -1.971   2.784
+ 1252TIP3    H143893  -3.055  -1.987   2.858
+ 1252TIP3    H243894  -3.002  -1.875   2.769
+ 1252TIP3   OH243895  -2.880  -1.479   1.398
+ 1252TIP3    H143896  -2.897  -1.498   1.304
+ 1252TIP3    H243897  -2.788  -1.451   1.396
+ 1253TIP3   OH243898  -3.333  -2.097   1.459
+ 1253TIP3    H143899  -3.379  -2.115   1.542
+ 1253TIP3    H243900  -3.370  -2.167   1.402
+ 1253TIP3   OH243901  -3.763  -1.827   2.508
+ 1253TIP3    H143902  -3.821  -1.817   2.585
+ 1253TIP3    H243903  -3.754  -1.735   2.476
+ 1253TIP3   OH243904  -3.769  -1.824   1.997
+ 1253TIP3    H143905  -3.864  -1.828   1.977
+ 1253TIP3    H243906  -3.732  -1.840   1.908
+ 1253TIP3   OH243907  -3.207  -1.765   1.876
+ 1253TIP3    H143908  -3.248  -1.683   1.839
+ 1253TIP3    H243909  -3.138  -1.782   1.810
+ 1253TIP3   OH243910  -3.288  -1.746   3.011
+ 1253TIP3    H143911  -3.338  -1.823   3.047
+ 1253TIP3    H243912  -3.200  -1.759   3.050
+ 1253TIP3   OH243913  -3.122  -1.826   2.152
+ 1253TIP3    H143914  -3.151  -1.770   2.078
+ 1253TIP3    H243915  -3.098  -1.907   2.103
+ 1253TIP3   OH243916  -4.023  -1.816   2.690
+ 1253TIP3    H143917  -4.002  -1.771   2.773
+ 1253TIP3    H243918  -4.050  -1.903   2.721
+ 1253TIP3   OH243919  -3.688  -2.047   1.355
+ 1253TIP3    H143920  -3.726  -2.092   1.433
+ 1253TIP3    H243921  -3.764  -2.041   1.296
+ 1253TIP3   OH243922  -4.322  -2.054   2.052
+ 1253TIP3    H143923  -4.311  -2.073   2.146
+ 1253TIP3    H243924  -4.274  -2.126   2.011
+ 1253TIP3   OH243925  -4.210  -2.013   1.639
+ 1253TIP3    H143926  -4.147  -1.984   1.570
+ 1253TIP3    H243927  -4.289  -1.968   1.611
+ 1254TIP3   OH243928  -3.213  -1.657   2.601
+ 1254TIP3    H143929  -3.170  -1.729   2.550
+ 1254TIP3    H243930  -3.253  -1.707   2.674
+ 1254TIP3   OH243931  -3.490  -2.062   2.101
+ 1254TIP3    H143932  -3.585  -2.069   2.124
+ 1254TIP3    H243933  -3.448  -2.083   2.186
+ 1254TIP3   OH243934  -4.042  -1.937   1.962
+ 1254TIP3    H143935  -4.115  -1.924   1.900
+ 1254TIP3    H243936  -4.001  -2.019   1.930
+ 1254TIP3   OH243937  -3.672  -1.905   1.737
+ 1254TIP3    H143938  -3.575  -1.901   1.742
+ 1254TIP3    H243939  -3.694  -1.846   1.663
+ 1254TIP3   OH243940  -3.052  -2.149   2.403
+ 1254TIP3    H143941  -3.117  -2.148   2.476
+ 1254TIP3    H243942  -3.107  -2.183   2.331
+ 1254TIP3   OH243943  -3.826  -1.778   1.513
+ 1254TIP3    H143944  -3.883  -1.814   1.443
+ 1254TIP3    H243945  -3.744  -1.761   1.463
+ 1254TIP3   OH243946  -2.751  -0.572   3.068
+ 1254TIP3    H143947  -2.728  -0.526   2.985
+ 1254TIP3    H243948  -2.681  -0.540   3.127
+ 1254TIP3   OH243949  -3.953  -1.322   3.014
+ 1254TIP3    H143950  -3.892  -1.303   3.088
+ 1254TIP3    H243951  -4.038  -1.298   3.056
+ 1254TIP3   OH243952  -3.389  -1.808   2.283
+ 1254TIP3    H143953  -3.316  -1.851   2.236
+ 1254TIP3    H243954  -3.405  -1.871   2.357
+ 1254TIP3   OH243955  -3.874  -2.171   1.908
+ 1254TIP3    H143956  -3.915  -2.258   1.911
+ 1254TIP3    H243957  -3.792  -2.191   1.859
+ 1255TIP3   OH243958  -3.493  -1.964   2.506
+ 1255TIP3    H143959  -3.569  -1.904   2.507
+ 1255TIP3    H243960  -3.443  -1.936   2.586
+ 1255TIP3   OH243961  -3.481  -1.319   1.696
+ 1255TIP3    H143962  -3.555  -1.373   1.661
+ 1255TIP3    H243963  -3.497  -1.320   1.793
+ 1255TIP3   OH243964  -2.756  -1.403   2.571
+ 1255TIP3    H143965  -2.705  -1.357   2.501
+ 1255TIP3    H243966  -2.840  -1.423   2.526
+ 1255TIP3   OH243967  -3.063  -2.046   1.481
+ 1255TIP3    H143968  -3.161  -2.042   1.470
+ 1255TIP3    H243969  -3.043  -1.966   1.533
+ 1255TIP3   OH243970  -3.310  -1.316   2.826
+ 1255TIP3    H143971  -3.343  -1.349   2.911
+ 1255TIP3    H243972  -3.345  -1.225   2.826
+ 1255TIP3   OH243973  -2.994  -1.853   1.683
+ 1255TIP3    H143974  -2.905  -1.874   1.718
+ 1255TIP3    H243975  -2.978  -1.772   1.632
+ 1255TIP3   OH243976  -3.983  -1.400   2.263
+ 1255TIP3    H143977  -3.910  -1.400   2.199
+ 1255TIP3    H243978  -3.960  -1.475   2.320
+ 1255TIP3   OH243979  -3.236  -1.188   1.592
+ 1255TIP3    H143980  -3.263  -1.103   1.629
+ 1255TIP3    H243981  -3.311  -1.245   1.615
+ 1255TIP3   OH243982  -4.244  -1.540   2.830
+ 1255TIP3    H143983  -4.232  -1.603   2.904
+ 1255TIP3    H243984  -4.290  -1.595   2.763
+ 1255TIP3   OH243985  -3.540  -1.604   3.005
+ 1255TIP3    H143986  -3.581  -1.631   2.921
+ 1255TIP3    H243987  -3.448  -1.631   2.992
+ 1256TIP3   OH243988  -3.092  -1.056   2.775
+ 1256TIP3    H143989  -3.190  -1.057   2.770
+ 1256TIP3    H243990  -3.078  -1.038   2.869
+ 1256TIP3   OH243991  -2.539  -1.851   1.653
+ 1256TIP3    H143992  -2.588  -1.877   1.573
+ 1256TIP3    H243993  -2.524  -1.757   1.630
+ 1256TIP3   OH243994  -2.490  -1.254   2.934
+ 1256TIP3    H143995  -2.584  -1.233   2.915
+ 1256TIP3    H243996  -2.457  -1.273   2.844
+ 1256TIP3   OH243997  -2.695  -1.002   1.666
+ 1256TIP3    H143998  -2.723  -1.088   1.699
+ 1256TIP3    H243999  -2.661  -1.024   1.579
+ 1256TIP3   OH244000  -2.987  -1.463   2.399
+ 1256TIP3    H144001  -3.080  -1.478   2.377
+ 1256TIP3    H244002  -2.945  -1.538   2.351
+ 1256TIP3   OH244003  -3.726  -1.059   1.993
+ 1256TIP3    H144004  -3.688  -0.970   1.997
+ 1256TIP3    H244005  -3.820  -1.039   1.985
+ 1256TIP3   OH244006  -4.156  -1.559   1.475
+ 1256TIP3    H144007  -4.081  -1.508   1.512
+ 1256TIP3    H244008  -4.228  -1.498   1.492
+ 1256TIP3   OH244009  -3.542  -1.285   1.971
+ 1256TIP3    H144010  -3.580  -1.196   1.980
+ 1256TIP3    H244011  -3.613  -1.339   2.009
+ 1256TIP3   OH244012  -3.680  -0.765   1.923
+ 1256TIP3    H144013  -3.776  -0.756   1.936
+ 1256TIP3    H244014  -3.648  -0.677   1.951
+ 1256TIP3   OH244015  -3.184  -1.285   2.558
+ 1256TIP3    H144016  -3.217  -1.308   2.647
+ 1256TIP3    H244017  -3.114  -1.350   2.545
+ 1257TIP3   OH244018  -2.976  -1.130   1.454
+ 1257TIP3    H144019  -2.923  -1.179   1.518
+ 1257TIP3    H244020  -3.064  -1.162   1.477
+ 1257TIP3   OH244021  -2.889  -0.833   2.795
+ 1257TIP3    H144022  -2.970  -0.876   2.760
+ 1257TIP3    H244023  -2.882  -0.753   2.740
+ 1257TIP3   OH244024  -4.100  -2.084   2.771
+ 1257TIP3    H144025  -4.185  -2.049   2.741
+ 1257TIP3    H244026  -4.122  -2.171   2.810
+ 1257TIP3   OH244027  -2.866  -1.272   1.704
+ 1257TIP3    H144028  -2.904  -1.349   1.749
+ 1257TIP3    H244029  -2.772  -1.296   1.703
+ 1257TIP3   OH244030  -4.127  -0.922   2.625
+ 1257TIP3    H144031  -4.090  -1.012   2.628
+ 1257TIP3    H244032  -4.075  -0.883   2.696
+ 1257TIP3   OH244033  -3.545  -1.049   1.311
+ 1257TIP3    H144034  -3.516  -1.123   1.255
+ 1257TIP3    H244035  -3.588  -1.096   1.384
+ 1257TIP3   OH244036  -3.664  -1.100   1.582
+ 1257TIP3    H144037  -3.613  -1.155   1.643
+ 1257TIP3    H244038  -3.648  -1.010   1.615
+ 1257TIP3   OH244039  -3.988  -1.359   1.613
+ 1257TIP3    H144040  -4.056  -1.317   1.671
+ 1257TIP3    H244041  -3.936  -1.280   1.590
+ 1257TIP3   OH244042  -3.211  -2.107   2.622
+ 1257TIP3    H144043  -3.148  -2.081   2.691
+ 1257TIP3    H244044  -3.260  -2.181   2.664
+ 1257TIP3   OH244045  -3.150  -2.162   1.747
+ 1257TIP3    H144046  -3.127  -2.114   1.666
+ 1257TIP3    H244047  -3.100  -2.113   1.814
+ 1258TIP3   OH244048  -3.359  -0.918   1.648
+ 1258TIP3    H144049  -3.452  -0.889   1.652
+ 1258TIP3    H244050  -3.336  -0.899   1.556
+ 1258TIP3   OH244051  -3.407  -1.965   1.842
+ 1258TIP3    H144052  -3.330  -1.906   1.854
+ 1258TIP3    H244053  -3.433  -1.981   1.934
+ 1258TIP3   OH244054  -3.367  -1.866   2.757
+ 1258TIP3    H144055  -3.359  -1.818   2.842
+ 1258TIP3    H244056  -3.317  -1.947   2.776
+ 1258TIP3   OH244057  -3.346  -2.263   1.936
+ 1258TIP3    H144058  -3.365  -2.193   2.001
+ 1258TIP3    H244059  -3.273  -2.222   1.885
+ 1258TIP3   OH244060  -3.639  -0.829   1.643
+ 1258TIP3    H144061  -3.657  -0.751   1.589
+ 1258TIP3    H244062  -3.657  -0.796   1.734
+ 1258TIP3   OH244063  -3.775  -2.163   1.595
+ 1258TIP3    H144064  -3.764  -2.082   1.648
+ 1258TIP3    H244065  -3.693  -2.211   1.619
+ 1258TIP3   OH244066  -2.741  -2.072   2.847
+ 1258TIP3    H144067  -2.837  -2.059   2.830
+ 1258TIP3    H244068  -2.714  -2.096   2.757
+ 1258TIP3   OH244069  -2.890  -1.687   2.251
+ 1258TIP3    H144070  -2.971  -1.733   2.221
+ 1258TIP3    H244071  -2.841  -1.760   2.295
+ 1258TIP3   OH244072  -3.933  -1.073   1.495
+ 1258TIP3    H144073  -3.856  -1.031   1.538
+ 1258TIP3    H244074  -3.887  -1.128   1.430
+ 1258TIP3   OH244075  -4.115  -1.860   1.417
+ 1258TIP3    H144076  -4.107  -1.765   1.433
+ 1258TIP3    H244077  -4.193  -1.868   1.361
+ 1259TIP3   OH244078  -4.026  -2.361   2.283
+ 1259TIP3    H144079  -4.058  -2.364   2.191
+ 1259TIP3    H244080  -4.068  -2.442   2.321
+ 1259TIP3   OH244081  -4.137  -0.998   1.910
+ 1259TIP3    H144082  -4.226  -0.960   1.918
+ 1259TIP3    H244083  -4.104  -0.955   1.830
+ 1259TIP3   OH244084  -4.215  -0.720   3.034
+ 1259TIP3    H144085  -4.150  -0.720   3.108
+ 1259TIP3    H244086  -4.214  -0.815   3.016
+ 1259TIP3   OH244087  -3.737  -0.814   3.185
+ 1259TIP3    H144088  -3.667  -0.874   3.213
+ 1259TIP3    H244089  -3.749  -0.842   3.093
+ 1259TIP3   OH244090  -3.322  -0.884   1.370
+ 1259TIP3    H144091  -3.395  -0.945   1.345
+ 1259TIP3    H244092  -3.247  -0.928   1.326
+ 1259TIP3   OH244093  -3.077  -0.981   3.062
+ 1259TIP3    H144094  -3.121  -1.059   3.100
+ 1259TIP3    H244095  -3.011  -0.959   3.131
+ 1259TIP3   OH244096  -4.202  -1.311   3.099
+ 1259TIP3    H144097  -4.188  -1.399   3.061
+ 1259TIP3    H244098  -4.289  -1.287   3.065
+ 1259TIP3   OH244099  -3.781  -1.307   1.342
+ 1259TIP3    H144100  -3.760  -1.367   1.416
+ 1259TIP3    H244101  -3.697  -1.309   1.293
+ 1259TIP3   OH244102  -3.546  -1.322   3.057
+ 1259TIP3    H144103  -3.583  -1.299   2.971
+ 1259TIP3    H244104  -3.535  -1.419   3.050
+ 1259TIP3   OH244105  -3.260  -1.174   1.304
+ 1259TIP3    H144106  -3.258  -1.182   1.401
+ 1259TIP3    H244107  -3.261  -1.269   1.279
+ 1260TIP3   OH244108  -3.001  -1.369   2.812
+ 1260TIP3    H144109  -2.925  -1.311   2.798
+ 1260TIP3    H244110  -3.075  -1.306   2.813
+ 1260TIP3   OH244111  -4.140  -1.649   3.073
+ 1260TIP3    H144112  -4.056  -1.698   3.061
+ 1260TIP3    H244113  -4.126  -1.611   3.161
+ 1260TIP3   OH244114  -3.673  -1.498   1.576
+ 1260TIP3    H144115  -3.731  -1.552   1.631
+ 1260TIP3    H244116  -3.641  -1.564   1.511
+ 1260TIP3   OH244117  -3.746  -1.721   2.805
+ 1260TIP3    H144118  -3.807  -1.646   2.818
+ 1260TIP3    H244119  -3.684  -1.684   2.739
+ 1260TIP3   OH244120  -3.576  -1.696   1.402
+ 1260TIP3    H144121  -3.578  -1.689   1.304
+ 1260TIP3    H244122  -3.480  -1.702   1.418
+ 1260TIP3   OH244123  -3.222  -1.453   3.156
+ 1260TIP3    H144124  -3.132  -1.469   3.126
+ 1260TIP3    H244125  -3.245  -1.538   3.195
+ 1260TIP3   OH244126  -3.691  -1.992   2.915
+ 1260TIP3    H144127  -3.684  -2.058   2.843
+ 1260TIP3    H244128  -3.711  -1.911   2.865
+ 1260TIP3   OH244129  -3.657  -2.146   2.661
+ 1260TIP3    H144130  -3.605  -2.094   2.596
+ 1260TIP3    H244131  -3.748  -2.143   2.624
+ 1260TIP3   OH244132  -3.512  -1.589   2.684
+ 1260TIP3    H144133  -3.424  -1.594   2.643
+ 1260TIP3    H244134  -3.540  -1.498   2.663
+ 1260TIP3   OH244135  -3.045  -1.809   3.181
+ 1260TIP3    H144136  -3.020  -1.903   3.188
+ 1260TIP3    H244137  -2.957  -1.768   3.172
+ 1261TIP3   OH244138  -2.948  -1.530   3.027
+ 1261TIP3    H144139  -2.982  -1.469   2.959
+ 1261TIP3    H244140  -2.858  -1.546   2.991
+ 1261TIP3   OH244141  -3.876  -1.806   3.096
+ 1261TIP3    H144142  -3.930  -1.887   3.093
+ 1261TIP3    H244143  -3.797  -1.831   3.046
+ 1261TIP3   OH244144  -3.586  -2.414   2.697
+ 1261TIP3    H144145  -3.603  -2.319   2.678
+ 1261TIP3    H244146  -3.655  -2.456   2.641
+ 1261TIP3   OH244147  -3.459  -1.965   3.073
+ 1261TIP3    H144148  -3.500  -1.978   3.161
+ 1261TIP3    H244149  -3.539  -1.980   3.017
+ 1261TIP3   OH244150  -3.204  -2.051   2.960
+ 1261TIP3    H144151  -3.292  -2.046   3.002
+ 1261TIP3    H244152  -3.157  -2.113   3.019
+ 1261TIP3   OH244153  -3.026  -2.200   3.132
+ 1261TIP3    H144154  -3.031  -2.296   3.146
+ 1261TIP3    H244155  -3.037  -2.163   3.221
+ 1261TIP3   OH244156  -4.014  -2.059   3.077
+ 1261TIP3    H144157  -4.017  -2.131   3.013
+ 1261TIP3    H244158  -4.033  -2.105   3.161
+ 1261TIP3   OH244159  -3.593  -2.467   2.980
+ 1261TIP3    H144160  -3.533  -2.543   2.976
+ 1261TIP3    H244161  -3.603  -2.447   2.885
+ 1261TIP3   OH244162  -3.514  -2.315   3.208
+ 1261TIP3    H144163  -3.533  -2.355   3.121
+ 1261TIP3    H244164  -3.570  -2.235   3.204
+ 1261TIP3   OH244165  -3.596  -0.557   1.518
+ 1261TIP3    H144166  -3.503  -0.577   1.507
+ 1261TIP3    H244167  -3.621  -0.532   1.428
+ 1262TIP3   OH244168  -4.201  -1.087   1.420
+ 1262TIP3    H144169  -4.121  -1.089   1.476
+ 1262TIP3    H244170  -4.213  -1.179   1.396
+ 1262TIP3   OH244171  -4.274  -0.807   2.132
+ 1262TIP3    H144172  -4.276  -0.896   2.173
+ 1262TIP3    H244173  -4.241  -0.756   2.208
+ 1262TIP3   OH244174  -2.535  -0.694   2.428
+ 1262TIP3    H144175  -2.518  -0.700   2.523
+ 1262TIP3    H244176  -2.448  -0.670   2.394
+ 1262TIP3   OH244177  -2.525  -0.740   2.726
+ 1262TIP3    H144178  -2.577  -0.813   2.688
+ 1262TIP3    H244179  -2.470  -0.789   2.789
+ 1262TIP3   OH244180  -2.726  -1.199   3.153
+ 1262TIP3    H144181  -2.814  -1.192   3.193
+ 1262TIP3    H244182  -2.681  -1.119   3.186
+ 1262TIP3   OH244183  -2.592  -1.317   1.726
+ 1262TIP3    H144184  -2.503  -1.278   1.737
+ 1262TIP3    H244185  -2.591  -1.383   1.798
+ 1262TIP3   OH244186  -2.543  -1.509   1.928
+ 1262TIP3    H144187  -2.606  -1.572   1.969
+ 1262TIP3    H244188  -2.471  -1.504   1.994
+ 1262TIP3   OH244189  -2.577  -1.255   2.416
+ 1262TIP3    H144190  -2.515  -1.312   2.368
+ 1262TIP3    H244191  -2.542  -1.166   2.394
+ 1262TIP3   OH244192  -2.698  -0.961   2.637
+ 1262TIP3    H144193  -2.766  -0.926   2.698
+ 1262TIP3    H244194  -2.746  -1.027   2.586
+ 1262TIP3   OH244195  -2.528  -1.553   1.556
+ 1262TIP3    H144196  -2.564  -1.519   1.474
+ 1262TIP3    H244197  -2.539  -1.478   1.616
+ 1263TIP3   OH244198  -2.690  -1.807   1.399
+ 1263TIP3    H144199  -2.658  -1.755   1.324
+ 1263TIP3    H244200  -2.708  -1.894   1.357
+ 1263TIP3   OH244201  -2.749  -1.699   2.006
+ 1263TIP3    H144202  -2.752  -1.795   1.989
+ 1263TIP3    H244203  -2.786  -1.693   2.096
+ 1263TIP3   OH244204  -4.257  -1.451   2.405
+ 1263TIP3    H144205  -4.219  -1.425   2.319
+ 1263TIP3    H244206  -4.178  -1.489   2.448
+ 1263TIP3   OH244207  -2.686  -1.506   2.920
+ 1263TIP3    H144208  -2.614  -1.570   2.937
+ 1263TIP3    H244209  -2.636  -1.424   2.905
+ 1263TIP3   OH244210  -2.532  -1.697   3.043
+ 1263TIP3    H144211  -2.610  -1.752   3.020
+ 1263TIP3    H244212  -2.460  -1.763   3.040
+ 1263TIP3   OH244213  -2.742  -2.077   1.336
+ 1263TIP3    H144214  -2.680  -2.130   1.388
+ 1263TIP3    H244215  -2.818  -2.135   1.322
+ 1263TIP3   OH244216  -2.758  -1.950   1.825
+ 1263TIP3    H144217  -2.733  -2.045   1.828
+ 1263TIP3    H244218  -2.679  -1.912   1.781
+ 1263TIP3   OH244219  -2.737  -1.887   2.368
+ 1263TIP3    H144220  -2.639  -1.879   2.364
+ 1263TIP3    H244221  -2.750  -1.888   2.464
+ 1263TIP3   OH244222  -2.720  -1.820   2.651
+ 1263TIP3    H144223  -2.806  -1.781   2.676
+ 1263TIP3    H244224  -2.667  -1.741   2.629
+ 1263TIP3   OH244225  -4.286  -1.959   3.007
+ 1263TIP3    H144226  -4.196  -1.995   3.014
+ 1263TIP3    H244227  -4.343  -2.032   3.035
+ 1264TIP3   OH244228  -2.468  -2.403   3.177
+ 1264TIP3    H144229  -2.422  -2.473   3.126
+ 1264TIP3    H244230  -2.460  -2.326   3.118
+ 1264TIP3   OH244231  -2.713  -2.228   1.823
+ 1264TIP3    H144232  -2.701  -2.262   1.913
+ 1264TIP3    H244233  -2.792  -2.279   1.794
+ 1264TIP3   OH244234  -4.195  -2.096   2.328
+ 1264TIP3    H144235  -4.164  -2.188   2.326
+ 1264TIP3    H244236  -4.112  -2.047   2.343
+ 1264TIP3   OH244237  -4.352  -1.835   2.396
+ 1264TIP3    H144238  -4.298  -1.896   2.342
+ 1264TIP3    H244239  -4.306  -1.751   2.382
+ 1264TIP3   OH244240  -2.526  -2.197   3.002
+ 1264TIP3    H144241  -2.615  -2.157   3.007
+ 1264TIP3    H244242  -2.538  -2.254   2.924
+ 1264TIP3   OH244243  -2.515  -2.184   1.493
+ 1264TIP3    H144244  -2.484  -2.260   1.441
+ 1264TIP3    H244245  -2.437  -2.126   1.490
+ 1264TIP3   OH244246  -4.313  -2.229   1.763
+ 1264TIP3    H144247  -4.398  -2.199   1.727
+ 1264TIP3    H244248  -4.254  -2.158   1.729
+ 1264TIP3   OH244249  -4.292  -2.333   2.598
+ 1264TIP3    H144250  -4.359  -2.340   2.670
+ 1264TIP3    H244251  -4.335  -2.280   2.530
+ 1264TIP3   OH244252  -4.104  -0.983   3.059
+ 1264TIP3    H144253  -4.161  -1.034   3.002
+ 1264TIP3    H244254  -4.121  -1.023   3.147
+ 1264TIP3   OH244255  -3.352  -0.769   2.962
+ 1264TIP3    H144256  -3.340  -0.803   3.052
+ 1264TIP3    H244257  -3.264  -0.738   2.937
+ 1265TIP3   OH244258  -3.114  -0.632   2.877
+ 1265TIP3    H144259  -3.052  -0.705   2.864
+ 1265TIP3    H244260  -3.092  -0.603   2.967
+ 1265TIP3   OH244261  -2.641  -2.377   2.803
+ 1265TIP3    H144262  -2.720  -2.358   2.750
+ 1265TIP3    H244263  -2.617  -2.466   2.770
+ 1265TIP3   OH244264  -4.072  -0.601   2.682
+ 1265TIP3    H144265  -4.142  -0.551   2.637
+ 1265TIP3    H244266  -4.106  -0.608   2.772
+ 1265TIP3   OH244267  -3.819  -0.668   2.510
+ 1265TIP3    H144268  -3.883  -0.670   2.583
+ 1265TIP3    H244269  -3.816  -0.575   2.486
+ 1265TIP3   OH244270  -3.323  -0.640   2.486
+ 1265TIP3    H144271  -3.391  -0.608   2.424
+ 1265TIP3    H244272  -3.347  -0.592   2.567
+ 1265TIP3   OH244273  -3.103  -0.768   2.587
+ 1265TIP3    H144274  -3.191  -0.736   2.559
+ 1265TIP3    H244275  -3.055  -0.684   2.593
+ 1265TIP3   OH244276  -2.838  -0.612   2.588
+ 1265TIP3    H144277  -2.853  -0.516   2.581
+ 1265TIP3    H244278  -2.805  -0.632   2.499
+ 1265TIP3   OH244279  -4.125  -0.733   2.380
+ 1265TIP3    H144280  -4.134  -0.773   2.469
+ 1265TIP3    H244281  -4.044  -0.777   2.349
+ 1265TIP3   OH244282  -3.903  -0.866   2.228
+ 1265TIP3    H144283  -3.923  -0.955   2.264
+ 1265TIP3    H244284  -3.825  -0.842   2.281
+ 1265TIP3   OH244285  -3.612  -0.816   2.331
+ 1265TIP3    H144286  -3.613  -0.912   2.315
+ 1265TIP3    H244287  -3.640  -0.814   2.425
+ 1266TIP3   OH244288  -3.298  -2.227   2.249
+ 1266TIP3    H144289  -3.366  -2.295   2.262
+ 1266TIP3    H244290  -3.237  -2.272   2.188
+ 1266TIP3   OH244291  -2.802  -2.422   2.296
+ 1266TIP3    H144292  -2.725  -2.381   2.253
+ 1266TIP3    H244293  -2.875  -2.396   2.238
+ 1266TIP3   OH244294  -2.594  -2.315   2.082
+ 1266TIP3    H144295  -2.523  -2.357   2.030
+ 1266TIP3    H244296  -2.561  -2.223   2.089
+ 1266TIP3   OH244297  -4.108  -2.369   2.002
+ 1266TIP3    H144298  -4.180  -2.399   1.945
+ 1266TIP3    H244299  -4.045  -2.443   1.992
+ 1266TIP3   OH244300  -4.183  -2.408   1.582
+ 1266TIP3    H144301  -4.130  -2.343   1.533
+ 1266TIP3    H244302  -4.232  -2.351   1.644
+ 1266TIP3   OH244303  -3.616  -2.372   1.993
+ 1266TIP3    H144304  -3.525  -2.343   1.976
+ 1266TIP3    H244305  -3.615  -2.383   2.089
+ 1266TIP3   OH244306  -3.056  -2.368   2.132
+ 1266TIP3    H144307  -3.029  -2.384   2.041
+ 1266TIP3    H244308  -3.093  -2.455   2.157
+ 1266TIP3   OH244309  -2.945  -2.368   1.734
+ 1266TIP3    H144310  -3.027  -2.319   1.715
+ 1266TIP3    H244311  -2.979  -2.459   1.743
+ 1266TIP3   OH244312  -4.191  -0.805   1.689
+ 1266TIP3    H144313  -4.248  -0.824   1.613
+ 1266TIP3    H244314  -4.183  -0.709   1.684
+ 1266TIP3   OH244315  -4.005  -2.220   1.436
+ 1266TIP3    H144316  -3.948  -2.279   1.384
+ 1266TIP3    H244317  -3.943  -2.191   1.506
+ 1267TIP3   OH244318  -3.501  -2.204   1.698
+ 1267TIP3    H144319  -3.464  -2.264   1.765
+ 1267TIP3    H244320  -3.476  -2.118   1.736
+ 1267TIP3   OH244321  -3.264  -0.606   1.510
+ 1267TIP3    H144322  -3.172  -0.637   1.502
+ 1267TIP3    H244323  -3.306  -0.679   1.461
+ 1267TIP3   OH244324  -2.673  -0.716   1.804
+ 1267TIP3    H144325  -2.681  -0.799   1.755
+ 1267TIP3    H244326  -2.635  -0.656   1.739
+ 1267TIP3   OH244327  -4.081  -2.329   2.954
+ 1267TIP3    H144328  -4.126  -2.405   2.994
+ 1267TIP3    H244329  -3.989  -2.343   2.984
+ 1267TIP3   OH244330  -3.847  -2.392   3.130
+ 1267TIP3    H144331  -3.764  -2.426   3.091
+ 1267TIP3    H244332  -3.886  -2.471   3.170
+ 1267TIP3   OH244333  -4.012  -0.707   1.385
+ 1267TIP3    H144334  -4.039  -0.689   1.477
+ 1267TIP3    H244335  -3.943  -0.775   1.397
+ 1267TIP3   OH244336  -3.028  -2.478   3.144
+ 1267TIP3    H144337  -3.030  -2.521   3.231
+ 1267TIP3    H244338  -2.933  -2.485   3.121
+ 1267TIP3   OH244339  -2.694  -0.849   3.015
+ 1267TIP3    H144340  -2.770  -0.868   2.957
+ 1267TIP3    H244341  -2.712  -0.755   3.037
+ 1267TIP3   OH244342  -1.390  -1.543   2.322
+ 1267TIP3    H144343  -1.384  -1.581   2.411
+ 1267TIP3    H244344  -1.423  -1.620   2.272
+ 1267TIP3   OH244345  -2.145  -1.577   2.505
+ 1267TIP3    H144346  -2.143  -1.653   2.566
+ 1267TIP3    H244347  -2.071  -1.525   2.539
+ 1268TIP3   OH244348  -1.058  -1.254   2.163
+ 1268TIP3    H144349  -1.046  -1.331   2.220
+ 1268TIP3    H244350  -0.989  -1.195   2.193
+ 1268TIP3   OH244351  -2.079  -1.117   2.357
+ 1268TIP3    H144352  -2.098  -1.210   2.329
+ 1268TIP3    H244353  -1.984  -1.125   2.373
+ 1268TIP3   OH244354  -2.380  -1.775   1.897
+ 1268TIP3    H144355  -2.418  -1.686   1.900
+ 1268TIP3    H244356  -2.446  -1.824   1.846
+ 1268TIP3   OH244357  -2.296  -1.528   2.080
+ 1268TIP3    H144358  -2.280  -1.613   2.125
+ 1268TIP3    H244359  -2.215  -1.518   2.029
+ 1268TIP3   OH244360  -1.334  -0.771   2.220
+ 1268TIP3    H144361  -1.259  -0.830   2.199
+ 1268TIP3    H244362  -1.346  -0.787   2.315
+ 1268TIP3   OH244363  -1.540  -1.288   2.395
+ 1268TIP3    H144364  -1.507  -1.356   2.335
+ 1268TIP3    H244365  -1.458  -1.270   2.445
+ 1268TIP3   OH244366  -0.656  -2.133   2.443
+ 1268TIP3    H144367  -0.636  -2.071   2.515
+ 1268TIP3    H244368  -0.598  -2.097   2.374
+ 1268TIP3   OH244369  -1.219  -1.854   2.443
+ 1268TIP3    H144370  -1.194  -1.948   2.446
+ 1268TIP3    H244371  -1.213  -1.835   2.348
+ 1268TIP3   OH244372  -1.915  -2.051   2.153
+ 1268TIP3    H144373  -1.899  -1.966   2.107
+ 1268TIP3    H244374  -1.949  -2.103   2.078
+ 1268TIP3   OH244375  -1.126  -2.029   1.982
+ 1268TIP3    H144376  -1.069  -2.073   2.049
+ 1268TIP3    H244377  -1.058  -1.987   1.927
+ 1269TIP3   OH244378  -2.245  -1.779   2.203
+ 1269TIP3    H144379  -2.181  -1.827   2.258
+ 1269TIP3    H244380  -2.237  -1.826   2.119
+ 1269TIP3   OH244381  -1.701  -1.639   2.144
+ 1269TIP3    H144382  -1.636  -1.697   2.189
+ 1269TIP3    H244383  -1.755  -1.705   2.096
+ 1269TIP3   OH244384  -0.602  -1.998   2.705
+ 1269TIP3    H144385  -0.659  -1.925   2.674
+ 1269TIP3    H244386  -0.624  -1.999   2.799
+ 1269TIP3   OH244387  -2.034  -2.173   2.568
+ 1269TIP3    H144388  -2.074  -2.123   2.495
+ 1269TIP3    H244389  -2.099  -2.158   2.639
+ 1269TIP3   OH244390  -1.354  -1.242   1.957
+ 1269TIP3    H144391  -1.282  -1.204   2.009
+ 1269TIP3    H244392  -1.385  -1.163   1.909
+ 1269TIP3   OH244393  -1.740  -1.384   2.581
+ 1269TIP3    H144394  -1.814  -1.323   2.605
+ 1269TIP3    H244395  -1.678  -1.324   2.535
+ 1269TIP3   OH244396  -0.950  -2.114   2.187
+ 1269TIP3    H144397  -0.984  -2.167   2.260
+ 1269TIP3    H244398  -0.892  -2.051   2.234
+ 1269TIP3   OH244399  -2.074  -1.967   2.362
+ 1269TIP3    H144400  -2.008  -1.911   2.408
+ 1269TIP3    H244401  -2.017  -2.004   2.291
+ 1269TIP3   OH244402  -1.942  -1.197   2.654
+ 1269TIP3    H144403  -1.945  -1.106   2.620
+ 1269TIP3    H244404  -2.028  -1.202   2.699
+ 1269TIP3   OH244405  -2.326  -1.213   1.735
+ 1269TIP3    H144406  -2.335  -1.165   1.652
+ 1269TIP3    H244407  -2.303  -1.140   1.797
+ 1270TIP3   OH244408  -0.962  -1.072   2.433
+ 1270TIP3    H144409  -1.058  -1.073   2.416
+ 1270TIP3    H244410  -0.933  -1.004   2.371
+ 1270TIP3   OH244411  -0.924  -2.193   2.567
+ 1270TIP3    H144412  -1.003  -2.153   2.525
+ 1270TIP3    H244413  -0.855  -2.173   2.501
+ 1270TIP3   OH244414  -1.620  -2.424   2.276
+ 1270TIP3    H144415  -1.643  -2.518   2.273
+ 1270TIP3    H244416  -1.701  -2.384   2.313
+ 1270TIP3   OH244417  -1.090  -0.890   2.074
+ 1270TIP3    H144418  -1.059  -0.969   2.027
+ 1270TIP3    H244419  -1.096  -0.826   2.002
+ 1270TIP3   OH244420  -0.835  -1.217   2.786
+ 1270TIP3    H144421  -0.846  -1.284   2.715
+ 1270TIP3    H244422  -0.822  -1.136   2.734
+ 1270TIP3   OH244423  -1.362  -1.721   1.477
+ 1270TIP3    H144424  -1.285  -1.680   1.517
+ 1270TIP3    H244425  -1.334  -1.722   1.383
+ 1270TIP3   OH244426  -0.660  -1.602   2.581
+ 1270TIP3    H144427  -0.730  -1.535   2.584
+ 1270TIP3    H244428  -0.610  -1.574   2.501
+ 1270TIP3   OH244429  -1.086  -1.556   1.889
+ 1270TIP3    H144430  -1.106  -1.463   1.897
+ 1270TIP3    H244431  -0.999  -1.550   1.844
+ 1270TIP3   OH244432  -1.077  -1.675   2.748
+ 1270TIP3    H144433  -1.069  -1.592   2.798
+ 1270TIP3    H244434  -1.137  -1.646   2.678
+ 1270TIP3   OH244435  -1.905  -1.452   2.041
+ 1270TIP3    H144436  -1.935  -1.494   1.957
+ 1270TIP3    H244437  -1.837  -1.515   2.071
+ 1271TIP3   OH244438  -1.768  -1.115   2.319
+ 1271TIP3    H144439  -1.773  -1.143   2.226
+ 1271TIP3    H244440  -1.685  -1.158   2.347
+ 1271TIP3   OH244441  -1.839  -1.572   2.390
+ 1271TIP3    H144442  -1.783  -1.566   2.310
+ 1271TIP3    H244443  -1.800  -1.504   2.448
+ 1271TIP3   OH244444  -1.255  -1.018   2.451
+ 1271TIP3    H144445  -1.240  -0.955   2.524
+ 1271TIP3    H244446  -1.265  -1.103   2.497
+ 1271TIP3   OH244447  -1.756  -1.139   2.874
+ 1271TIP3    H144448  -1.808  -1.072   2.921
+ 1271TIP3    H244449  -1.819  -1.166   2.804
+ 1271TIP3   OH244450  -2.063  -1.497   2.785
+ 1271TIP3    H144451  -2.058  -1.441   2.865
+ 1271TIP3    H244452  -2.158  -1.513   2.778
+ 1271TIP3   OH244453  -1.400  -0.919   1.970
+ 1271TIP3    H144454  -1.382  -0.877   2.054
+ 1271TIP3    H244455  -1.453  -0.854   1.923
+ 1271TIP3   OH244456  -1.946  -0.919   2.956
+ 1271TIP3    H144457  -1.956  -0.916   2.859
+ 1271TIP3    H244458  -2.034  -0.948   2.987
+ 1271TIP3   OH244459  -0.820  -2.414   1.564
+ 1271TIP3    H144460  -0.903  -2.394   1.610
+ 1271TIP3    H244461  -0.782  -2.325   1.551
+ 1271TIP3   OH244462  -2.013  -1.579   1.803
+ 1271TIP3    H144463  -2.022  -1.507   1.737
+ 1271TIP3    H244464  -2.071  -1.645   1.764
+ 1271TIP3   OH244465  -2.406  -1.311   2.668
+ 1271TIP3    H144466  -2.440  -1.317   2.576
+ 1271TIP3    H244467  -2.386  -1.405   2.687
+ 1272TIP3   OH244468  -2.398  -1.021   2.362
+ 1272TIP3    H144469  -2.305  -1.049   2.362
+ 1272TIP3    H244470  -2.397  -0.956   2.434
+ 1272TIP3   OH244471  -0.557  -0.955   2.939
+ 1272TIP3    H144472  -0.563  -1.049   2.914
+ 1272TIP3    H244473  -0.650  -0.936   2.965
+ 1272TIP3   OH244474  -1.492  -1.035   2.818
+ 1272TIP3    H144475  -1.486  -0.951   2.868
+ 1272TIP3    H244476  -1.582  -1.064   2.840
+ 1272TIP3   OH244477  -2.079  -0.740   1.978
+ 1272TIP3    H144478  -2.061  -0.784   2.063
+ 1272TIP3    H244479  -2.167  -0.769   1.956
+ 1272TIP3   OH244480  -0.880  -1.820   2.979
+ 1272TIP3    H144481  -0.927  -1.781   2.904
+ 1272TIP3    H244482  -0.873  -1.913   2.951
+ 1272TIP3   OH244483  -2.184  -1.154   2.795
+ 1272TIP3    H144484  -2.153  -1.203   2.874
+ 1272TIP3    H244485  -2.254  -1.212   2.759
+ 1272TIP3   OH244486  -1.862  -2.310   2.369
+ 1272TIP3    H144487  -1.944  -2.315   2.316
+ 1272TIP3    H244488  -1.884  -2.235   2.426
+ 1272TIP3   OH244489  -1.425  -2.351   2.732
+ 1272TIP3    H144490  -1.372  -2.403   2.796
+ 1272TIP3    H244491  -1.515  -2.385   2.745
+ 1272TIP3   OH244492  -1.110  -1.973   2.783
+ 1272TIP3    H144493  -1.169  -1.987   2.859
+ 1272TIP3    H244494  -1.114  -1.877   2.769
+ 1272TIP3   OH244495  -1.441  -2.102   1.450
+ 1272TIP3    H144496  -1.496  -2.095   1.529
+ 1272TIP3    H244497  -1.492  -2.161   1.393
+ 1273TIP3   OH244498  -1.877  -1.830   2.507
+ 1273TIP3    H144499  -1.931  -1.817   2.586
+ 1273TIP3    H244500  -1.867  -1.738   2.473
+ 1273TIP3   OH244501  -1.880  -1.822   1.996
+ 1273TIP3    H144502  -1.976  -1.829   1.979
+ 1273TIP3    H244503  -1.845  -1.840   1.907
+ 1273TIP3   OH244504  -1.350  -1.716   1.856
+ 1273TIP3    H144505  -1.383  -1.678   1.773
+ 1273TIP3    H244506  -1.258  -1.736   1.829
+ 1273TIP3   OH244507  -1.403  -1.743   3.013
+ 1273TIP3    H144508  -1.453  -1.821   3.046
+ 1273TIP3    H244509  -1.314  -1.759   3.051
+ 1273TIP3   OH244510  -1.245  -1.826   2.139
+ 1273TIP3    H144511  -1.260  -1.766   2.064
+ 1273TIP3    H244512  -1.212  -1.905   2.092
+ 1273TIP3   OH244513  -2.148  -1.810   2.695
+ 1273TIP3    H144514  -2.108  -1.785   2.779
+ 1273TIP3    H244515  -2.176  -1.901   2.714
+ 1273TIP3   OH244516  -1.802  -2.047   1.346
+ 1273TIP3    H144517  -1.844  -2.090   1.422
+ 1273TIP3    H244518  -1.877  -2.039   1.284
+ 1273TIP3   OH244519  -2.460  -2.069   2.059
+ 1273TIP3    H144520  -2.395  -2.070   2.132
+ 1273TIP3    H244521  -2.409  -2.102   1.983
+ 1273TIP3   OH244522  -2.295  -2.017   1.630
+ 1273TIP3    H144523  -2.245  -1.972   1.559
+ 1273TIP3    H244524  -2.368  -1.954   1.641
+ 1273TIP3   OH244525  -1.328  -1.656   2.595
+ 1273TIP3    H144526  -1.284  -1.727   2.543
+ 1273TIP3    H244527  -1.357  -1.704   2.673
+ 1274TIP3   OH244528  -1.605  -2.064   2.099
+ 1274TIP3    H144529  -1.699  -2.066   2.122
+ 1274TIP3    H244530  -1.563  -2.082   2.184
+ 1274TIP3   OH244531  -2.151  -1.942   1.969
+ 1274TIP3    H144532  -2.230  -1.913   1.919
+ 1274TIP3    H244533  -2.120  -2.019   1.918
+ 1274TIP3   OH244534  -1.784  -1.898   1.733
+ 1274TIP3    H144535  -1.687  -1.892   1.734
+ 1274TIP3    H244536  -1.810  -1.847   1.654
+ 1274TIP3   OH244537  -1.165  -2.152   2.405
+ 1274TIP3    H144538  -1.231  -2.148   2.477
+ 1274TIP3    H244539  -1.221  -2.181   2.331
+ 1274TIP3   OH244540  -1.927  -1.786   1.498
+ 1274TIP3    H144541  -1.987  -1.821   1.431
+ 1274TIP3    H244542  -1.848  -1.765   1.446
+ 1274TIP3   OH244543  -0.868  -0.569   3.068
+ 1274TIP3    H144544  -0.844  -0.527   2.983
+ 1274TIP3    H244545  -0.793  -0.543   3.125
+ 1274TIP3   OH244546  -2.075  -1.308   3.010
+ 1274TIP3    H144547  -2.007  -1.301   3.080
+ 1274TIP3    H244548  -2.155  -1.311   3.067
+ 1274TIP3   OH244549  -1.504  -1.808   2.281
+ 1274TIP3    H144550  -1.429  -1.848   2.235
+ 1274TIP3    H244551  -1.516  -1.869   2.356
+ 1274TIP3   OH244552  -1.973  -2.167   1.901
+ 1274TIP3    H144553  -2.029  -2.245   1.911
+ 1274TIP3    H244554  -1.894  -2.203   1.859
+ 1274TIP3   OH244555  -1.608  -1.965   2.507
+ 1274TIP3    H144556  -1.683  -1.904   2.509
+ 1274TIP3    H244557  -1.557  -1.939   2.586
+ 1275TIP3   OH244558  -1.563  -1.378   1.727
+ 1275TIP3    H144559  -1.594  -1.383   1.635
+ 1275TIP3    H244560  -1.575  -1.284   1.744
+ 1275TIP3   OH244561  -0.871  -1.405   2.572
+ 1275TIP3    H144562  -0.818  -1.354   2.507
+ 1275TIP3    H244563  -0.954  -1.420   2.522
+ 1275TIP3   OH244564  -1.182  -2.032   1.498
+ 1275TIP3    H144565  -1.273  -2.018   1.465
+ 1275TIP3    H244566  -1.158  -1.943   1.531
+ 1275TIP3   OH244567  -1.428  -1.323   2.829
+ 1275TIP3    H144568  -1.459  -1.355   2.915
+ 1275TIP3    H244569  -1.458  -1.231   2.828
+ 1275TIP3   OH244570  -1.115  -1.818   1.677
+ 1275TIP3    H144571  -1.034  -1.855   1.717
+ 1275TIP3    H244572  -1.076  -1.746   1.624
+ 1275TIP3   OH244573  -2.078  -1.385   2.278
+ 1275TIP3    H144574  -2.023  -1.395   2.198
+ 1275TIP3    H244575  -2.067  -1.471   2.321
+ 1275TIP3   OH244576  -2.356  -1.555   2.807
+ 1275TIP3    H144577  -2.335  -1.601   2.891
+ 1275TIP3    H244578  -2.411  -1.620   2.760
+ 1275TIP3   OH244579  -1.655  -1.605   3.002
+ 1275TIP3    H144580  -1.687  -1.631   2.914
+ 1275TIP3    H244581  -1.562  -1.635   2.996
+ 1275TIP3   OH244582  -1.201  -1.064   2.775
+ 1275TIP3    H144583  -1.298  -1.057   2.768
+ 1275TIP3    H244584  -1.186  -1.039   2.868
+ 1275TIP3   OH244585  -0.652  -1.843   1.636
+ 1275TIP3    H144586  -0.709  -1.863   1.560
+ 1275TIP3    H244587  -0.647  -1.745   1.629
+ 1276TIP3   OH244588  -0.603  -1.252   2.934
+ 1276TIP3    H144589  -0.696  -1.233   2.911
+ 1276TIP3    H244590  -0.567  -1.276   2.846
+ 1276TIP3   OH244591  -1.100  -1.466   2.403
+ 1276TIP3    H144592  -1.191  -1.479   2.373
+ 1276TIP3    H244593  -1.056  -1.539   2.354
+ 1276TIP3   OH244594  -1.843  -1.045   2.011
+ 1276TIP3    H144595  -1.794  -0.966   1.982
+ 1276TIP3    H244596  -1.927  -1.030   1.967
+ 1276TIP3   OH244597  -2.247  -1.575   1.458
+ 1276TIP3    H144598  -2.188  -1.512   1.504
+ 1276TIP3    H244599  -2.334  -1.546   1.488
+ 1276TIP3   OH244600  -1.661  -1.298   1.989
+ 1276TIP3    H144601  -1.681  -1.204   1.974
+ 1276TIP3    H244602  -1.750  -1.334   2.000
+ 1276TIP3   OH244603  -1.641  -0.861   2.604
+ 1276TIP3    H144604  -1.585  -0.789   2.571
+ 1276TIP3    H244605  -1.578  -0.912   2.656
+ 1276TIP3   OH244606  -1.791  -0.777   1.923
+ 1276TIP3    H144607  -1.880  -0.764   1.886
+ 1276TIP3    H244608  -1.758  -0.686   1.922
+ 1276TIP3   OH244609  -1.299  -1.290   2.558
+ 1276TIP3    H144610  -1.326  -1.318   2.647
+ 1276TIP3    H244611  -1.224  -1.349   2.540
+ 1276TIP3   OH244612  -1.008  -0.828   2.802
+ 1276TIP3    H144613  -1.081  -0.876   2.758
+ 1276TIP3    H244614  -0.995  -0.752   2.742
+ 1276TIP3   OH244615  -2.221  -2.091   2.767
+ 1276TIP3    H144616  -2.312  -2.067   2.740
+ 1276TIP3    H244617  -2.235  -2.179   2.807
+ 1277TIP3   OH244618  -2.248  -0.917   2.608
+ 1277TIP3    H144619  -2.213  -1.007   2.619
+ 1277TIP3    H244620  -2.220  -0.877   2.692
+ 1277TIP3   OH244621  -2.120  -1.380   1.630
+ 1277TIP3    H144622  -2.181  -1.323   1.679
+ 1277TIP3    H244623  -2.054  -1.318   1.595
+ 1277TIP3   OH244624  -1.326  -2.108   2.622
+ 1277TIP3    H144625  -1.261  -2.081   2.689
+ 1277TIP3    H244626  -1.372  -2.183   2.664
+ 1277TIP3   OH244627  -1.260  -2.164   1.738
+ 1277TIP3    H144628  -1.239  -2.114   1.656
+ 1277TIP3    H244629  -1.212  -2.112   1.804
+ 1277TIP3   OH244630  -1.475  -0.973   1.667
+ 1277TIP3    H144631  -1.564  -0.940   1.651
+ 1277TIP3    H244632  -1.423  -0.921   1.604
+ 1277TIP3   OH244633  -1.514  -1.964   1.842
+ 1277TIP3    H144634  -1.443  -1.898   1.852
+ 1277TIP3    H244635  -1.542  -1.979   1.934
+ 1277TIP3   OH244636  -1.485  -1.875   2.759
+ 1277TIP3    H144637  -1.476  -1.822   2.840
+ 1277TIP3    H244638  -1.429  -1.951   2.778
+ 1277TIP3   OH244639  -1.460  -2.265   1.932
+ 1277TIP3    H144640  -1.479  -2.198   2.000
+ 1277TIP3    H244641  -1.386  -2.222   1.885
+ 1277TIP3   OH244642  -1.883  -2.163   1.588
+ 1277TIP3    H144643  -1.893  -2.082   1.641
+ 1277TIP3    H244644  -1.798  -2.197   1.620
+ 1277TIP3   OH244645  -0.856  -2.073   2.847
+ 1277TIP3    H144646  -0.951  -2.060   2.829
+ 1277TIP3    H244647  -0.827  -2.093   2.757
+ 1278TIP3   OH244648  -1.017  -1.688   2.264
+ 1278TIP3    H144649  -1.078  -1.737   2.208
+ 1278TIP3    H244650  -0.948  -1.755   2.283
+ 1278TIP3   OH244651  -2.230  -1.860   1.408
+ 1278TIP3    H144652  -2.221  -1.763   1.419
+ 1278TIP3    H244653  -2.298  -1.865   1.338
+ 1278TIP3   OH244654  -0.909  -0.768   2.400
+ 1278TIP3    H144655  -0.915  -0.719   2.317
+ 1278TIP3    H244656  -0.813  -0.781   2.408
+ 1278TIP3   OH244657  -2.142  -2.352   2.286
+ 1278TIP3    H144658  -2.158  -2.354   2.190
+ 1278TIP3    H244659  -2.175  -2.439   2.315
+ 1278TIP3   OH244660  -2.269  -0.979   1.877
+ 1278TIP3    H144661  -2.334  -0.914   1.905
+ 1278TIP3    H244662  -2.202  -0.926   1.831
+ 1278TIP3   OH244663  -2.311  -0.712   3.028
+ 1278TIP3    H144664  -2.253  -0.740   3.101
+ 1278TIP3    H244665  -2.349  -0.797   3.000
+ 1278TIP3   OH244666  -1.842  -0.806   3.207
+ 1278TIP3    H144667  -1.773  -0.871   3.228
+ 1278TIP3    H244668  -1.865  -0.832   3.116
+ 1278TIP3   OH244669  -1.198  -0.977   3.066
+ 1278TIP3    H144670  -1.237  -1.061   3.099
+ 1278TIP3    H244671  -1.127  -0.960   3.130
+ 1278TIP3   OH244672  -2.316  -1.349   3.140
+ 1278TIP3    H144673  -2.306  -1.440   3.109
+ 1278TIP3    H244674  -2.393  -1.319   3.087
+ 1278TIP3   OH244675  -1.653  -1.330   3.075
+ 1278TIP3    H144676  -1.683  -1.298   2.988
+ 1278TIP3    H244677  -1.645  -1.427   3.060
+ 1279TIP3   OH244678  -1.116  -1.368   2.815
+ 1279TIP3    H144679  -1.037  -1.318   2.790
+ 1279TIP3    H244680  -1.185  -1.300   2.811
+ 1279TIP3   OH244681  -2.230  -1.635   3.057
+ 1279TIP3    H144682  -2.156  -1.699   3.056
+ 1279TIP3    H244683  -2.234  -1.615   3.152
+ 1279TIP3   OH244684  -1.798  -1.494   1.575
+ 1279TIP3    H144685  -1.836  -1.565   1.627
+ 1279TIP3    H244686  -1.754  -1.543   1.503
+ 1279TIP3   OH244687  -1.868  -1.724   2.797
+ 1279TIP3    H144688  -1.916  -1.643   2.821
+ 1279TIP3    H244689  -1.798  -1.689   2.739
+ 1279TIP3   OH244690  -1.661  -1.689   1.399
+ 1279TIP3    H144691  -1.660  -1.678   1.303
+ 1279TIP3    H244692  -1.566  -1.679   1.418
+ 1279TIP3   OH244693  -1.332  -1.451   3.159
+ 1279TIP3    H144694  -1.244  -1.472   3.123
+ 1279TIP3    H244695  -1.359  -1.537   3.194
+ 1279TIP3   OH244696  -1.806  -1.993   2.915
+ 1279TIP3    H144697  -1.797  -2.059   2.844
+ 1279TIP3    H244698  -1.824  -1.913   2.863
+ 1279TIP3   OH244699  -1.772  -2.146   2.661
+ 1279TIP3    H144700  -1.719  -2.095   2.597
+ 1279TIP3    H244701  -1.862  -2.143   2.623
+ 1279TIP3   OH244702  -1.618  -1.602   2.701
+ 1279TIP3    H144703  -1.534  -1.612   2.654
+ 1279TIP3    H244704  -1.647  -1.514   2.669
+ 1279TIP3   OH244705  -1.158  -1.808   3.181
+ 1279TIP3    H144706  -1.136  -1.902   3.190
+ 1279TIP3    H244707  -1.069  -1.770   3.170
+ 1280TIP3   OH244708  -1.063  -1.528   3.030
+ 1280TIP3    H144709  -1.096  -1.468   2.959
+ 1280TIP3    H244710  -0.974  -1.546   2.995
+ 1280TIP3   OH244711  -1.985  -1.808   3.093
+ 1280TIP3    H144712  -2.037  -1.890   3.095
+ 1280TIP3    H244713  -1.903  -1.838   3.050
+ 1280TIP3   OH244714  -1.700  -2.414   2.696
+ 1280TIP3    H144715  -1.716  -2.318   2.679
+ 1280TIP3    H244716  -1.769  -2.455   2.641
+ 1280TIP3   OH244717  -1.574  -1.955   3.075
+ 1280TIP3    H144718  -1.609  -1.979   3.163
+ 1280TIP3    H244719  -1.652  -1.976   3.020
+ 1280TIP3   OH244720  -1.319  -2.051   2.962
+ 1280TIP3    H144721  -1.408  -2.048   3.002
+ 1280TIP3    H244722  -1.273  -2.115   3.019
+ 1280TIP3   OH244723  -1.135  -2.203   3.134
+ 1280TIP3    H144724  -1.150  -2.299   3.149
+ 1280TIP3    H244725  -1.152  -2.163   3.221
+ 1280TIP3   OH244726  -2.118  -2.062   3.078
+ 1280TIP3    H144727  -2.124  -2.133   3.012
+ 1280TIP3    H244728  -2.138  -2.111   3.161
+ 1280TIP3   OH244729  -1.715  -2.464   2.977
+ 1280TIP3    H144730  -1.657  -2.541   2.983
+ 1280TIP3    H244731  -1.717  -2.450   2.880
+ 1280TIP3   OH244732  -1.620  -2.278   3.161
+ 1280TIP3    H144733  -1.650  -2.338   3.090
+ 1280TIP3    H244734  -1.691  -2.211   3.165
+ 1280TIP3   OH244735  -2.443  -0.611   1.941
+ 1280TIP3    H144736  -2.512  -0.654   1.888
+ 1280TIP3    H244737  -2.418  -0.681   2.004
+ 1281TIP3   OH244738  -2.394  -0.819   2.135
+ 1281TIP3    H144739  -2.404  -0.908   2.172
+ 1281TIP3    H244740  -2.349  -0.775   2.209
+ 1281TIP3   OH244741  -0.629  -0.672   2.442
+ 1281TIP3    H144742  -0.603  -0.697   2.532
+ 1281TIP3    H244743  -0.544  -0.664   2.397
+ 1281TIP3   OH244744  -0.640  -0.741   2.731
+ 1281TIP3    H144745  -0.692  -0.812   2.689
+ 1281TIP3    H244746  -0.582  -0.794   2.788
+ 1281TIP3   OH244747  -0.839  -1.196   3.155
+ 1281TIP3    H144748  -0.927  -1.193   3.195
+ 1281TIP3    H244749  -0.795  -1.115   3.186
+ 1281TIP3   OH244750  -0.681  -1.261   2.423
+ 1281TIP3    H144751  -0.623  -1.315   2.366
+ 1281TIP3    H244752  -0.666  -1.172   2.386
+ 1281TIP3   OH244753  -0.810  -0.967   2.647
+ 1281TIP3    H144754  -0.886  -0.933   2.695
+ 1281TIP3    H244755  -0.853  -1.007   2.568
+ 1281TIP3   OH244756  -0.821  -1.712   2.035
+ 1281TIP3    H144757  -0.856  -1.756   1.957
+ 1281TIP3    H244758  -0.889  -1.649   2.058
+ 1281TIP3   OH244759  -2.378  -1.473   2.378
+ 1281TIP3    H144760  -2.354  -1.474   2.284
+ 1281TIP3    H244761  -2.292  -1.498   2.418
+ 1281TIP3   OH244762  -0.801  -1.505   2.926
+ 1281TIP3    H144763  -0.727  -1.569   2.932
+ 1281TIP3    H244764  -0.755  -1.425   2.899
+ 1281TIP3   OH244765  -0.647  -1.698   3.052
+ 1281TIP3    H144766  -0.725  -1.750   3.021
+ 1281TIP3    H244767  -0.575  -1.763   3.042
+ 1282TIP3   OH244768  -0.854  -2.058   1.344
+ 1282TIP3    H144769  -0.797  -2.119   1.392
+ 1282TIP3    H244770  -0.933  -2.108   1.319
+ 1282TIP3   OH244771  -0.888  -1.936   1.822
+ 1282TIP3    H144772  -0.853  -2.027   1.828
+ 1282TIP3    H244773  -0.812  -1.892   1.780
+ 1282TIP3   OH244774  -0.851  -1.896   2.369
+ 1282TIP3    H144775  -0.755  -1.879   2.356
+ 1282TIP3    H244776  -0.858  -1.885   2.465
+ 1282TIP3   OH244777  -0.834  -1.818   2.655
+ 1282TIP3    H144778  -0.920  -1.777   2.675
+ 1282TIP3    H244779  -0.780  -1.741   2.628
+ 1282TIP3   OH244780  -2.385  -1.943   3.017
+ 1282TIP3    H144781  -2.291  -1.969   3.021
+ 1282TIP3    H244782  -2.428  -2.030   3.024
+ 1282TIP3   OH244783  -0.578  -2.405   3.180
+ 1282TIP3    H144784  -0.537  -2.473   3.123
+ 1282TIP3    H244785  -0.576  -2.327   3.121
+ 1282TIP3   OH244786  -0.828  -2.220   1.823
+ 1282TIP3    H144787  -0.811  -2.254   1.912
+ 1282TIP3    H244788  -0.905  -2.273   1.795
+ 1282TIP3   OH244789  -2.309  -2.110   2.301
+ 1282TIP3    H144790  -2.262  -2.195   2.304
+ 1282TIP3    H244791  -2.239  -2.050   2.332
+ 1282TIP3   OH244792  -2.455  -1.841   2.401
+ 1282TIP3    H144793  -2.396  -1.850   2.324
+ 1282TIP3    H244794  -2.414  -1.766   2.447
+ 1282TIP3   OH244795  -0.642  -2.199   3.006
+ 1282TIP3    H144796  -0.730  -2.157   3.005
+ 1282TIP3    H244797  -0.649  -2.254   2.925
+ 1283TIP3   OH244798  -0.632  -2.190   1.493
+ 1283TIP3    H144799  -0.592  -2.260   1.438
+ 1283TIP3    H244800  -0.557  -2.128   1.503
+ 1283TIP3   OH244801  -2.404  -2.205   1.809
+ 1283TIP3    H144802  -2.498  -2.203   1.784
+ 1283TIP3    H244803  -2.363  -2.148   1.741
+ 1283TIP3   OH244804  -2.399  -2.318   2.624
+ 1283TIP3    H144805  -2.471  -2.348   2.681
+ 1283TIP3    H244806  -2.449  -2.268   2.556
+ 1283TIP3   OH244807  -2.201  -1.008   3.091
+ 1283TIP3    H144808  -2.272  -1.014   3.026
+ 1283TIP3    H244809  -2.248  -1.016   3.175
+ 1283TIP3   OH244810  -1.918  -0.911   2.658
+ 1283TIP3    H144811  -1.947  -0.826   2.621
+ 1283TIP3    H244812  -1.822  -0.905   2.640
+ 1283TIP3   OH244813  -1.468  -0.781   2.959
+ 1283TIP3    H144814  -1.450  -0.799   3.053
+ 1283TIP3    H244815  -1.385  -0.737   2.932
+ 1283TIP3   OH244816  -1.240  -0.632   2.881
+ 1283TIP3    H144817  -1.172  -0.696   2.853
+ 1283TIP3    H244818  -1.207  -0.606   2.969
+ 1283TIP3   OH244819  -0.757  -2.378   2.804
+ 1283TIP3    H144820  -0.834  -2.356   2.750
+ 1283TIP3    H244821  -0.732  -2.466   2.770
+ 1283TIP3   OH244822  -2.179  -0.616   2.690
+ 1283TIP3    H144823  -2.240  -0.554   2.645
+ 1283TIP3    H244824  -2.215  -0.614   2.780
+ 1283TIP3   OH244825  -1.930  -0.640   2.548
+ 1283TIP3    H144826  -2.016  -0.620   2.590
+ 1283TIP3    H244827  -1.925  -0.575   2.476
+ 1284TIP3   OH244828  -1.454  -0.640   2.499
+ 1284TIP3    H144829  -1.490  -0.597   2.419
+ 1284TIP3    H244830  -1.445  -0.565   2.559
+ 1284TIP3   OH244831  -1.223  -0.769   2.598
+ 1284TIP3    H144832  -1.306  -0.737   2.560
+ 1284TIP3    H244833  -1.165  -0.693   2.586
+ 1284TIP3   OH244834  -0.966  -0.599   2.618
+ 1284TIP3    H144835  -0.979  -0.509   2.584
+ 1284TIP3    H244836  -0.942  -0.648   2.537
+ 1284TIP3   OH244837  -2.233  -0.739   2.384
+ 1284TIP3    H144838  -2.230  -0.784   2.471
+ 1284TIP3    H244839  -2.153  -0.777   2.342
+ 1284TIP3   OH244840  -2.026  -0.858   2.240
+ 1284TIP3    H144841  -2.032  -0.954   2.257
+ 1284TIP3    H244842  -1.931  -0.841   2.259
+ 1284TIP3   OH244843  -1.745  -0.805   2.315
+ 1284TIP3    H144844  -1.718  -0.894   2.286
+ 1284TIP3    H244845  -1.737  -0.814   2.411
+ 1284TIP3   OH244846  -1.412  -2.226   2.247
+ 1284TIP3    H144847  -1.480  -2.295   2.260
+ 1284TIP3    H244848  -1.347  -2.272   2.190
+ 1284TIP3   OH244849  -0.914  -2.424   2.294
+ 1284TIP3    H144850  -0.837  -2.379   2.253
+ 1284TIP3    H244851  -0.987  -2.392   2.240
+ 1284TIP3   OH244852  -0.710  -2.316   2.075
+ 1284TIP3    H144853  -0.634  -2.352   2.027
+ 1284TIP3    H244854  -0.674  -2.227   2.097
+ 1284TIP3   OH244855  -2.176  -2.358   2.007
+ 1284TIP3    H144856  -2.261  -2.368   1.959
+ 1284TIP3    H244857  -2.133  -2.443   1.988
+ 1285TIP3   OH244858  -2.291  -2.410   1.594
+ 1285TIP3    H144859  -2.240  -2.346   1.539
+ 1285TIP3    H244860  -2.336  -2.351   1.656
+ 1285TIP3   OH244861  -1.728  -2.379   1.988
+ 1285TIP3    H144862  -1.639  -2.342   1.978
+ 1285TIP3    H244863  -1.734  -2.387   2.084
+ 1285TIP3   OH244864  -1.177  -2.367   2.130
+ 1285TIP3    H144865  -1.139  -2.381   2.042
+ 1285TIP3    H244866  -1.205  -2.457   2.154
+ 1285TIP3   OH244867  -1.059  -2.373   1.733
+ 1285TIP3    H144868  -1.137  -2.318   1.710
+ 1285TIP3    H244869  -1.099  -2.461   1.745
+ 1285TIP3   OH244870  -2.131  -2.239   1.448
+ 1285TIP3    H144871  -2.075  -2.263   1.372
+ 1285TIP3    H244872  -2.066  -2.190   1.502
+ 1285TIP3   OH244873  -1.619  -2.224   1.692
+ 1285TIP3    H144874  -1.578  -2.269   1.769
+ 1285TIP3    H244875  -1.595  -2.132   1.715
+ 1285TIP3   OH244876  -1.418  -0.723   1.538
+ 1285TIP3    H144877  -1.378  -0.636   1.541
+ 1285TIP3    H244878  -1.465  -0.722   1.454
+ 1285TIP3   OH244879  -2.197  -2.332   2.957
+ 1285TIP3    H144880  -2.236  -2.414   2.992
+ 1285TIP3    H244881  -2.104  -2.345   2.983
+ 1285TIP3   OH244882  -1.958  -2.393   3.129
+ 1285TIP3    H144883  -1.876  -2.428   3.089
+ 1285TIP3    H244884  -1.992  -2.473   3.174
+ 1285TIP3   OH244885  -1.145  -2.483   3.147
+ 1285TIP3    H144886  -1.142  -2.524   3.235
+ 1285TIP3    H244887  -1.051  -2.486   3.120
+ 1286TIP3   OH244888  -0.815  -0.849   3.022
+ 1286TIP3    H144889  -0.882  -0.869   2.954
+ 1286TIP3    H244890  -0.829  -0.754   3.033
+ 1286TIP3   OH244891   0.615  -1.479   2.025
+ 1286TIP3    H144892   0.614  -1.383   2.038
+ 1286TIP3    H244893   0.544  -1.491   1.961
+ 1286TIP3   OH244894   0.500  -1.538   2.336
+ 1286TIP3    H144895   0.494  -1.593   2.415
+ 1286TIP3    H244896   0.468  -1.598   2.267
+ 1286TIP3   OH244897  -0.264  -1.570   2.512
+ 1286TIP3    H144898  -0.259  -1.652   2.563
+ 1286TIP3    H244899  -0.180  -1.527   2.535
+ 1286TIP3   OH244900   0.865  -1.267   2.166
+ 1286TIP3    H144901   0.826  -1.333   2.224
+ 1286TIP3    H244902   0.889  -1.198   2.229
+ 1286TIP3   OH244903  -0.192  -1.124   2.360
+ 1286TIP3    H144904  -0.214  -1.215   2.331
+ 1286TIP3    H244905  -0.096  -1.133   2.369
+ 1286TIP3   OH244906  -0.521  -1.755   1.891
+ 1286TIP3    H144907  -0.576  -1.676   1.904
+ 1286TIP3    H244908  -0.577  -1.804   1.829
+ 1286TIP3   OH244909  -0.416  -1.514   2.098
+ 1286TIP3    H144910  -0.440  -1.606   2.114
+ 1286TIP3    H244911  -0.347  -1.524   2.033
+ 1286TIP3   OH244912   0.583  -0.697   2.248
+ 1286TIP3    H144913   0.615  -0.750   2.174
+ 1286TIP3    H244914   0.551  -0.764   2.309
+ 1286TIP3   OH244915   0.342  -1.285   2.398
+ 1286TIP3    H144916   0.372  -1.352   2.334
+ 1286TIP3    H244917   0.426  -1.270   2.445
+ 1287TIP3   OH244918   1.214  -2.136   2.459
+ 1287TIP3    H144919   1.236  -2.072   2.528
+ 1287TIP3    H244920   1.272  -2.106   2.386
+ 1287TIP3   OH244921   0.678  -1.852   2.446
+ 1287TIP3    H144922   0.687  -1.949   2.450
+ 1287TIP3    H244923   0.668  -1.838   2.350
+ 1287TIP3   OH244924   0.758  -2.037   1.981
+ 1287TIP3    H144925   0.815  -2.078   2.049
+ 1287TIP3    H244926   0.823  -1.988   1.929
+ 1287TIP3   OH244927  -0.320  -1.778   2.224
+ 1287TIP3    H144928  -0.282  -1.855   2.271
+ 1287TIP3    H244929  -0.331  -1.816   2.136
+ 1287TIP3   OH244930   0.177  -1.637   2.148
+ 1287TIP3    H144931   0.247  -1.693   2.188
+ 1287TIP3    H244932   0.124  -1.704   2.099
+ 1287TIP3   OH244933   1.286  -1.995   2.707
+ 1287TIP3    H144934   1.227  -1.925   2.676
+ 1287TIP3    H244935   1.261  -2.001   2.800
+ 1287TIP3   OH244936  -0.139  -2.151   2.568
+ 1287TIP3    H144937  -0.185  -2.127   2.484
+ 1287TIP3    H244938  -0.211  -2.135   2.631
+ 1287TIP3   OH244939   0.593  -1.193   1.907
+ 1287TIP3    H144940   0.574  -1.214   1.814
+ 1287TIP3    H244941   0.558  -1.104   1.915
+ 1287TIP3   OH244942   0.149  -1.383   2.584
+ 1287TIP3    H144943   0.074  -1.325   2.606
+ 1287TIP3    H244944   0.208  -1.324   2.534
+ 1287TIP3   OH244945   0.941  -2.112   2.188
+ 1287TIP3    H144946   0.897  -2.168   2.253
+ 1287TIP3    H244947   0.990  -2.050   2.244
+ 1288TIP3   OH244948  -0.054  -1.196   2.658
+ 1288TIP3    H144949  -0.061  -1.106   2.620
+ 1288TIP3    H244950  -0.142  -1.206   2.696
+ 1288TIP3   OH244951   0.922  -1.079   2.422
+ 1288TIP3    H144952   0.824  -1.070   2.420
+ 1288TIP3    H244953   0.948  -0.995   2.380
+ 1288TIP3   OH244954   0.953  -2.194   2.572
+ 1288TIP3    H144955   0.875  -2.156   2.527
+ 1288TIP3    H244956   1.024  -2.177   2.508
+ 1288TIP3   OH244957   0.257  -2.419   2.290
+ 1288TIP3    H144958   0.238  -2.513   2.274
+ 1288TIP3    H244959   0.169  -2.385   2.313
+ 1288TIP3   OH244960   0.780  -0.889   2.082
+ 1288TIP3    H144961   0.803  -0.961   2.021
+ 1288TIP3    H244962   0.761  -0.816   2.023
+ 1288TIP3   OH244963   0.900  -1.114   1.913
+ 1288TIP3    H144964   0.831  -1.156   1.860
+ 1288TIP3    H244965   0.893  -1.164   1.997
+ 1288TIP3   OH244966   1.053  -1.219   2.786
+ 1288TIP3    H144967   1.038  -1.283   2.714
+ 1288TIP3    H244968   1.061  -1.135   2.737
+ 1288TIP3   OH244969   0.503  -1.531   1.724
+ 1288TIP3    H144970   0.432  -1.469   1.698
+ 1288TIP3    H244971   0.570  -1.506   1.659
+ 1288TIP3   OH244972   1.228  -1.600   2.578
+ 1288TIP3    H144973   1.154  -1.537   2.587
+ 1288TIP3    H244974   1.273  -1.564   2.500
+ 1288TIP3   OH244975   0.819  -1.541   1.832
+ 1288TIP3    H144976   0.757  -1.508   1.900
+ 1288TIP3    H244977   0.889  -1.580   1.888
+ 1289TIP3   OH244978   0.812  -1.675   2.748
+ 1289TIP3    H144979   0.816  -1.592   2.798
+ 1289TIP3    H244980   0.746  -1.648   2.681
+ 1289TIP3   OH244981  -0.007  -1.453   2.017
+ 1289TIP3    H144982  -0.035  -1.516   1.949
+ 1289TIP3    H244983   0.049  -1.510   2.072
+ 1289TIP3   OH244984   0.120  -1.117   2.297
+ 1289TIP3    H144985   0.130  -1.162   2.211
+ 1289TIP3    H244986   0.199  -1.153   2.343
+ 1289TIP3   OH244987   0.043  -1.572   2.392
+ 1289TIP3    H144988   0.101  -1.570   2.314
+ 1289TIP3    H244989   0.086  -1.509   2.452
+ 1289TIP3   OH244990   0.637  -1.020   2.450
+ 1289TIP3    H144991   0.641  -0.953   2.520
+ 1289TIP3    H244992   0.617  -1.102   2.498
+ 1289TIP3   OH244993   0.129  -1.140   2.874
+ 1289TIP3    H144994   0.077  -1.071   2.920
+ 1289TIP3    H244995   0.068  -1.167   2.803
+ 1289TIP3   OH244996  -0.171  -1.497   2.788
+ 1289TIP3    H144997  -0.174  -1.443   2.869
+ 1289TIP3    H244998  -0.266  -1.512   2.770
+ 1289TIP3   OH244999  -0.062  -0.916   2.956
+ 1289TIP3    H145000  -0.069  -0.914   2.859
+ 1289TIP3    H245001  -0.149  -0.950   2.984
+ 1289TIP3   OH245002   1.067  -2.411   1.561
+ 1289TIP3    H145003   0.980  -2.399   1.605
+ 1289TIP3    H245004   1.103  -2.321   1.561
+ 1289TIP3   OH245005  -0.120  -1.555   1.734
+ 1289TIP3    H145006  -0.159  -1.481   1.780
+ 1289TIP3    H245007  -0.174  -1.631   1.762
+ 1290TIP3   OH245008  -0.517  -1.309   2.668
+ 1290TIP3    H145009  -0.557  -1.308   2.578
+ 1290TIP3    H245010  -0.501  -1.405   2.680
+ 1290TIP3   OH245011  -0.510  -1.008   2.357
+ 1290TIP3    H145012  -0.419  -1.043   2.353
+ 1290TIP3    H245013  -0.507  -0.955   2.437
+ 1290TIP3   OH245014   1.329  -0.957   2.938
+ 1290TIP3    H145015   1.317  -1.051   2.919
+ 1290TIP3    H245016   1.238  -0.933   2.966
+ 1290TIP3   OH245017   0.394  -1.036   2.819
+ 1290TIP3    H145018   0.400  -0.951   2.868
+ 1290TIP3    H245019   0.303  -1.064   2.839
+ 1290TIP3   OH245020   1.009  -1.820   2.978
+ 1290TIP3    H145021   0.955  -1.780   2.908
+ 1290TIP3    H245022   1.012  -1.913   2.950
+ 1290TIP3   OH245023  -0.303  -1.150   2.798
+ 1290TIP3    H145024  -0.268  -1.205   2.872
+ 1290TIP3    H245025  -0.369  -1.208   2.757
+ 1290TIP3   OH245026  -0.016  -2.324   2.351
+ 1290TIP3    H145027  -0.098  -2.316   2.299
+ 1290TIP3    H245028  -0.024  -2.243   2.404
+ 1290TIP3   OH245029   0.461  -2.350   2.732
+ 1290TIP3    H145030   0.513  -2.404   2.795
+ 1290TIP3    H245031   0.370  -2.383   2.745
+ 1290TIP3   OH245032   0.779  -1.971   2.786
+ 1290TIP3    H145033   0.715  -1.987   2.858
+ 1290TIP3    H245034   0.769  -1.875   2.769
+ 1290TIP3   OH245035   0.008  -1.853   2.504
+ 1290TIP3    H145036  -0.075  -1.856   2.553
+ 1290TIP3    H245037  -0.008  -1.778   2.444
+ 1291TIP3   OH245038   0.004  -1.805   1.986
+ 1291TIP3    H145039  -0.087  -1.840   1.998
+ 1291TIP3    H245040   0.034  -1.865   1.916
+ 1291TIP3   OH245041   0.562  -1.767   1.872
+ 1291TIP3    H145042   0.525  -1.683   1.839
+ 1291TIP3    H245043   0.637  -1.776   1.812
+ 1291TIP3   OH245044   0.483  -1.745   3.011
+ 1291TIP3    H145045   0.433  -1.821   3.045
+ 1291TIP3    H245046   0.571  -1.759   3.051
+ 1291TIP3   OH245047   0.654  -1.827   2.155
+ 1291TIP3    H145048   0.623  -1.767   2.085
+ 1291TIP3    H245049   0.672  -1.907   2.102
+ 1291TIP3   OH245050  -0.271  -1.807   2.701
+ 1291TIP3    H145051  -0.220  -1.788   2.781
+ 1291TIP3    H245052  -0.294  -1.900   2.714
+ 1291TIP3   OH245053  -0.554  -2.083   2.086
+ 1291TIP3    H145054  -0.475  -2.077   2.142
+ 1291TIP3    H245055  -0.518  -2.102   1.999
+ 1291TIP3   OH245056  -0.421  -2.018   1.620
+ 1291TIP3    H145057  -0.362  -1.970   1.558
+ 1291TIP3    H245058  -0.487  -1.950   1.637
+ 1291TIP3   OH245059   0.562  -1.658   2.600
+ 1291TIP3    H145060   0.605  -1.730   2.548
+ 1291TIP3    H245061   0.525  -1.707   2.674
+ 1291TIP3   OH245062   0.249  -2.067   2.104
+ 1291TIP3    H145063   0.154  -2.059   2.123
+ 1291TIP3    H245064   0.287  -2.076   2.193
+ 1291TIP3   OH245065  -0.262  -1.916   1.943
+ 1291TIP3    H145066  -0.355  -1.911   1.917
+ 1291TIP3    H245067  -0.238  -2.008   1.924
+ 1292TIP3   OH245068   0.123  -1.917   1.717
+ 1292TIP3    H145069   0.209  -1.891   1.754
+ 1292TIP3    H245070   0.083  -1.834   1.688
+ 1292TIP3   OH245071   0.719  -2.151   2.400
+ 1292TIP3    H145072   0.655  -2.149   2.474
+ 1292TIP3    H245073   0.660  -2.183   2.329
+ 1292TIP3   OH245074  -0.082  -1.840   1.510
+ 1292TIP3    H145075  -0.123  -1.827   1.423
+ 1292TIP3    H245076  -0.026  -1.763   1.517
+ 1292TIP3   OH245077   1.020  -0.571   3.068
+ 1292TIP3    H145078   1.041  -0.526   2.985
+ 1292TIP3    H245079   1.090  -0.540   3.127
+ 1292TIP3   OH245080  -0.191  -1.306   3.012
+ 1292TIP3    H145081  -0.121  -1.301   3.081
+ 1292TIP3    H245082  -0.270  -1.311   3.068
+ 1292TIP3   OH245083   0.382  -1.809   2.277
+ 1292TIP3    H145084   0.458  -1.856   2.239
+ 1292TIP3    H245085   0.360  -1.865   2.354
+ 1292TIP3   OH245086  -0.084  -2.157   1.904
+ 1292TIP3    H145087  -0.143  -2.227   1.938
+ 1292TIP3    H245088  -0.021  -2.206   1.851
+ 1292TIP3   OH245089   0.271  -1.947   2.508
+ 1292TIP3    H145090   0.183  -1.904   2.509
+ 1292TIP3    H245091   0.310  -1.919   2.593
+ 1292TIP3   OH245092   0.286  -1.333   1.736
+ 1292TIP3    H145093   0.224  -1.377   1.676
+ 1292TIP3    H245094   0.257  -1.355   1.824
+ 1292TIP3   OH245095   1.016  -1.409   2.570
+ 1292TIP3    H145096   1.065  -1.353   2.506
+ 1292TIP3    H245097   0.930  -1.421   2.525
+ 1293TIP3   OH245098   0.658  -2.021   1.501
+ 1293TIP3    H145099   0.581  -1.970   1.476
+ 1293TIP3    H245100   0.719  -1.949   1.531
+ 1293TIP3   OH245101   0.461  -1.322   2.830
+ 1293TIP3    H145102   0.428  -1.355   2.914
+ 1293TIP3    H245103   0.428  -1.231   2.828
+ 1293TIP3   OH245104   0.780  -1.827   1.649
+ 1293TIP3    H145105   0.859  -1.849   1.703
+ 1293TIP3    H245106   0.805  -1.742   1.611
+ 1293TIP3   OH245107  -0.186  -1.388   2.278
+ 1293TIP3    H145108  -0.138  -1.403   2.195
+ 1293TIP3    H245109  -0.192  -1.477   2.315
+ 1293TIP3   OH245110   0.580  -1.216   1.608
+ 1293TIP3    H145111   0.589  -1.265   1.525
+ 1293TIP3    H245112   0.541  -1.133   1.578
+ 1293TIP3   OH245113  -0.479  -1.553   2.813
+ 1293TIP3    H145114  -0.450  -1.606   2.889
+ 1293TIP3    H245115  -0.522  -1.618   2.755
+ 1293TIP3   OH245116   0.227  -1.609   2.999
+ 1293TIP3    H145117   0.198  -1.630   2.908
+ 1293TIP3    H245118   0.320  -1.637   2.993
+ 1293TIP3   OH245119   0.686  -1.064   2.776
+ 1293TIP3    H145120   0.589  -1.057   2.767
+ 1293TIP3    H245121   0.699  -1.038   2.868
+ 1293TIP3   OH245122   1.235  -1.837   1.650
+ 1293TIP3    H145123   1.184  -1.857   1.569
+ 1293TIP3    H245124   1.257  -1.745   1.631
+ 1293TIP3   OH245125   1.283  -1.254   2.932
+ 1293TIP3    H145126   1.189  -1.233   2.913
+ 1293TIP3    H245127   1.316  -1.273   2.842
+ 1294TIP3   OH245128   1.121  -0.947   1.776
+ 1294TIP3    H145129   1.054  -1.016   1.787
+ 1294TIP3    H245130   1.117  -0.926   1.682
+ 1294TIP3   OH245131   0.781  -1.466   2.402
+ 1294TIP3    H145132   0.688  -1.480   2.376
+ 1294TIP3    H245133   0.826  -1.536   2.350
+ 1294TIP3   OH245134  -0.379  -1.498   1.469
+ 1294TIP3    H145135  -0.327  -1.555   1.525
+ 1294TIP3    H245136  -0.471  -1.520   1.498
+ 1294TIP3   OH245137   0.190  -1.237   2.040
+ 1294TIP3    H145138   0.182  -1.175   1.967
+ 1294TIP3    H245139   0.130  -1.310   2.016
+ 1294TIP3   OH245140   0.244  -0.861   2.602
+ 1294TIP3    H145141   0.298  -0.786   2.569
+ 1294TIP3    H245142   0.310  -0.909   2.655
+ 1294TIP3   OH245143   0.587  -1.286   2.560
+ 1294TIP3    H145144   0.557  -1.316   2.647
+ 1294TIP3    H245145   0.659  -1.349   2.540
+ 1294TIP3   OH245146   0.880  -0.829   2.798
+ 1294TIP3    H145147   0.804  -0.875   2.757
+ 1294TIP3    H245148   0.889  -0.750   2.741
+ 1294TIP3   OH245149  -0.339  -2.087   2.776
+ 1294TIP3    H145150  -0.426  -2.066   2.737
+ 1294TIP3    H245151  -0.352  -2.181   2.799
+ 1294TIP3   OH245152   0.940  -1.296   1.652
+ 1294TIP3    H145153   0.885  -1.357   1.702
+ 1294TIP3    H245154   1.015  -1.281   1.711
+ 1294TIP3   OH245155  -0.365  -0.911   2.605
+ 1294TIP3    H145156  -0.332  -1.002   2.606
+ 1294TIP3    H245157  -0.329  -0.878   2.688
+ 1295TIP3   OH245158   0.562  -2.109   2.619
+ 1295TIP3    H145159   0.621  -2.082   2.691
+ 1295TIP3    H245160   0.510  -2.181   2.660
+ 1295TIP3   OH245161   0.635  -2.168   1.733
+ 1295TIP3    H145162   0.651  -2.104   1.661
+ 1295TIP3    H245163   0.667  -2.119   1.811
+ 1295TIP3   OH245164   0.371  -1.972   1.851
+ 1295TIP3    H145165   0.441  -1.905   1.866
+ 1295TIP3    H245166   0.331  -1.981   1.939
+ 1295TIP3   OH245167   0.400  -1.873   2.758
+ 1295TIP3    H145168   0.408  -1.821   2.840
+ 1295TIP3    H245169   0.454  -1.950   2.777
+ 1295TIP3   OH245170   0.427  -2.263   1.941
+ 1295TIP3    H145171   0.399  -2.193   2.002
+ 1295TIP3    H245172   0.491  -2.214   1.886
+ 1295TIP3   OH245173  -0.001  -2.161   1.590
+ 1295TIP3    H145174  -0.003  -2.072   1.630
+ 1295TIP3    H245175   0.087  -2.192   1.613
+ 1295TIP3   OH245176   1.031  -2.073   2.845
+ 1295TIP3    H145177   0.935  -2.059   2.832
+ 1295TIP3    H245178   1.055  -2.095   2.754
+ 1295TIP3   OH245179   0.886  -1.688   2.246
+ 1295TIP3    H145180   0.803  -1.730   2.219
+ 1295TIP3    H245181   0.932  -1.761   2.293
+ 1295TIP3   OH245182  -0.368  -1.850   1.395
+ 1295TIP3    H145183  -0.343  -1.757   1.397
+ 1295TIP3    H245184  -0.459  -1.844   1.363
+ 1295TIP3   OH245185   0.984  -0.795   2.396
+ 1295TIP3    H145186   0.957  -0.725   2.335
+ 1295TIP3    H245187   1.079  -0.777   2.405
+ 1296TIP3   OH245188  -0.428  -0.712   3.031
+ 1296TIP3    H145189  -0.365  -0.745   3.099
+ 1296TIP3    H245190  -0.463  -0.797   2.996
+ 1296TIP3   OH245191   0.038  -0.808   3.208
+ 1296TIP3    H145192   0.111  -0.868   3.228
+ 1296TIP3    H245193   0.020  -0.832   3.115
+ 1296TIP3   OH245194   0.689  -0.977   3.067
+ 1296TIP3    H145195   0.652  -1.061   3.101
+ 1296TIP3    H245196   0.760  -0.958   3.131
+ 1296TIP3   OH245197  -0.433  -1.349   3.143
+ 1296TIP3    H145198  -0.420  -1.439   3.109
+ 1296TIP3    H245199  -0.506  -1.319   3.085
+ 1296TIP3   OH245200   0.229  -1.332   3.075
+ 1296TIP3    H145201   0.202  -1.298   2.988
+ 1296TIP3    H245202   0.238  -1.428   3.058
+ 1296TIP3   OH245203   0.770  -1.369   2.815
+ 1296TIP3    H145204   0.847  -1.314   2.792
+ 1296TIP3    H245205   0.698  -1.303   2.811
+ 1296TIP3   OH245206  -0.344  -1.635   3.058
+ 1296TIP3    H145207  -0.270  -1.698   3.054
+ 1296TIP3    H245208  -0.349  -1.618   3.153
+ 1296TIP3   OH245209   0.024  -1.729   2.791
+ 1296TIP3    H145210  -0.029  -1.649   2.811
+ 1296TIP3    H245211   0.085  -1.694   2.724
+ 1296TIP3   OH245212   0.553  -1.451   3.159
+ 1296TIP3    H145213   0.641  -1.471   3.125
+ 1296TIP3    H245214   0.527  -1.537   3.195
+ 1296TIP3   OH245215   0.082  -1.991   2.914
+ 1296TIP3    H145216   0.089  -2.059   2.845
+ 1296TIP3    H245217   0.061  -1.913   2.861
+ 1297TIP3   OH245218   0.124  -2.149   2.660
+ 1297TIP3    H145219   0.173  -2.092   2.599
+ 1297TIP3    H245220   0.032  -2.141   2.626
+ 1297TIP3   OH245221   0.272  -1.599   2.703
+ 1297TIP3    H145222   0.352  -1.609   2.650
+ 1297TIP3    H245223   0.238  -1.514   2.670
+ 1297TIP3   OH245224   0.726  -1.809   3.178
+ 1297TIP3    H145225   0.748  -1.902   3.193
+ 1297TIP3    H245226   0.814  -1.769   3.173
+ 1297TIP3   OH245227   0.824  -1.529   3.028
+ 1297TIP3    H145228   0.789  -1.469   2.960
+ 1297TIP3    H245229   0.913  -1.546   2.991
+ 1297TIP3   OH245230  -0.097  -1.808   3.092
+ 1297TIP3    H145231  -0.150  -1.890   3.092
+ 1297TIP3    H245232  -0.016  -1.838   3.048
+ 1297TIP3   OH245233   0.188  -2.416   2.697
+ 1297TIP3    H145234   0.172  -2.321   2.680
+ 1297TIP3    H245235   0.118  -2.457   2.642
+ 1297TIP3   OH245236   0.313  -1.958   3.075
+ 1297TIP3    H145237   0.275  -1.978   3.162
+ 1297TIP3    H245238   0.234  -1.974   3.018
+ 1297TIP3   OH245239   0.567  -2.052   2.960
+ 1297TIP3    H145240   0.478  -2.046   3.000
+ 1297TIP3    H245241   0.612  -2.115   3.020
+ 1297TIP3   OH245242   0.753  -2.204   3.134
+ 1297TIP3    H145243   0.735  -2.298   3.151
+ 1297TIP3    H245244   0.733  -2.162   3.220
+ 1297TIP3   OH245245  -0.226  -2.063   3.080
+ 1297TIP3    H145246  -0.240  -2.128   3.010
+ 1297TIP3    H245247  -0.256  -2.112   3.159
+ 1298TIP3   OH245248   0.169  -2.466   2.977
+ 1298TIP3    H145249   0.231  -2.540   2.981
+ 1298TIP3    H245250   0.165  -2.450   2.881
+ 1298TIP3   OH245251   0.263  -2.280   3.164
+ 1298TIP3    H145252   0.235  -2.338   3.091
+ 1298TIP3    H245253   0.196  -2.210   3.163
+ 1298TIP3   OH245254  -0.511  -0.785   2.122
+ 1298TIP3    H145255  -0.525  -0.881   2.120
+ 1298TIP3    H245256  -0.459  -0.773   2.201
+ 1298TIP3   OH245257   1.257  -0.687   2.437
+ 1298TIP3    H145258   1.273  -0.690   2.533
+ 1298TIP3    H245259   1.342  -0.654   2.404
+ 1298TIP3   OH245260   1.247  -0.742   2.725
+ 1298TIP3    H145261   1.193  -0.815   2.689
+ 1298TIP3    H245262   1.300  -0.791   2.790
+ 1298TIP3   OH245263   1.046  -1.200   3.155
+ 1298TIP3    H145264   0.957  -1.192   3.194
+ 1298TIP3    H245265   1.090  -1.119   3.185
+ 1298TIP3   OH245266   1.238  -1.510   1.894
+ 1298TIP3    H145267   1.159  -1.546   1.937
+ 1298TIP3    H245268   1.292  -1.477   1.968
+ 1298TIP3   OH245269   1.207  -1.263   2.427
+ 1298TIP3    H145270   1.265  -1.311   2.365
+ 1298TIP3    H245271   1.212  -1.173   2.392
+ 1298TIP3   OH245272   1.076  -0.973   2.649
+ 1298TIP3    H145273   1.002  -0.931   2.696
+ 1298TIP3    H245274   1.031  -1.005   2.568
+ 1298TIP3   OH245275   1.092  -1.813   1.398
+ 1298TIP3    H145276   1.110  -1.749   1.328
+ 1298TIP3    H245277   1.066  -1.893   1.349
+ 1299TIP3   OH245278   1.023  -1.686   1.995
+ 1299TIP3    H145279   1.015  -1.781   1.979
+ 1299TIP3    H245280   0.987  -1.677   2.085
+ 1299TIP3   OH245281  -0.493  -1.476   2.375
+ 1299TIP3    H145282  -0.471  -1.475   2.279
+ 1299TIP3    H245283  -0.405  -1.502   2.412
+ 1299TIP3   OH245284   1.085  -1.507   2.921
+ 1299TIP3    H145285   1.159  -1.568   2.939
+ 1299TIP3    H245286   1.130  -1.424   2.902
+ 1299TIP3   OH245287   1.241  -1.697   3.042
+ 1299TIP3    H145288   1.161  -1.749   3.020
+ 1299TIP3    H245289   1.311  -1.765   3.040
+ 1299TIP3   OH245290   1.018  -2.094   1.325
+ 1299TIP3    H145291   1.087  -2.128   1.384
+ 1299TIP3    H245292   0.940  -2.141   1.354
+ 1299TIP3   OH245293   1.002  -1.941   1.819
+ 1299TIP3    H145294   1.032  -2.034   1.825
+ 1299TIP3    H245295   1.080  -1.899   1.780
+ 1299TIP3   OH245296   1.035  -1.892   2.368
+ 1299TIP3    H145297   1.131  -1.879   2.366
+ 1299TIP3    H245298   1.019  -1.887   2.464
+ 1299TIP3   OH245299   1.052  -1.820   2.650
+ 1299TIP3    H145300   0.966  -1.783   2.677
+ 1299TIP3    H245301   1.103  -1.739   2.629
+ 1299TIP3   OH245302  -0.500  -1.943   3.024
+ 1299TIP3    H145303  -0.407  -1.969   3.013
+ 1299TIP3    H245304  -0.544  -2.030   3.024
+ 1299TIP3   OH245305   1.309  -2.404   3.180
+ 1299TIP3    H145306   1.348  -2.473   3.123
+ 1299TIP3    H245307   1.310  -2.326   3.120
+ 1300TIP3   OH245308   1.059  -2.225   1.823
+ 1300TIP3    H145309   1.069  -2.257   1.915
+ 1300TIP3    H245310   0.981  -2.276   1.794
+ 1300TIP3   OH245311  -0.567  -1.839   2.395
+ 1300TIP3    H145312  -0.501  -1.864   2.327
+ 1300TIP3    H245313  -0.521  -1.764   2.434
+ 1300TIP3   OH245314   1.245  -2.200   3.004
+ 1300TIP3    H145315   1.158  -2.157   3.010
+ 1300TIP3    H245316   1.231  -2.254   2.924
+ 1300TIP3   OH245317   1.252  -2.181   1.490
+ 1300TIP3    H145318   1.283  -2.256   1.436
+ 1300TIP3    H245319   1.331  -2.125   1.492
+ 1300TIP3   OH245320  -0.521  -2.203   1.810
+ 1300TIP3    H145321  -0.615  -2.196   1.786
+ 1300TIP3    H245322  -0.478  -2.145   1.744
+ 1300TIP3   OH245323   1.036  -0.655   1.966
+ 1300TIP3    H145324   1.013  -0.729   1.907
+ 1300TIP3    H245325   0.980  -0.674   2.042
+ 1300TIP3   OH245326  -0.513  -2.323   2.631
+ 1300TIP3    H145327  -0.594  -2.342   2.680
+ 1300TIP3    H245328  -0.547  -2.270   2.556
+ 1300TIP3   OH245329  -0.316  -1.005   3.093
+ 1300TIP3    H145330  -0.381  -1.019   3.023
+ 1300TIP3    H245331  -0.368  -1.015   3.173
+ 1300TIP3   OH245332  -0.032  -0.909   2.661
+ 1300TIP3    H145333  -0.060  -0.825   2.620
+ 1300TIP3    H245334   0.064  -0.904   2.641
+ 1300TIP3   OH245335   0.418  -0.780   2.960
+ 1300TIP3    H145336   0.437  -0.800   3.053
+ 1300TIP3    H245337   0.500  -0.736   2.931
+ 1301TIP3   OH245338   0.647  -0.634   2.883
+ 1301TIP3    H145339   0.715  -0.698   2.856
+ 1301TIP3    H245340   0.679  -0.607   2.971
+ 1301TIP3   OH245341   1.132  -2.376   2.802
+ 1301TIP3    H145342   1.052  -2.355   2.751
+ 1301TIP3    H245343   1.153  -2.466   2.769
+ 1301TIP3   OH245344  -0.290  -0.615   2.695
+ 1301TIP3    H145345  -0.349  -0.556   2.645
+ 1301TIP3    H245346  -0.333  -0.616   2.781
+ 1301TIP3   OH245347  -0.038  -0.636   2.551
+ 1301TIP3    H145348  -0.127  -0.619   2.589
+ 1301TIP3    H245349  -0.037  -0.578   2.473
+ 1301TIP3   OH245350   0.420  -0.642   2.502
+ 1301TIP3    H145351   0.391  -0.602   2.417
+ 1301TIP3    H245352   0.439  -0.562   2.553
+ 1301TIP3   OH245353   0.659  -0.766   2.598
+ 1301TIP3    H145354   0.577  -0.737   2.555
+ 1301TIP3    H245355   0.716  -0.690   2.583
+ 1301TIP3   OH245356   0.920  -0.596   2.614
+ 1301TIP3    H145357   0.911  -0.503   2.586
+ 1301TIP3    H245358   0.940  -0.639   2.529
+ 1301TIP3   OH245359  -0.339  -0.715   2.388
+ 1301TIP3    H145360  -0.340  -0.772   2.468
+ 1301TIP3    H245361  -0.267  -0.760   2.338
+ 1301TIP3   OH245362  -0.144  -0.857   2.262
+ 1301TIP3    H145363  -0.154  -0.954   2.267
+ 1301TIP3    H245364  -0.047  -0.846   2.269
+ 1301TIP3   OH245365   0.133  -0.818   2.314
+ 1301TIP3    H145366   0.159  -0.909   2.291
+ 1301TIP3    H245367   0.148  -0.817   2.410
+ 1302TIP3   OH245368   0.472  -2.223   2.248
+ 1302TIP3    H145369   0.401  -2.287   2.265
+ 1302TIP3    H245370   0.528  -2.269   2.184
+ 1302TIP3   OH245371   0.970  -2.425   2.294
+ 1302TIP3    H145372   1.045  -2.380   2.252
+ 1302TIP3    H245373   0.894  -2.395   2.240
+ 1302TIP3   OH245374   1.178  -2.316   2.082
+ 1302TIP3    H145375   1.249  -2.356   2.029
+ 1302TIP3    H245376   1.209  -2.223   2.090
+ 1302TIP3   OH245377  -0.275  -2.353   1.999
+ 1302TIP3    H145378  -0.367  -2.370   1.973
+ 1302TIP3    H245379  -0.243  -2.443   2.016
+ 1302TIP3   OH245380  -0.409  -2.407   1.589
+ 1302TIP3    H145381  -0.358  -2.341   1.539
+ 1302TIP3    H245382  -0.449  -2.352   1.658
+ 1302TIP3   OH245383   0.166  -2.388   1.986
+ 1302TIP3    H145384   0.252  -2.343   1.982
+ 1302TIP3    H245385   0.143  -2.376   2.079
+ 1302TIP3   OH245386   0.719  -2.369   2.134
+ 1302TIP3    H145387   0.741  -2.384   2.041
+ 1302TIP3    H245388   0.676  -2.454   2.158
+ 1302TIP3   OH245389   0.830  -2.371   1.732
+ 1302TIP3    H145390   0.750  -2.316   1.722
+ 1302TIP3    H245391   0.792  -2.459   1.746
+ 1302TIP3   OH245392  -0.243  -2.230   1.436
+ 1302TIP3    H145393  -0.176  -2.269   1.378
+ 1302TIP3    H245394  -0.186  -2.181   1.499
+ 1302TIP3   OH245395   0.320  -2.209   1.653
+ 1302TIP3    H145396   0.301  -2.267   1.729
+ 1302TIP3    H245397   0.306  -2.122   1.695
+ 1303TIP3   OH245398  -0.314  -2.333   2.961
+ 1303TIP3    H145399  -0.349  -2.417   2.995
+ 1303TIP3    H245400  -0.219  -2.343   2.980
+ 1303TIP3   OH245401  -0.070  -2.392   3.133
+ 1303TIP3    H145402   0.012  -2.426   3.090
+ 1303TIP3    H245403  -0.106  -2.473   3.171
+ 1303TIP3   OH245404   0.740  -2.484   3.147
+ 1303TIP3    H145405   0.744  -2.524   3.236
+ 1303TIP3    H245406   0.833  -2.486   3.120
+ 1303TIP3   OH245407   1.077  -0.848   3.016
+ 1303TIP3    H145408   1.004  -0.868   2.954
+ 1303TIP3    H245409   1.058  -0.754   3.036
+ 1303TIP3   OH245410   2.496  -1.478   2.030
+ 1303TIP3    H145411   2.497  -1.381   2.035
+ 1303TIP3    H245412   2.424  -1.494   1.967
+ 1303TIP3   OH245413   2.376  -1.537   2.337
+ 1303TIP3    H145414   2.382  -1.591   2.418
+ 1303TIP3    H245415   2.357  -1.604   2.270
+ 1303TIP3   OH245416   1.634  -1.573   2.498
+ 1303TIP3    H145417   1.626  -1.649   2.560
+ 1303TIP3    H245418   1.700  -1.519   2.544
+ 1303TIP3   OH245419   2.755  -1.260   2.167
+ 1303TIP3    H145420   2.714  -1.332   2.216
+ 1303TIP3    H245421   2.774  -1.197   2.238
+ 1303TIP3   OH245422   1.693  -1.121   2.351
+ 1303TIP3    H145423   1.671  -1.210   2.318
+ 1303TIP3    H245424   1.787  -1.133   2.374
+ 1303TIP3   OH245425   1.386  -1.772   1.903
+ 1303TIP3    H145426   1.350  -1.681   1.906
+ 1303TIP3    H245427   1.321  -1.815   1.846
+ 1304TIP3   OH245428   1.461  -1.522   2.084
+ 1304TIP3    H145429   1.474  -1.611   2.122
+ 1304TIP3    H245430   1.539  -1.512   2.029
+ 1304TIP3   OH245431   2.461  -0.725   2.227
+ 1304TIP3    H145432   2.518  -0.799   2.199
+ 1304TIP3    H245433   2.427  -0.758   2.311
+ 1304TIP3   OH245434   2.233  -1.286   2.389
+ 1304TIP3    H145435   2.267  -1.362   2.338
+ 1304TIP3    H245436   2.311  -1.270   2.445
+ 1304TIP3   OH245437   3.096  -2.133   2.455
+ 1304TIP3    H145438   3.119  -2.078   2.531
+ 1304TIP3    H245439   3.162  -2.102   2.390
+ 1304TIP3   OH245440   2.561  -1.850   2.443
+ 1304TIP3    H145441   2.573  -1.946   2.454
+ 1304TIP3    H245442   2.549  -1.844   2.346
+ 1304TIP3   OH245443   1.858  -2.050   2.152
+ 1304TIP3    H145444   1.865  -1.966   2.105
+ 1304TIP3    H245445   1.824  -2.107   2.080
+ 1304TIP3   OH245446   2.642  -2.032   1.986
+ 1304TIP3    H145447   2.701  -2.076   2.051
+ 1304TIP3    H245448   2.708  -1.990   1.929
+ 1304TIP3   OH245449   1.530  -1.774   2.203
+ 1304TIP3    H145450   1.587  -1.829   2.259
+ 1304TIP3    H245451   1.531  -1.824   2.119
+ 1304TIP3   OH245452   2.064  -1.627   2.115
+ 1304TIP3    H145453   2.131  -1.674   2.169
+ 1304TIP3    H245454   1.996  -1.696   2.105
+ 1304TIP3   OH245455   3.174  -1.989   2.707
+ 1304TIP3    H145456   3.104  -1.926   2.682
+ 1304TIP3    H245457   3.145  -2.010   2.797
+ 1305TIP3   OH245458   1.739  -2.172   2.568
+ 1305TIP3    H145459   1.696  -2.123   2.496
+ 1305TIP3    H245460   1.673  -2.159   2.639
+ 1305TIP3   OH245461   2.479  -1.198   1.897
+ 1305TIP3    H145462   2.464  -1.210   1.801
+ 1305TIP3    H245463   2.437  -1.111   1.912
+ 1305TIP3   OH245464   2.030  -1.383   2.579
+ 1305TIP3    H145465   1.957  -1.324   2.607
+ 1305TIP3    H245466   2.093  -1.320   2.539
+ 1305TIP3   OH245467   2.829  -2.111   2.188
+ 1305TIP3    H145468   2.785  -2.170   2.250
+ 1305TIP3    H245469   2.877  -2.050   2.247
+ 1305TIP3   OH245470   1.697  -1.969   2.363
+ 1305TIP3    H145471   1.762  -1.911   2.410
+ 1305TIP3    H245472   1.755  -2.006   2.293
+ 1305TIP3   OH245473   1.829  -1.198   2.652
+ 1305TIP3    H145474   1.826  -1.105   2.622
+ 1305TIP3    H245475   1.743  -1.204   2.697
+ 1305TIP3   OH245476   2.807  -1.080   2.417
+ 1305TIP3    H145477   2.709  -1.072   2.422
+ 1305TIP3    H245478   2.830  -0.993   2.381
+ 1305TIP3   OH245479   2.840  -2.188   2.573
+ 1305TIP3    H145480   2.761  -2.152   2.527
+ 1305TIP3    H245481   2.910  -2.174   2.507
+ 1305TIP3   OH245482   2.152  -2.423   2.278
+ 1305TIP3    H145483   2.129  -2.518   2.272
+ 1305TIP3    H245484   2.070  -2.385   2.314
+ 1305TIP3   OH245485   2.655  -0.890   2.095
+ 1305TIP3    H145486   2.681  -0.967   2.043
+ 1305TIP3    H245487   2.663  -0.818   2.032
+ 1306TIP3   OH245488   2.796  -1.093   1.925
+ 1306TIP3    H145489   2.750  -1.140   1.854
+ 1306TIP3    H245490   2.783  -1.155   1.999
+ 1306TIP3   OH245491   2.935  -1.219   2.786
+ 1306TIP3    H145492   2.924  -1.285   2.715
+ 1306TIP3    H245493   2.947  -1.136   2.736
+ 1306TIP3   OH245494   2.346  -1.523   1.753
+ 1306TIP3    H145495   2.294  -1.457   1.704
+ 1306TIP3    H245496   2.426  -1.525   1.697
+ 1306TIP3   OH245497   2.391  -1.732   1.484
+ 1306TIP3    H145498   2.459  -1.673   1.519
+ 1306TIP3    H245499   2.431  -1.758   1.401
+ 1306TIP3   OH245500   3.114  -1.600   2.578
+ 1306TIP3    H145501   3.039  -1.538   2.589
+ 1306TIP3    H245502   3.157  -1.563   2.498
+ 1306TIP3   OH245503   2.717  -1.526   1.867
+ 1306TIP3    H145504   2.646  -1.506   1.932
+ 1306TIP3    H245505   2.771  -1.589   1.918
+ 1306TIP3   OH245506   2.697  -1.676   2.747
+ 1306TIP3    H145507   2.701  -1.595   2.801
+ 1306TIP3    H245508   2.631  -1.647   2.681
+ 1306TIP3   OH245509   2.005  -1.115   2.319
+ 1306TIP3    H145510   2.000  -1.136   2.225
+ 1306TIP3    H245511   2.087  -1.159   2.347
+ 1306TIP3   OH245512   1.935  -1.566   2.386
+ 1306TIP3    H145513   2.000  -1.556   2.316
+ 1306TIP3    H245514   1.969  -1.505   2.454
+ 1306TIP3   OH245515   2.529  -1.021   2.448
+ 1306TIP3    H145516   2.527  -0.953   2.518
+ 1306TIP3    H245517   2.502  -1.102   2.495
+ 1307TIP3   OH245518   2.015  -1.138   2.872
+ 1307TIP3    H145519   1.964  -1.073   2.923
+ 1307TIP3    H245520   1.950  -1.165   2.805
+ 1307TIP3   OH245521   2.606  -1.586   1.614
+ 1307TIP3    H145522   2.658  -1.552   1.689
+ 1307TIP3    H245523   2.646  -1.536   1.538
+ 1307TIP3   OH245524   1.708  -1.498   2.783
+ 1307TIP3    H145525   1.713  -1.442   2.863
+ 1307TIP3    H245526   1.612  -1.513   2.777
+ 1307TIP3   OH245527   2.359  -0.924   1.967
+ 1307TIP3    H145528   2.399  -0.884   2.044
+ 1307TIP3    H245529   2.312  -0.849   1.927
+ 1307TIP3   OH245530   1.825  -0.921   2.955
+ 1307TIP3    H145531   1.813  -0.918   2.859
+ 1307TIP3    H245532   1.737  -0.947   2.988
+ 1307TIP3   OH245533   2.953  -2.411   1.561
+ 1307TIP3    H145534   2.864  -2.402   1.598
+ 1307TIP3    H245535   2.986  -2.320   1.565
+ 1307TIP3   OH245536   3.063  -0.989   1.462
+ 1307TIP3    H145537   3.092  -0.896   1.461
+ 1307TIP3    H245538   3.146  -1.039   1.456
+ 1307TIP3   OH245539   1.372  -1.309   2.667
+ 1307TIP3    H145540   1.326  -1.307   2.581
+ 1307TIP3    H245541   1.383  -1.405   2.682
+ 1307TIP3   OH245542   1.378  -1.014   2.359
+ 1307TIP3    H145543   1.469  -1.045   2.366
+ 1307TIP3    H245544   1.370  -0.957   2.437
+ 1307TIP3   OH245545   3.213  -0.957   2.934
+ 1307TIP3    H145546   3.203  -1.053   2.922
+ 1307TIP3    H245547   3.124  -0.932   2.966
+ 1308TIP3   OH245548   2.279  -1.033   2.816
+ 1308TIP3    H145549   2.286  -0.952   2.870
+ 1308TIP3    H245550   2.189  -1.064   2.840
+ 1308TIP3   OH245551   2.299  -0.649   1.827
+ 1308TIP3    H145552   2.298  -0.657   1.729
+ 1308TIP3    H245553   2.325  -0.557   1.840
+ 1308TIP3   OH245554   1.642  -0.692   1.980
+ 1308TIP3    H145555   1.687  -0.740   2.052
+ 1308TIP3    H245556   1.590  -0.769   1.945
+ 1308TIP3   OH245557   2.648  -0.725   1.492
+ 1308TIP3    H145558   2.678  -0.800   1.437
+ 1308TIP3    H245559   2.633  -0.762   1.578
+ 1308TIP3   OH245560   2.598  -0.741   1.845
+ 1308TIP3    H145561   2.515  -0.708   1.806
+ 1308TIP3    H245562   2.593  -0.834   1.824
+ 1308TIP3   OH245563   2.892  -1.821   2.979
+ 1308TIP3    H145564   2.845  -1.787   2.902
+ 1308TIP3    H245565   2.908  -1.914   2.953
+ 1308TIP3   OH245566   1.590  -1.155   2.790
+ 1308TIP3    H145567   1.616  -1.201   2.872
+ 1308TIP3    H245568   1.515  -1.209   2.758
+ 1308TIP3   OH245569   1.910  -2.307   2.368
+ 1308TIP3    H145570   1.828  -2.315   2.316
+ 1308TIP3    H245571   1.884  -2.236   2.428
+ 1308TIP3   OH245572   2.346  -2.351   2.732
+ 1308TIP3    H145573   2.398  -2.403   2.796
+ 1308TIP3    H245574   2.256  -2.384   2.745
+ 1308TIP3   OH245575   2.657  -1.975   2.778
+ 1308TIP3    H145576   2.609  -1.992   2.861
+ 1308TIP3    H245577   2.659  -1.878   2.772
+ 1309TIP3   OH245578   2.773  -1.493   1.411
+ 1309TIP3    H145579   2.733  -1.492   1.322
+ 1309TIP3    H245580   2.855  -1.444   1.397
+ 1309TIP3   OH245581   2.330  -2.104   1.460
+ 1309TIP3    H145582   2.277  -2.114   1.540
+ 1309TIP3    H245583   2.284  -2.166   1.400
+ 1309TIP3   OH245584   1.895  -1.830   2.508
+ 1309TIP3    H145585   1.839  -1.821   2.587
+ 1309TIP3    H245586   1.901  -1.737   2.476
+ 1309TIP3   OH245587   1.882  -1.793   1.972
+ 1309TIP3    H145588   1.789  -1.821   1.968
+ 1309TIP3    H245589   1.918  -1.843   1.895
+ 1309TIP3   OH245590   2.451  -1.760   1.875
+ 1309TIP3    H145591   2.407  -1.683   1.833
+ 1309TIP3    H245592   2.518  -1.781   1.808
+ 1309TIP3   OH245593   2.368  -1.745   3.011
+ 1309TIP3    H145594   2.319  -1.821   3.046
+ 1309TIP3    H245595   2.457  -1.758   3.050
+ 1309TIP3   OH245596   2.532  -1.825   2.153
+ 1309TIP3    H145597   2.505  -1.769   2.077
+ 1309TIP3    H245598   2.555  -1.907   2.105
+ 1309TIP3   OH245599   1.629  -1.812   2.691
+ 1309TIP3    H145600   1.658  -1.782   2.778
+ 1309TIP3    H245601   1.594  -1.900   2.711
+ 1309TIP3   OH245602   1.972  -2.055   1.350
+ 1309TIP3    H145603   1.932  -2.093   1.431
+ 1309TIP3    H245604   1.894  -2.035   1.297
+ 1309TIP3   OH245605   1.312  -2.069   2.059
+ 1309TIP3    H145606   1.375  -2.072   2.133
+ 1309TIP3    H245607   1.363  -2.105   1.984
+ 1310TIP3   OH245608   1.470  -2.017   1.632
+ 1310TIP3    H145609   1.521  -1.972   1.561
+ 1310TIP3    H245610   1.399  -1.952   1.646
+ 1310TIP3   OH245611   2.445  -1.658   2.597
+ 1310TIP3    H145612   2.490  -1.731   2.548
+ 1310TIP3    H245613   2.413  -1.705   2.675
+ 1310TIP3   OH245614   2.166  -2.062   2.100
+ 1310TIP3    H145615   2.072  -2.072   2.122
+ 1310TIP3    H245616   2.208  -2.083   2.185
+ 1310TIP3   OH245617   1.624  -1.938   1.965
+ 1310TIP3    H145618   1.541  -1.910   1.923
+ 1310TIP3    H245619   1.648  -2.018   1.916
+ 1310TIP3   OH245620   1.990  -1.892   1.740
+ 1310TIP3    H145621   2.086  -1.902   1.731
+ 1310TIP3    H245622   1.962  -1.856   1.654
+ 1310TIP3   OH245623   2.605  -2.148   2.399
+ 1310TIP3    H145624   2.544  -2.148   2.477
+ 1310TIP3    H245625   2.545  -2.182   2.331
+ 1310TIP3   OH245626   1.844  -1.784   1.516
+ 1310TIP3    H145627   1.772  -1.805   1.455
+ 1310TIP3    H245628   1.916  -1.762   1.454
+ 1310TIP3   OH245629   2.905  -0.571   3.069
+ 1310TIP3    H145630   2.930  -0.526   2.987
+ 1310TIP3    H245631   2.974  -0.542   3.130
+ 1310TIP3   OH245632   1.697  -1.309   3.010
+ 1310TIP3    H145633   1.764  -1.300   3.081
+ 1310TIP3    H245634   1.616  -1.312   3.065
+ 1310TIP3   OH245635   2.259  -1.799   2.274
+ 1310TIP3    H145636   2.332  -1.844   2.230
+ 1310TIP3    H245637   2.242  -1.859   2.350
+ 1311TIP3   OH245638   1.801  -2.167   1.903
+ 1311TIP3    H145639   1.741  -2.243   1.913
+ 1311TIP3    H245640   1.877  -2.207   1.858
+ 1311TIP3   OH245641   2.168  -1.957   2.501
+ 1311TIP3    H145642   2.088  -1.904   2.510
+ 1311TIP3    H245643   2.217  -1.937   2.584
+ 1311TIP3   OH245644   2.170  -1.320   1.686
+ 1311TIP3    H145645   2.090  -1.363   1.652
+ 1311TIP3    H245646   2.152  -1.307   1.780
+ 1311TIP3   OH245647   2.902  -1.408   2.569
+ 1311TIP3    H145648   2.950  -1.353   2.503
+ 1311TIP3    H245649   2.816  -1.420   2.526
+ 1311TIP3   OH245650   2.595  -2.039   1.475
+ 1311TIP3    H145651   2.497  -2.042   1.468
+ 1311TIP3    H245652   2.610  -1.964   1.536
+ 1311TIP3   OH245653   2.343  -1.322   2.828
+ 1311TIP3    H145654   2.315  -1.356   2.914
+ 1311TIP3    H245655   2.312  -1.231   2.830
+ 1311TIP3   OH245656   2.662  -1.858   1.683
+ 1311TIP3    H145657   2.753  -1.871   1.717
+ 1311TIP3    H245658   2.666  -1.770   1.640
+ 1311TIP3   OH245659   1.709  -1.393   2.255
+ 1311TIP3    H145660   1.790  -1.408   2.206
+ 1311TIP3    H245661   1.703  -1.474   2.309
+ 1311TIP3   OH245662   2.428  -1.195   1.615
+ 1311TIP3    H145663   2.391  -1.105   1.611
+ 1311TIP3    H245664   2.352  -1.246   1.581
+ 1311TIP3   OH245665   1.420  -1.558   2.805
+ 1311TIP3    H145666   1.434  -1.602   2.891
+ 1311TIP3    H245667   1.357  -1.617   2.760
+ 1312TIP3   OH245668   2.117  -1.605   3.002
+ 1312TIP3    H145669   2.083  -1.633   2.915
+ 1312TIP3    H245670   2.209  -1.635   2.996
+ 1312TIP3   OH245671   2.570  -1.060   2.775
+ 1312TIP3    H145672   2.473  -1.055   2.770
+ 1312TIP3    H245673   2.586  -1.039   2.868
+ 1312TIP3   OH245674   3.123  -1.861   1.653
+ 1312TIP3    H145675   3.068  -1.878   1.575
+ 1312TIP3    H245676   3.136  -1.765   1.640
+ 1312TIP3   OH245677   3.168  -1.254   2.932
+ 1312TIP3    H145678   3.073  -1.234   2.916
+ 1312TIP3    H245679   3.199  -1.272   2.842
+ 1312TIP3   OH245680   2.668  -1.464   2.400
+ 1312TIP3    H145681   2.575  -1.479   2.377
+ 1312TIP3    H245682   2.711  -1.537   2.351
+ 1312TIP3   OH245683   1.929  -1.060   2.019
+ 1312TIP3    H145684   1.974  -0.980   1.987
+ 1312TIP3    H245685   1.845  -1.051   1.970
+ 1312TIP3   OH245686   1.520  -1.571   1.485
+ 1312TIP3    H145687   1.586  -1.505   1.512
+ 1312TIP3    H245688   1.439  -1.521   1.497
+ 1312TIP3   OH245689   2.066  -1.326   1.964
+ 1312TIP3    H145690   2.092  -1.232   1.962
+ 1312TIP3    H245691   2.000  -1.320   2.033
+ 1312TIP3   OH245692   2.131  -0.862   2.601
+ 1312TIP3    H145693   2.186  -0.787   2.574
+ 1312TIP3    H245694   2.191  -0.910   2.659
+ 1312TIP3   OH245695   1.968  -0.769   1.933
+ 1312TIP3    H145696   1.875  -0.755   1.914
+ 1312TIP3    H245697   2.000  -0.678   1.946
+ 1313TIP3   OH245698   2.471  -1.287   2.559
+ 1313TIP3    H145699   2.441  -1.314   2.648
+ 1313TIP3    H245700   2.545  -1.347   2.543
+ 1313TIP3   OH245701   2.700  -1.161   1.453
+ 1313TIP3    H145702   2.724  -1.210   1.533
+ 1313TIP3    H245703   2.603  -1.168   1.456
+ 1313TIP3   OH245704   2.767  -0.831   2.796
+ 1313TIP3    H145705   2.690  -0.878   2.758
+ 1313TIP3    H245706   2.773  -0.751   2.743
+ 1313TIP3   OH245707   3.165  -0.727   1.509
+ 1313TIP3    H145708   3.229  -0.663   1.475
+ 1313TIP3    H245709   3.086  -0.670   1.512
+ 1313TIP3   OH245710   1.550  -2.092   2.766
+ 1313TIP3    H145711   1.459  -2.066   2.741
+ 1313TIP3    H245712   1.535  -2.179   2.807
+ 1313TIP3   OH245713   2.786  -1.291   1.692
+ 1313TIP3    H145714   2.763  -1.367   1.748
+ 1313TIP3    H245715   2.883  -1.287   1.699
+ 1313TIP3   OH245716   1.529  -0.915   2.604
+ 1313TIP3    H145717   1.555  -1.007   2.620
+ 1313TIP3    H245718   1.548  -0.876   2.690
+ 1313TIP3   OH245719   2.122  -1.049   1.306
+ 1313TIP3    H145720   2.166  -1.113   1.246
+ 1313TIP3    H245721   2.058  -1.105   1.352
+ 1313TIP3   OH245722   1.973  -1.086   1.661
+ 1313TIP3    H145723   2.033  -1.153   1.629
+ 1313TIP3    H245724   1.969  -1.024   1.587
+ 1313TIP3   OH245725   1.687  -1.356   1.652
+ 1313TIP3    H145726   1.597  -1.322   1.665
+ 1313TIP3    H245727   1.716  -1.286   1.591
+ 1314TIP3   OH245728   2.449  -2.107   2.622
+ 1314TIP3    H145729   2.513  -2.080   2.690
+ 1314TIP3    H245730   2.401  -2.180   2.665
+ 1314TIP3   OH245731   2.510  -2.164   1.748
+ 1314TIP3    H145732   2.525  -2.112   1.668
+ 1314TIP3    H245733   2.557  -2.112   1.815
+ 1314TIP3   OH245734   2.297  -0.944   1.643
+ 1314TIP3    H145735   2.209  -0.906   1.652
+ 1314TIP3    H245736   2.333  -0.887   1.572
+ 1314TIP3   OH245737   2.252  -1.965   1.842
+ 1314TIP3    H145738   2.329  -1.906   1.855
+ 1314TIP3    H245739   2.224  -1.982   1.934
+ 1314TIP3   OH245740   2.289  -1.874   2.757
+ 1314TIP3    H145741   2.294  -1.823   2.840
+ 1314TIP3    H245742   2.343  -1.951   2.779
+ 1314TIP3   OH245743   2.311  -2.264   1.936
+ 1314TIP3    H145744   2.292  -2.194   2.002
+ 1314TIP3    H245745   2.383  -2.222   1.885
+ 1314TIP3   OH245746   2.009  -0.780   1.608
+ 1314TIP3    H145747   2.063  -0.703   1.590
+ 1314TIP3    H245748   2.003  -0.784   1.704
+ 1314TIP3   OH245749   1.883  -2.165   1.589
+ 1314TIP3    H145750   1.882  -2.089   1.649
+ 1314TIP3    H245751   1.965  -2.210   1.615
+ 1314TIP3   OH245752   2.932  -2.065   2.846
+ 1314TIP3    H145753   2.838  -2.084   2.850
+ 1314TIP3    H245754   2.953  -2.111   2.764
+ 1314TIP3   OH245755   2.768  -1.690   2.247
+ 1314TIP3    H145756   2.684  -1.734   2.223
+ 1314TIP3    H245757   2.816  -1.760   2.296
+ 1315TIP3   OH245758   1.533  -1.855   1.415
+ 1315TIP3    H145759   1.542  -1.759   1.426
+ 1315TIP3    H245760   1.467  -1.860   1.343
+ 1315TIP3   OH245761   2.871  -0.804   2.382
+ 1315TIP3    H145762   2.852  -0.719   2.338
+ 1315TIP3    H245763   2.960  -0.787   2.416
+ 1315TIP3   OH245764   1.632  -2.353   2.286
+ 1315TIP3    H145765   1.613  -2.355   2.190
+ 1315TIP3    H245766   1.597  -2.439   2.316
+ 1315TIP3   OH245767   1.532  -0.939   1.889
+ 1315TIP3    H145768   1.437  -0.959   1.888
+ 1315TIP3    H245769   1.557  -0.966   1.799
+ 1315TIP3   OH245770   1.461  -0.712   3.027
+ 1315TIP3    H145771   1.518  -0.740   3.101
+ 1315TIP3    H245772   1.421  -0.798   3.000
+ 1315TIP3   OH245773   1.929  -0.806   3.206
+ 1315TIP3    H145774   1.998  -0.870   3.228
+ 1315TIP3    H245775   1.906  -0.833   3.116
+ 1315TIP3   OH245776   2.341  -0.883   1.346
+ 1315TIP3    H145777   2.259  -0.936   1.332
+ 1315TIP3    H245778   2.397  -0.926   1.278
+ 1315TIP3   OH245779   2.579  -0.980   3.063
+ 1315TIP3    H145780   2.538  -1.060   3.102
+ 1315TIP3    H245781   2.646  -0.957   3.130
+ 1315TIP3   OH245782   2.801  -0.894   1.347
+ 1315TIP3    H145783   2.827  -0.978   1.386
+ 1315TIP3    H245784   2.868  -0.875   1.280
+ 1315TIP3   OH245785   1.456  -1.349   3.140
+ 1315TIP3    H145786   1.464  -1.440   3.107
+ 1315TIP3    H245787   1.378  -1.319   3.089
+ 1316TIP3   OH245788   1.935  -1.309   1.369
+ 1316TIP3    H145789   1.871  -1.379   1.381
+ 1316TIP3    H245790   1.945  -1.307   1.273
+ 1316TIP3   OH245791   2.119  -1.330   3.074
+ 1316TIP3    H145792   2.087  -1.298   2.988
+ 1316TIP3    H245793   2.126  -1.427   3.060
+ 1316TIP3   OH245794   2.655  -1.369   2.812
+ 1316TIP3    H145795   2.733  -1.313   2.796
+ 1316TIP3    H245796   2.585  -1.303   2.813
+ 1316TIP3   OH245797   1.542  -1.635   3.057
+ 1316TIP3    H145798   1.615  -1.700   3.058
+ 1316TIP3    H245799   1.536  -1.614   3.152
+ 1316TIP3   OH245800   1.984  -1.536   1.630
+ 1316TIP3    H145801   1.892  -1.560   1.613
+ 1316TIP3    H245802   2.019  -1.550   1.539
+ 1316TIP3   OH245803   1.906  -1.724   2.799
+ 1316TIP3    H145804   1.854  -1.645   2.821
+ 1316TIP3    H245805   1.973  -1.687   2.740
+ 1316TIP3   OH245806   2.078  -1.693   1.388
+ 1316TIP3    H145807   2.073  -1.669   1.293
+ 1316TIP3    H245808   2.174  -1.692   1.402
+ 1316TIP3   OH245809   2.438  -1.452   3.155
+ 1316TIP3    H145810   2.529  -1.471   3.127
+ 1316TIP3    H245811   2.412  -1.536   3.196
+ 1316TIP3   OH245812   3.045  -1.446   1.328
+ 1316TIP3    H145813   3.011  -1.483   1.245
+ 1316TIP3    H245814   3.023  -1.351   1.315
+ 1316TIP3   OH245815   1.967  -1.993   2.915
+ 1316TIP3    H145816   1.973  -2.059   2.844
+ 1316TIP3    H245817   1.945  -1.913   2.864
+ 1317TIP3   OH245818   2.000  -2.146   2.660
+ 1317TIP3    H145819   2.051  -2.095   2.594
+ 1317TIP3    H245820   1.909  -2.144   2.624
+ 1317TIP3   OH245821   2.153  -1.602   2.699
+ 1317TIP3    H145822   2.238  -1.612   2.654
+ 1317TIP3    H245823   2.125  -1.514   2.670
+ 1317TIP3   OH245824   2.614  -1.810   3.179
+ 1317TIP3    H145825   2.636  -1.903   3.191
+ 1317TIP3    H245826   2.702  -1.770   3.173
+ 1317TIP3   OH245827   2.709  -1.529   3.027
+ 1317TIP3    H145828   2.677  -1.468   2.958
+ 1317TIP3    H245829   2.798  -1.550   2.991
+ 1317TIP3   OH245830   1.788  -1.809   3.095
+ 1317TIP3    H145831   1.734  -1.890   3.095
+ 1317TIP3    H245832   1.869  -1.839   3.050
+ 1317TIP3   OH245833   2.072  -2.414   2.696
+ 1317TIP3    H145834   2.055  -2.319   2.679
+ 1317TIP3    H245835   2.002  -2.455   2.641
+ 1317TIP3   OH245836   2.198  -1.956   3.075
+ 1317TIP3    H145837   2.163  -1.978   3.163
+ 1317TIP3    H245838   2.118  -1.976   3.020
+ 1317TIP3   OH245839   2.452  -2.052   2.961
+ 1317TIP3    H145840   2.364  -2.048   3.003
+ 1317TIP3    H245841   2.500  -2.114   3.020
+ 1317TIP3   OH245842   2.629  -2.201   3.132
+ 1317TIP3    H145843   2.626  -2.297   3.148
+ 1317TIP3    H245844   2.622  -2.162   3.221
+ 1317TIP3   OH245845   1.656  -2.063   3.078
+ 1317TIP3    H145846   1.645  -2.133   3.012
+ 1317TIP3    H245847   1.631  -2.110   3.160
+ 1318TIP3   OH245848   2.056  -2.466   2.977
+ 1318TIP3    H145849   2.117  -2.541   2.981
+ 1318TIP3    H245850   2.052  -2.450   2.881
+ 1318TIP3   OH245851   2.149  -2.280   3.164
+ 1318TIP3    H145852   2.119  -2.338   3.091
+ 1318TIP3    H245853   2.081  -2.210   3.164
+ 1318TIP3   OH245854   1.343  -0.615   1.915
+ 1318TIP3    H145855   1.262  -0.646   1.871
+ 1318TIP3    H245856   1.347  -0.682   1.988
+ 1318TIP3   OH245857   1.385  -0.800   2.134
+ 1318TIP3    H145858   1.359  -0.892   2.148
+ 1318TIP3    H245859   1.415  -0.778   2.223
+ 1318TIP3   OH245860   3.145  -0.682   2.435
+ 1318TIP3    H145861   3.154  -0.691   2.531
+ 1318TIP3    H245862   3.235  -0.661   2.408
+ 1318TIP3   OH245863   3.132  -0.742   2.722
+ 1318TIP3    H145864   3.078  -0.817   2.692
+ 1318TIP3    H245865   3.185  -0.786   2.790
+ 1318TIP3   OH245866   2.931  -1.199   3.153
+ 1318TIP3    H145867   2.843  -1.193   3.194
+ 1318TIP3    H245868   2.977  -1.120   3.187
+ 1318TIP3   OH245869   3.084  -1.304   1.732
+ 1318TIP3    H145870   3.175  -1.281   1.755
+ 1318TIP3    H245871   3.064  -1.372   1.799
+ 1318TIP3   OH245872   3.117  -1.512   1.924
+ 1318TIP3    H145873   3.047  -1.569   1.963
+ 1318TIP3    H245874   3.183  -1.506   1.996
+ 1318TIP3   OH245875   3.089  -1.265   2.422
+ 1318TIP3    H145876   3.155  -1.312   2.368
+ 1318TIP3    H245877   3.100  -1.173   2.393
+ 1319TIP3   OH245878   2.961  -0.969   2.643
+ 1319TIP3    H145879   2.890  -0.932   2.698
+ 1319TIP3    H245880   2.912  -1.009   2.569
+ 1319TIP3   OH245881   3.154  -1.564   1.579
+ 1319TIP3    H145882   3.098  -1.543   1.503
+ 1319TIP3    H245883   3.131  -1.491   1.639
+ 1319TIP3   OH245884   2.986  -1.817   1.407
+ 1319TIP3    H145885   2.983  -1.753   1.335
+ 1319TIP3    H245886   2.948  -1.897   1.365
+ 1319TIP3   OH245887   2.914  -1.700   2.008
+ 1319TIP3    H145888   2.903  -1.795   1.990
+ 1319TIP3    H245889   2.872  -1.691   2.096
+ 1319TIP3   OH245890   1.397  -1.479   2.374
+ 1319TIP3    H145891   1.418  -1.475   2.279
+ 1319TIP3    H245892   1.485  -1.502   2.412
+ 1319TIP3   OH245893   2.975  -1.510   2.922
+ 1319TIP3    H145894   3.046  -1.575   2.939
+ 1319TIP3    H245895   3.023  -1.428   2.908
+ 1319TIP3   OH245896   3.133  -1.708   3.031
+ 1319TIP3    H145897   3.049  -1.757   3.017
+ 1319TIP3    H245898   3.196  -1.783   3.037
+ 1319TIP3   OH245899   2.916  -2.077   1.329
+ 1319TIP3    H145900   2.970  -2.129   1.391
+ 1319TIP3    H245901   2.834  -2.129   1.320
+ 1319TIP3   OH245902   2.900  -1.950   1.827
+ 1319TIP3    H145903   2.921  -2.046   1.830
+ 1319TIP3    H245904   2.979  -1.915   1.783
+ 1319TIP3   OH245905   2.921  -1.889   2.368
+ 1319TIP3    H145906   3.019  -1.882   2.369
+ 1319TIP3    H245907   2.904  -1.890   2.464
+ 1320TIP3   OH245908   2.937  -1.819   2.646
+ 1320TIP3    H145909   2.851  -1.784   2.676
+ 1320TIP3    H245910   2.988  -1.737   2.630
+ 1320TIP3   OH245911   1.387  -1.943   3.017
+ 1320TIP3    H145912   1.480  -1.970   3.021
+ 1320TIP3    H245913   1.342  -2.029   3.024
+ 1320TIP3   OH245914   2.945  -2.230   1.822
+ 1320TIP3    H145915   2.953  -2.264   1.913
+ 1320TIP3    H245916   2.865  -2.278   1.792
+ 1320TIP3   OH245917   1.464  -2.110   2.296
+ 1320TIP3    H145918   1.508  -2.196   2.305
+ 1320TIP3    H245919   1.531  -2.050   2.334
+ 1320TIP3   OH245920   1.320  -1.844   2.404
+ 1320TIP3    H145921   1.373  -1.845   2.323
+ 1320TIP3    H245922   1.353  -1.764   2.447
+ 1320TIP3   OH245923   3.142  -2.182   1.491
+ 1320TIP3    H145924   3.171  -2.262   1.443
+ 1320TIP3    H245925   3.223  -2.130   1.496
+ 1320TIP3   OH245926   1.367  -2.208   1.807
+ 1320TIP3    H145927   1.272  -2.204   1.787
+ 1320TIP3    H245928   1.406  -2.147   1.741
+ 1320TIP3   OH245929   2.887  -0.636   1.989
+ 1320TIP3    H145930   2.859  -0.718   1.947
+ 1320TIP3    H245931   2.895  -0.659   2.082
+ 1320TIP3   OH245932   1.372  -2.320   2.622
+ 1320TIP3    H145933   1.300  -2.347   2.682
+ 1320TIP3    H245934   1.322  -2.267   2.557
+ 1320TIP3   OH245935   1.570  -1.010   3.089
+ 1320TIP3    H145936   1.497  -1.013   3.026
+ 1320TIP3    H245937   1.525  -1.015   3.174
+ 1321TIP3   OH245938   1.855  -0.914   2.658
+ 1321TIP3    H145939   1.822  -0.829   2.623
+ 1321TIP3    H245940   1.950  -0.903   2.640
+ 1321TIP3   OH245941   2.306  -0.782   2.958
+ 1321TIP3    H145942   2.317  -0.799   3.053
+ 1321TIP3    H245943   2.390  -0.737   2.936
+ 1321TIP3   OH245944   2.537  -0.634   2.881
+ 1321TIP3    H145945   2.603  -0.703   2.863
+ 1321TIP3    H245946   2.565  -0.605   2.970
+ 1321TIP3   OH245947   1.594  -0.615   2.691
+ 1321TIP3    H145948   1.530  -0.555   2.648
+ 1321TIP3    H245949   1.558  -0.615   2.781
+ 1321TIP3   OH245950   1.845  -0.637   2.550
+ 1321TIP3    H145951   1.757  -0.623   2.591
+ 1321TIP3    H245952   1.846  -0.570   2.480
+ 1321TIP3   OH245953   2.317  -0.640   2.501
+ 1321TIP3    H145954   2.276  -0.596   2.425
+ 1321TIP3    H245955   2.322  -0.566   2.565
+ 1321TIP3   OH245956   2.550  -0.768   2.592
+ 1321TIP3    H145957   2.464  -0.734   2.560
+ 1321TIP3    H245958   2.602  -0.686   2.595
+ 1321TIP3   OH245959   2.806  -0.594   2.614
+ 1321TIP3    H145960   2.795  -0.500   2.591
+ 1321TIP3    H245961   2.828  -0.632   2.527
+ 1321TIP3   OH245962   1.556  -0.727   2.386
+ 1321TIP3    H145963   1.550  -0.780   2.468
+ 1321TIP3    H245964   1.625  -0.777   2.337
+ 1321TIP3   OH245965   1.747  -0.857   2.234
+ 1321TIP3    H145966   1.733  -0.953   2.248
+ 1321TIP3    H245967   1.841  -0.848   2.257
+ 1322TIP3   OH245968   2.030  -0.812   2.318
+ 1322TIP3    H145969   2.046  -0.905   2.293
+ 1322TIP3    H245970   2.032  -0.820   2.415
+ 1322TIP3   OH245971   2.359  -2.226   2.247
+ 1322TIP3    H145972   2.291  -2.295   2.263
+ 1322TIP3    H245973   2.420  -2.273   2.188
+ 1322TIP3   OH245974   2.856  -2.426   2.293
+ 1322TIP3    H145975   2.931  -2.379   2.252
+ 1322TIP3    H245976   2.781  -2.396   2.239
+ 1322TIP3   OH245977   3.064  -2.314   2.081
+ 1322TIP3    H145978   3.135  -2.356   2.029
+ 1322TIP3    H245979   3.095  -2.223   2.090
+ 1322TIP3   OH245980   1.596  -2.356   2.004
+ 1322TIP3    H145981   1.510  -2.367   1.959
+ 1322TIP3    H245982   1.637  -2.443   1.988
+ 1322TIP3   OH245983   1.478  -2.407   1.591
+ 1322TIP3    H145984   1.528  -2.341   1.538
+ 1322TIP3    H245985   1.435  -2.351   1.657
+ 1322TIP3   OH245986   2.043  -2.372   1.991
+ 1322TIP3    H145987   2.135  -2.344   1.978
+ 1322TIP3    H245988   2.040  -2.383   2.087
+ 1322TIP3   OH245989   2.602  -2.368   2.132
+ 1322TIP3    H145990   2.627  -2.386   2.040
+ 1322TIP3    H245991   2.563  -2.454   2.158
+ 1322TIP3   OH245992   2.713  -2.368   1.731
+ 1322TIP3    H145993   2.630  -2.318   1.717
+ 1322TIP3    H245994   2.678  -2.458   1.744
+ 1322TIP3   OH245995   1.645  -2.229   1.440
+ 1322TIP3    H145996   1.706  -2.275   1.380
+ 1322TIP3    H245997   1.707  -2.191   1.504
+ 1323TIP3   OH245998   2.156  -2.205   1.698
+ 1323TIP3    H145999   2.191  -2.264   1.766
+ 1323TIP3    H246000   2.180  -2.119   1.735
+ 1323TIP3   OH246001   2.332  -0.673   1.551
+ 1323TIP3    H146002   2.408  -0.615   1.530
+ 1323TIP3    H246003   2.318  -0.715   1.464
+ 1323TIP3   OH246004   3.018  -0.793   1.760
+ 1323TIP3    H146005   2.974  -0.839   1.687
+ 1323TIP3    H246006   3.001  -0.701   1.732
+ 1323TIP3   OH246007   1.575  -2.332   2.957
+ 1323TIP3    H146008   1.535  -2.413   2.992
+ 1323TIP3    H246009   1.667  -2.344   2.983
+ 1323TIP3   OH246010   1.814  -2.393   3.131
+ 1323TIP3    H146011   1.896  -2.427   3.090
+ 1323TIP3    H246012   1.778  -2.473   3.171
+ 1323TIP3   OH246013   2.655  -2.481   3.140
+ 1323TIP3    H146014   2.657  -2.520   3.230
+ 1323TIP3    H246015   2.749  -2.475   3.119
+ 1323TIP3   OH246016   2.966  -0.846   3.012
+ 1323TIP3    H146017   2.889  -0.869   2.957
+ 1323TIP3    H246018   2.944  -0.755   3.039
+ 1323TIP3   OH246019   4.206  -1.561   2.335
+ 1323TIP3    H146020   4.280  -1.549   2.397
+ 1323TIP3    H246021   4.254  -1.576   2.253
+ 1323TIP3   OH246022   3.533  -1.571   2.495
+ 1323TIP3    H146023   3.518  -1.647   2.553
+ 1323TIP3    H246024   3.585  -1.514   2.555
+ 1323TIP3   OH246025   3.580  -1.120   2.343
+ 1323TIP3    H146026   3.561  -1.212   2.319
+ 1323TIP3    H246027   3.669  -1.130   2.382
+ 1324TIP3   OH246028   3.289  -1.771   1.894
+ 1324TIP3    H146029   3.238  -1.689   1.901
+ 1324TIP3    H246030   3.220  -1.832   1.862
+ 1324TIP3   OH246031   3.358  -1.529   2.081
+ 1324TIP3    H146032   3.370  -1.615   2.127
+ 1324TIP3    H246033   3.440  -1.522   2.033
+ 1324TIP3   OH246034   4.123  -1.286   2.399
+ 1324TIP3    H146035   4.156  -1.364   2.351
+ 1324TIP3    H246036   4.201  -1.260   2.450
+ 1324TIP3   OH246037   3.748  -2.036   2.141
+ 1324TIP3    H146038   3.717  -1.960   2.090
+ 1324TIP3    H246039   3.720  -2.107   2.082
+ 1324TIP3   OH246040   3.417  -1.777   2.200
+ 1324TIP3    H146041   3.472  -1.832   2.258
+ 1324TIP3    H246042   3.410  -1.832   2.120
+ 1324TIP3   OH246043   3.626  -2.173   2.566
+ 1324TIP3    H146044   3.581  -2.120   2.498
+ 1324TIP3    H246045   3.561  -2.166   2.639
+ 1324TIP3   OH246046   3.905  -1.394   2.569
+ 1324TIP3    H146047   3.837  -1.333   2.605
+ 1324TIP3    H246048   3.977  -1.333   2.547
+ 1324TIP3   OH246049   3.584  -1.965   2.358
+ 1324TIP3    H146050   3.648  -1.913   2.412
+ 1324TIP3    H246051   3.646  -2.004   2.293
+ 1324TIP3   OH246052   3.712  -1.199   2.645
+ 1324TIP3    H146053   3.714  -1.103   2.626
+ 1324TIP3    H246054   3.629  -1.205   2.696
+ 1324TIP3   OH246055   3.335  -1.171   1.761
+ 1324TIP3    H146056   3.327  -1.174   1.664
+ 1324TIP3    H246057   3.396  -1.097   1.774
+ 1325TIP3   OH246058   4.044  -2.425   2.282
+ 1325TIP3    H146059   4.016  -2.519   2.282
+ 1325TIP3    H246060   3.964  -2.382   2.318
+ 1325TIP3   OH246061   4.264  -1.542   1.747
+ 1325TIP3    H146062   4.200  -1.471   1.727
+ 1325TIP3    H246063   4.334  -1.520   1.686
+ 1325TIP3   OH246064   4.288  -1.697   1.465
+ 1325TIP3    H146065   4.368  -1.697   1.520
+ 1325TIP3    H246066   4.300  -1.775   1.409
+ 1325TIP3   OH246067   3.897  -1.115   2.317
+ 1325TIP3    H146068   3.897  -1.152   2.228
+ 1325TIP3    H246069   3.975  -1.157   2.357
+ 1325TIP3   OH246070   3.836  -1.558   2.340
+ 1325TIP3    H146071   3.929  -1.565   2.315
+ 1325TIP3    H246072   3.844  -1.514   2.427
+ 1325TIP3   OH246073   3.904  -1.135   2.869
+ 1325TIP3    H146074   3.856  -1.074   2.927
+ 1325TIP3    H246075   3.835  -1.161   2.806
+ 1325TIP3   OH246076   3.589  -1.493   2.777
+ 1325TIP3    H146077   3.600  -1.442   2.859
+ 1325TIP3    H246078   3.494  -1.515   2.781
+ 1325TIP3   OH246079   4.244  -0.930   1.963
+ 1325TIP3    H146080   4.298  -0.883   2.029
+ 1325TIP3    H246081   4.200  -0.856   1.918
+ 1325TIP3   OH246082   3.708  -0.917   2.955
+ 1325TIP3    H146083   3.696  -0.922   2.859
+ 1325TIP3    H246084   3.622  -0.948   2.990
+ 1325TIP3   OH246085   3.679  -1.582   1.829
+ 1325TIP3    H146086   3.656  -1.500   1.781
+ 1325TIP3    H246087   3.606  -1.640   1.800
+ 1326TIP3   OH246088   3.257  -1.311   2.665
+ 1326TIP3    H146089   3.209  -1.317   2.580
+ 1326TIP3    H246090   3.269  -1.405   2.688
+ 1326TIP3   OH246091   3.266  -1.010   2.351
+ 1326TIP3    H146092   3.354  -1.047   2.368
+ 1326TIP3    H246093   3.252  -0.959   2.432
+ 1326TIP3   OH246094   4.168  -1.030   2.814
+ 1326TIP3    H146095   4.181  -0.948   2.864
+ 1326TIP3    H246096   4.082  -1.063   2.846
+ 1326TIP3   OH246097   4.179  -0.651   1.810
+ 1326TIP3    H146098   4.207  -0.649   1.718
+ 1326TIP3    H246099   4.208  -0.567   1.845
+ 1326TIP3   OH246100   3.555  -0.765   1.969
+ 1326TIP3    H146101   3.579  -0.801   2.057
+ 1326TIP3    H246102   3.468  -0.804   1.954
+ 1326TIP3   OH246103   3.477  -1.156   2.789
+ 1326TIP3    H146104   3.502  -1.197   2.874
+ 1326TIP3    H246105   3.402  -1.212   2.760
+ 1326TIP3   OH246106   3.797  -2.302   2.360
+ 1326TIP3    H146107   3.711  -2.316   2.317
+ 1326TIP3    H246108   3.772  -2.238   2.429
+ 1326TIP3   OH246109   4.233  -2.372   2.794
+ 1326TIP3    H146110   4.245  -2.445   2.858
+ 1326TIP3    H246111   4.142  -2.390   2.763
+ 1326TIP3   OH246112   4.227  -2.091   1.465
+ 1326TIP3    H146113   4.169  -2.114   1.539
+ 1326TIP3    H246114   4.204  -2.159   1.401
+ 1326TIP3   OH246115   3.774  -1.831   2.507
+ 1326TIP3    H146116   3.724  -1.822   2.590
+ 1326TIP3    H246117   3.781  -1.739   2.477
+ 1327TIP3   OH246118   4.274  -1.774   1.939
+ 1327TIP3    H146119   4.274  -1.679   1.917
+ 1327TIP3    H246120   4.363  -1.788   1.976
+ 1327TIP3   OH246121   4.247  -1.741   3.019
+ 1327TIP3    H146122   4.195  -1.821   3.041
+ 1327TIP3    H246123   4.337  -1.778   3.026
+ 1327TIP3   OH246124   3.516  -1.811   2.689
+ 1327TIP3    H146125   3.542  -1.784   2.778
+ 1327TIP3    H246126   3.478  -1.899   2.708
+ 1327TIP3   OH246127   3.858  -2.040   1.349
+ 1327TIP3    H146128   3.824  -2.085   1.429
+ 1327TIP3    H246129   3.783  -2.046   1.288
+ 1327TIP3   OH246130   3.218  -2.049   2.051
+ 1327TIP3    H146131   3.266  -2.074   2.133
+ 1327TIP3    H246132   3.253  -2.109   1.984
+ 1327TIP3   OH246133   3.362  -2.020   1.624
+ 1327TIP3    H146134   3.411  -1.969   1.557
+ 1327TIP3    H246135   3.289  -1.959   1.645
+ 1327TIP3   OH246136   4.347  -1.691   2.629
+ 1327TIP3    H146137   4.370  -1.760   2.563
+ 1327TIP3    H246138   4.275  -1.736   2.675
+ 1327TIP3   OH246139   4.048  -2.082   2.098
+ 1327TIP3    H146140   3.955  -2.077   2.128
+ 1327TIP3    H246141   4.094  -2.061   2.181
+ 1327TIP3   OH246142   3.548  -1.911   1.956
+ 1327TIP3    H146143   3.459  -1.889   1.924
+ 1327TIP3    H246144   3.562  -2.000   1.918
+ 1327TIP3   OH246145   3.872  -1.845   1.773
+ 1327TIP3    H146146   3.951  -1.900   1.755
+ 1327TIP3    H246147   3.828  -1.842   1.685
+ 1328TIP3   OH246148   3.732  -1.793   1.526
+ 1328TIP3    H146149   3.661  -1.813   1.464
+ 1328TIP3    H246150   3.807  -1.773   1.467
+ 1328TIP3   OH246151   3.583  -1.307   3.010
+ 1328TIP3    H146152   3.651  -1.300   3.081
+ 1328TIP3    H246153   3.503  -1.312   3.066
+ 1328TIP3   OH246154   4.116  -1.833   2.230
+ 1328TIP3    H146155   4.205  -1.847   2.194
+ 1328TIP3    H246156   4.137  -1.832   2.325
+ 1328TIP3   OH246157   3.684  -2.168   1.896
+ 1328TIP3    H146158   3.620  -2.240   1.918
+ 1328TIP3    H246159   3.762  -2.219   1.871
+ 1328TIP3   OH246160   4.047  -1.974   2.511
+ 1328TIP3    H146161   3.978  -1.907   2.500
+ 1328TIP3    H246162   4.104  -1.934   2.580
+ 1328TIP3   OH246163   4.069  -1.339   1.704
+ 1328TIP3    H146164   3.993  -1.384   1.661
+ 1328TIP3    H246165   4.042  -1.336   1.798
+ 1328TIP3   OH246166   4.188  -1.339   2.818
+ 1328TIP3    H146167   4.190  -1.353   2.913
+ 1328TIP3    H246168   4.216  -1.247   2.808
+ 1328TIP3   OH246169   3.596  -1.395   2.253
+ 1328TIP3    H146170   3.685  -1.410   2.219
+ 1328TIP3    H246171   3.588  -1.470   2.314
+ 1328TIP3   OH246172   4.286  -1.197   1.598
+ 1328TIP3    H146173   4.260  -1.107   1.625
+ 1328TIP3    H246174   4.209  -1.248   1.630
+ 1328TIP3   OH246175   3.305  -1.558   2.804
+ 1328TIP3    H146176   3.319  -1.600   2.892
+ 1328TIP3    H246177   3.242  -1.619   2.762
+ 1329TIP3   OH246178   4.002  -1.607   3.005
+ 1329TIP3    H146179   3.972  -1.638   2.919
+ 1329TIP3    H246180   4.096  -1.632   3.002
+ 1329TIP3   OH246181   3.813  -1.061   2.001
+ 1329TIP3    H146182   3.865  -0.980   1.996
+ 1329TIP3    H246183   3.726  -1.028   1.978
+ 1329TIP3   OH246184   3.422  -1.583   1.458
+ 1329TIP3    H146185   3.475  -1.510   1.493
+ 1329TIP3    H246186   3.331  -1.557   1.485
+ 1329TIP3   OH246187   3.962  -1.318   1.968
+ 1329TIP3    H146188   3.977  -1.223   1.980
+ 1329TIP3    H246189   3.879  -1.329   2.014
+ 1329TIP3   OH246190   4.020  -0.859   2.604
+ 1329TIP3    H146191   4.081  -0.788   2.573
+ 1329TIP3    H246192   4.080  -0.912   2.658
+ 1329TIP3   OH246193   3.857  -0.767   1.927
+ 1329TIP3    H146194   3.761  -0.751   1.932
+ 1329TIP3    H246195   3.894  -0.680   1.951
+ 1329TIP3   OH246196   3.435  -2.093   2.763
+ 1329TIP3    H146197   3.342  -2.068   2.744
+ 1329TIP3    H246198   3.424  -2.177   2.811
+ 1329TIP3   OH246199   3.414  -0.919   2.606
+ 1329TIP3    H146200   3.442  -1.010   2.628
+ 1329TIP3    H246201   3.431  -0.875   2.690
+ 1329TIP3   OH246202   3.992  -1.047   1.309
+ 1329TIP3    H146203   4.031  -1.121   1.258
+ 1329TIP3    H246204   3.959  -1.093   1.387
+ 1329TIP3   OH246205   3.884  -1.107   1.585
+ 1329TIP3    H146206   3.939  -1.153   1.649
+ 1329TIP3    H246207   3.898  -1.013   1.610
+ 1330TIP3   OH246208   3.567  -1.361   1.627
+ 1330TIP3    H146209   3.490  -1.321   1.671
+ 1330TIP3    H246210   3.609  -1.283   1.586
+ 1330TIP3   OH246211   4.341  -2.063   2.670
+ 1330TIP3    H146212   4.378  -2.140   2.713
+ 1330TIP3    H246213   4.275  -2.102   2.611
+ 1330TIP3   OH246214   4.165  -0.940   1.635
+ 1330TIP3    H146215   4.089  -0.885   1.658
+ 1330TIP3    H246216   4.213  -0.883   1.573
+ 1330TIP3   OH246217   4.127  -1.978   1.841
+ 1330TIP3    H146218   4.193  -1.908   1.864
+ 1330TIP3    H246219   4.104  -2.004   1.933
+ 1330TIP3   OH246220   4.169  -1.874   2.759
+ 1330TIP3    H146221   4.182  -1.829   2.844
+ 1330TIP3    H246222   4.237  -1.944   2.762
+ 1330TIP3   OH246223   4.193  -2.268   1.956
+ 1330TIP3    H146224   4.166  -2.193   2.014
+ 1330TIP3    H246225   4.275  -2.234   1.916
+ 1330TIP3   OH246226   3.890  -0.832   1.642
+ 1330TIP3    H146227   3.891  -0.751   1.587
+ 1330TIP3    H246228   3.883  -0.795   1.732
+ 1330TIP3   OH246229   3.773  -2.154   1.584
+ 1330TIP3    H146230   3.757  -2.091   1.657
+ 1330TIP3    H246231   3.850  -2.204   1.616
+ 1330TIP3   OH246232   3.608  -1.079   1.499
+ 1330TIP3    H146233   3.682  -1.027   1.535
+ 1330TIP3    H246234   3.655  -1.124   1.427
+ 1330TIP3   OH246235   3.431  -1.851   1.400
+ 1330TIP3    H146236   3.433  -1.754   1.418
+ 1330TIP3    H246237   3.341  -1.861   1.365
+ 1331TIP3   OH246238   3.519  -2.355   2.286
+ 1331TIP3    H146239   3.496  -2.358   2.191
+ 1331TIP3    H246240   3.484  -2.439   2.319
+ 1331TIP3   OH246241   3.346  -0.712   3.027
+ 1331TIP3    H146242   3.404  -0.738   3.100
+ 1331TIP3    H246243   3.306  -0.798   3.002
+ 1331TIP3   OH246244   3.820  -0.797   3.197
+ 1331TIP3    H146245   3.876  -0.867   3.234
+ 1331TIP3    H246246   3.789  -0.839   3.115
+ 1331TIP3   OH246247   4.230  -0.882   1.342
+ 1331TIP3    H146248   4.148  -0.936   1.341
+ 1331TIP3    H246249   4.295  -0.952   1.326
+ 1331TIP3   OH246250   3.342  -1.349   3.139
+ 1331TIP3    H146251   3.350  -1.441   3.108
+ 1331TIP3    H246252   3.264  -1.319   3.089
+ 1331TIP3   OH246253   3.756  -1.311   1.335
+ 1331TIP3    H146254   3.777  -1.368   1.411
+ 1331TIP3    H246255   3.843  -1.306   1.291
+ 1331TIP3   OH246256   4.008  -1.329   3.073
+ 1331TIP3    H146257   3.981  -1.298   2.985
+ 1331TIP3    H246258   4.017  -1.425   3.060
+ 1331TIP3   OH246259   4.256  -1.174   1.299
+ 1331TIP3    H146260   4.281  -1.162   1.392
+ 1331TIP3    H246261   4.249  -1.271   1.293
+ 1331TIP3   OH246262   3.431  -1.634   3.056
+ 1331TIP3    H146263   3.502  -1.700   3.059
+ 1331TIP3    H246264   3.422  -1.614   3.150
+ 1331TIP3   OH246265   3.870  -1.503   1.581
+ 1331TIP3    H146266   3.804  -1.558   1.626
+ 1331TIP3    H246267   3.904  -1.565   1.514
+ 1332TIP3   OH246268   3.793  -1.723   2.796
+ 1332TIP3    H146269   3.743  -1.645   2.827
+ 1332TIP3    H246270   3.857  -1.683   2.735
+ 1332TIP3   OH246271   3.977  -1.693   1.402
+ 1332TIP3    H146272   3.973  -1.696   1.305
+ 1332TIP3    H246273   4.073  -1.689   1.417
+ 1332TIP3   OH246274   4.281  -1.476   3.165
+ 1332TIP3    H146275   4.358  -1.509   3.117
+ 1332TIP3    H246276   4.267  -1.549   3.228
+ 1332TIP3   OH246277   3.860  -1.991   2.917
+ 1332TIP3    H146278   3.861  -2.059   2.847
+ 1332TIP3    H246279   3.836  -1.911   2.867
+ 1332TIP3   OH246280   3.887  -2.149   2.658
+ 1332TIP3    H146281   3.936  -2.091   2.596
+ 1332TIP3    H246282   3.795  -2.144   2.625
+ 1332TIP3   OH246283   4.059  -1.610   2.686
+ 1332TIP3    H146284   4.138  -1.609   2.631
+ 1332TIP3    H246285   4.032  -1.516   2.681
+ 1332TIP3   OH246286   3.674  -1.810   3.093
+ 1332TIP3    H146287   3.618  -1.890   3.094
+ 1332TIP3    H246288   3.755  -1.844   3.051
+ 1332TIP3   OH246289   3.972  -2.409   2.694
+ 1332TIP3    H146290   3.947  -2.316   2.678
+ 1332TIP3    H246291   3.904  -2.456   2.642
+ 1332TIP3   OH246292   4.102  -1.965   3.070
+ 1332TIP3    H146293   4.065  -1.989   3.156
+ 1332TIP3    H246294   4.027  -1.987   3.012
+ 1332TIP3   OH246295   3.539  -2.065   3.075
+ 1332TIP3    H146296   3.529  -2.137   3.010
+ 1332TIP3    H246297   3.512  -2.109   3.157
+ 1333TIP3   OH246298   3.945  -2.464   2.979
+ 1333TIP3    H146299   4.006  -2.539   2.982
+ 1333TIP3    H246300   3.940  -2.447   2.883
+ 1333TIP3   OH246301   4.036  -2.283   3.172
+ 1333TIP3    H146302   4.005  -2.338   3.097
+ 1333TIP3    H246303   3.973  -2.210   3.171
+ 1333TIP3   OH246304   3.956  -0.579   1.512
+ 1333TIP3    H146305   4.052  -0.570   1.520
+ 1333TIP3    H246306   3.941  -0.528   1.431
+ 1333TIP3   OH246307   3.336  -1.146   1.476
+ 1333TIP3    H146308   3.430  -1.119   1.472
+ 1333TIP3    H246309   3.331  -1.212   1.404
+ 1333TIP3   OH246310   3.229  -0.622   1.926
+ 1333TIP3    H146311   3.143  -0.643   1.888
+ 1333TIP3    H246312   3.231  -0.679   2.005
+ 1333TIP3   OH246313   3.269  -0.836   2.122
+ 1333TIP3    H146314   3.247  -0.912   2.181
+ 1333TIP3    H246315   3.307  -0.779   2.191
+ 1333TIP3   OH246316   3.286  -1.474   2.375
+ 1333TIP3    H146317   3.310  -1.477   2.281
+ 1333TIP3    H246318   3.372  -1.499   2.417
+ 1333TIP3   OH246319   3.239  -1.983   3.028
+ 1333TIP3    H146320   3.332  -2.008   3.025
+ 1333TIP3    H246321   3.196  -2.070   3.038
+ 1333TIP3   OH246322   3.352  -2.110   2.291
+ 1333TIP3    H146323   3.392  -2.197   2.308
+ 1333TIP3    H246324   3.415  -2.051   2.336
+ 1333TIP3   OH246325   3.206  -1.844   2.399
+ 1333TIP3    H146326   3.262  -1.842   2.320
+ 1333TIP3    H246327   3.238  -1.768   2.448
+ 1334TIP3   OH246328   3.251  -2.206   1.809
+ 1334TIP3    H146329   3.156  -2.205   1.787
+ 1334TIP3    H246330   3.290  -2.148   1.742
+ 1334TIP3   OH246331   3.231  -2.325   2.641
+ 1334TIP3    H146332   3.170  -2.360   2.708
+ 1334TIP3    H246333   3.171  -2.280   2.580
+ 1334TIP3   OH246334   3.456  -1.009   3.086
+ 1334TIP3    H146335   3.378  -1.011   3.030
+ 1334TIP3    H246336   3.419  -1.018   3.175
+ 1334TIP3   OH246337   3.741  -0.917   2.652
+ 1334TIP3    H146338   3.710  -0.829   2.623
+ 1334TIP3    H246339   3.837  -0.905   2.640
+ 1334TIP3   OH246340   4.219  -0.747   2.948
+ 1334TIP3    H146341   4.204  -0.785   3.036
+ 1334TIP3    H246342   4.315  -0.728   2.954
+ 1334TIP3   OH246343   3.477  -0.615   2.688
+ 1334TIP3    H146344   3.415  -0.551   2.650
+ 1334TIP3    H246345   3.449  -0.615   2.780
+ 1334TIP3   OH246346   3.726  -0.642   2.545
+ 1334TIP3    H146347   3.643  -0.621   2.591
+ 1334TIP3    H246348   3.734  -0.569   2.481
+ 1334TIP3   OH246349   4.195  -0.662   2.502
+ 1334TIP3    H146350   4.180  -0.610   2.421
+ 1334TIP3    H246351   4.259  -0.609   2.549
+ 1334TIP3   OH246352   3.436  -0.737   2.384
+ 1334TIP3    H146353   3.432  -0.783   2.470
+ 1334TIP3    H246354   3.514  -0.780   2.344
+ 1334TIP3   OH246355   3.635  -0.866   2.225
+ 1334TIP3    H146356   3.623  -0.957   2.259
+ 1334TIP3    H246357   3.725  -0.845   2.259
+ 1335TIP3   OH246358   3.908  -0.815   2.318
+ 1335TIP3    H146359   3.934  -0.906   2.298
+ 1335TIP3    H246360   3.921  -0.814   2.414
+ 1335TIP3   OH246361   4.265  -2.258   2.248
+ 1335TIP3    H146362   4.182  -2.306   2.263
+ 1335TIP3    H246363   4.299  -2.302   2.170
+ 1335TIP3   OH246364   3.482  -2.355   2.000
+ 1335TIP3    H146365   3.394  -2.369   1.959
+ 1335TIP3    H246366   3.522  -2.443   1.990
+ 1335TIP3   OH246367   3.365  -2.407   1.594
+ 1335TIP3    H146368   3.411  -2.340   1.540
+ 1335TIP3    H246369   3.320  -2.353   1.660
+ 1335TIP3   OH246370   3.930  -2.367   1.992
+ 1335TIP3    H146371   4.024  -2.344   1.983
+ 1335TIP3    H246372   3.925  -2.383   2.087
+ 1335TIP3   OH246373   3.333  -0.842   1.729
+ 1335TIP3    H146374   3.304  -0.832   1.637
+ 1335TIP3    H246375   3.374  -0.754   1.740
+ 1335TIP3   OH246376   3.536  -2.221   1.433
+ 1335TIP3    H146377   3.593  -2.283   1.384
+ 1335TIP3    H246378   3.596  -2.191   1.504
+ 1335TIP3   OH246379   4.062  -2.200   1.693
+ 1335TIP3    H146380   4.066  -2.270   1.760
+ 1335TIP3    H246381   4.073  -2.120   1.747
+ 1335TIP3   OH246382   4.264  -0.649   1.518
+ 1335TIP3    H146383   4.351  -0.609   1.499
+ 1335TIP3    H246384   4.249  -0.705   1.441
+ 1335TIP3   OH246385   3.482  -2.323   2.949
+ 1335TIP3    H146386   3.415  -2.385   2.984
+ 1335TIP3    H246387   3.562  -2.352   2.997
+ 1336TIP3   OH246388   3.702  -2.393   3.134
+ 1336TIP3    H146389   3.783  -2.430   3.093
+ 1336TIP3    H246390   3.661  -2.473   3.171
+ 1336TIP3   OH246391   3.518  -0.724   1.394
+ 1336TIP3    H146392   3.505  -0.681   1.480
+ 1336TIP3    H246393   3.603  -0.770   1.404
+ 1336TIP3   OH246394  -3.162   0.403   2.029
+ 1336TIP3    H146395  -3.161   0.499   2.040
+ 1336TIP3    H246396  -3.236   0.391   1.967
+ 1336TIP3   OH246397  -3.276   0.349   2.337
+ 1336TIP3    H146398  -3.275   0.293   2.416
+ 1336TIP3    H246399  -3.302   0.286   2.269
+ 1336TIP3   OH246400  -4.029   0.308   2.501
+ 1336TIP3    H146401  -4.033   0.233   2.564
+ 1336TIP3    H246402  -3.959   0.361   2.541
+ 1336TIP3   OH246403  -2.905   0.622   2.169
+ 1336TIP3    H146404  -2.945   0.551   2.222
+ 1336TIP3    H246405  -2.880   0.685   2.238
+ 1336TIP3   OH246406  -3.960   0.768   2.351
+ 1336TIP3    H146407  -3.987   0.678   2.325
+ 1336TIP3    H246408  -3.867   0.754   2.372
+ 1336TIP3   OH246409  -4.197   0.167   1.799
+ 1336TIP3    H146410  -4.223   0.242   1.855
+ 1336TIP3    H246411  -4.283   0.132   1.770
+ 1336TIP3   OH246412  -4.205   0.345   2.054
+ 1336TIP3    H146413  -4.188   0.282   2.126
+ 1336TIP3    H246414  -4.118   0.385   2.041
+ 1336TIP3   OH246415  -3.201   1.159   2.228
+ 1336TIP3    H146416  -3.142   1.089   2.192
+ 1336TIP3    H246417  -3.226   1.120   2.312
+ 1337TIP3   OH246418  -3.426   0.600   2.393
+ 1337TIP3    H146419  -3.393   0.528   2.336
+ 1337TIP3    H246420  -3.345   0.615   2.445
+ 1337TIP3   OH246421  -2.564  -0.246   2.458
+ 1337TIP3    H146422  -2.532  -0.187   2.529
+ 1337TIP3    H246423  -2.500  -0.226   2.387
+ 1337TIP3   OH246424  -3.096   0.034   2.443
+ 1337TIP3    H146425  -3.084  -0.062   2.451
+ 1337TIP3    H246426  -3.105   0.043   2.346
+ 1337TIP3   OH246427  -3.798  -0.166   2.152
+ 1337TIP3    H146428  -3.785  -0.080   2.106
+ 1337TIP3    H246429  -3.834  -0.220   2.080
+ 1337TIP3   OH246430  -3.036  -0.162   1.973
+ 1337TIP3    H146431  -2.971  -0.206   2.031
+ 1337TIP3    H246432  -2.978  -0.120   1.908
+ 1337TIP3   OH246433  -4.138   0.109   2.206
+ 1337TIP3    H146434  -4.079   0.066   2.270
+ 1337TIP3    H246435  -4.121   0.055   2.127
+ 1337TIP3   OH246436  -3.592   0.245   2.149
+ 1337TIP3    H146437  -3.521   0.191   2.188
+ 1337TIP3    H246438  -3.643   0.178   2.100
+ 1337TIP3   OH246439  -2.485  -0.108   2.706
+ 1337TIP3    H146440  -2.548  -0.039   2.678
+ 1337TIP3    H246441  -2.508  -0.116   2.800
+ 1337TIP3   OH246442  -3.916  -0.282   2.568
+ 1337TIP3    H146443  -3.963  -0.239   2.496
+ 1337TIP3    H246444  -3.980  -0.269   2.641
+ 1337TIP3   OH246445  -3.171   0.689   1.909
+ 1337TIP3    H146446  -3.200   0.666   1.821
+ 1337TIP3    H246447  -3.216   0.774   1.925
+ 1338TIP3   OH246448  -3.625   0.501   2.580
+ 1338TIP3    H146449  -3.698   0.561   2.606
+ 1338TIP3    H246450  -3.563   0.562   2.536
+ 1338TIP3   OH246451  -2.840  -0.229   2.184
+ 1338TIP3    H146452  -2.881  -0.283   2.252
+ 1338TIP3    H246453  -2.781  -0.172   2.236
+ 1338TIP3   OH246454  -3.958  -0.077   2.359
+ 1338TIP3    H146455  -3.892  -0.023   2.407
+ 1338TIP3    H246456  -3.901  -0.118   2.291
+ 1338TIP3   OH246457  -3.828   0.688   2.652
+ 1338TIP3    H146458  -3.830   0.780   2.622
+ 1338TIP3    H246459  -3.916   0.680   2.694
+ 1338TIP3   OH246460  -4.181   0.654   1.743
+ 1338TIP3    H146461  -4.262   0.667   1.690
+ 1338TIP3    H246462  -4.196   0.710   1.821
+ 1338TIP3   OH246463  -2.849   0.803   2.418
+ 1338TIP3    H146464  -2.946   0.813   2.421
+ 1338TIP3    H246465  -2.823   0.890   2.381
+ 1338TIP3   OH246466  -2.817  -0.317   2.573
+ 1338TIP3    H146467  -2.895  -0.275   2.531
+ 1338TIP3    H246468  -2.745  -0.291   2.512
+ 1338TIP3   OH246469  -3.507  -0.544   2.273
+ 1338TIP3    H146470  -3.532  -0.639   2.279
+ 1338TIP3    H246471  -3.586  -0.502   2.314
+ 1338TIP3   OH246472  -3.020   0.998   2.076
+ 1338TIP3    H146473  -2.973   0.918   2.044
+ 1338TIP3    H246474  -2.952   1.066   2.063
+ 1338TIP3   OH246475  -2.878   0.785   1.939
+ 1338TIP3    H146476  -2.923   0.738   1.867
+ 1338TIP3    H246477  -2.882   0.719   2.010
+ 1339TIP3   OH246478  -2.720   0.666   2.786
+ 1339TIP3    H146479  -2.733   0.601   2.714
+ 1339TIP3    H246480  -2.711   0.750   2.737
+ 1339TIP3   OH246481  -3.291   0.355   1.756
+ 1339TIP3    H146482  -3.357   0.415   1.717
+ 1339TIP3    H246483  -3.220   0.358   1.690
+ 1339TIP3   OH246484  -3.269   0.175   1.463
+ 1339TIP3    H146485  -3.198   0.204   1.523
+ 1339TIP3    H246486  -3.217   0.121   1.401
+ 1339TIP3   OH246487  -2.539   0.289   2.573
+ 1339TIP3    H146488  -2.616   0.350   2.585
+ 1339TIP3    H246489  -2.503   0.321   2.489
+ 1339TIP3   OH246490  -2.940   0.361   1.866
+ 1339TIP3    H146491  -3.011   0.380   1.931
+ 1339TIP3    H246492  -2.886   0.297   1.914
+ 1339TIP3   OH246493  -2.959   0.211   2.747
+ 1339TIP3    H146494  -2.956   0.292   2.799
+ 1339TIP3    H246495  -3.026   0.238   2.681
+ 1339TIP3   OH246496  -3.783   0.435   2.040
+ 1339TIP3    H146497  -3.816   0.390   1.959
+ 1339TIP3    H246498  -3.719   0.370   2.074
+ 1339TIP3   OH246499  -3.648   0.774   2.315
+ 1339TIP3    H146500  -3.658   0.736   2.227
+ 1339TIP3    H246501  -3.568   0.727   2.347
+ 1339TIP3   OH246502  -3.729   0.320   2.387
+ 1339TIP3    H146503  -3.669   0.319   2.310
+ 1339TIP3    H246504  -3.686   0.382   2.448
+ 1339TIP3   OH246505  -3.132   0.867   2.448
+ 1339TIP3    H146506  -3.129   0.933   2.519
+ 1339TIP3    H246507  -3.154   0.784   2.495
+ 1340TIP3   OH246508  -3.641   0.747   2.872
+ 1340TIP3    H146509  -3.693   0.812   2.923
+ 1340TIP3    H246510  -3.706   0.720   2.804
+ 1340TIP3   OH246511  -3.044   0.292   1.610
+ 1340TIP3    H146512  -2.993   0.315   1.691
+ 1340TIP3    H246513  -2.993   0.342   1.542
+ 1340TIP3   OH246514  -3.956   0.385   2.786
+ 1340TIP3    H146515  -3.948   0.441   2.865
+ 1340TIP3    H246516  -4.053   0.376   2.779
+ 1340TIP3   OH246517  -3.304   0.961   1.966
+ 1340TIP3    H146518  -3.255   0.990   2.043
+ 1340TIP3    H246519  -3.352   1.041   1.939
+ 1340TIP3   OH246520  -3.837   0.966   2.957
+ 1340TIP3    H146521  -3.843   0.966   2.860
+ 1340TIP3    H246522  -3.928   0.944   2.985
+ 1340TIP3   OH246523  -2.708  -0.468   1.521
+ 1340TIP3    H146524  -2.738  -0.534   1.585
+ 1340TIP3    H246525  -2.611  -0.468   1.534
+ 1340TIP3   OH246526  -3.894   0.307   1.795
+ 1340TIP3    H146527  -3.916   0.382   1.738
+ 1340TIP3    H246528  -3.964   0.243   1.772
+ 1340TIP3   OH246529  -2.556   0.882   1.414
+ 1340TIP3    H146530  -2.543   0.975   1.439
+ 1340TIP3    H246531  -2.467   0.845   1.426
+ 1340TIP3   OH246532  -4.271   0.592   2.645
+ 1340TIP3    H146533  -4.286   0.554   2.557
+ 1340TIP3    H246534  -4.305   0.520   2.702
+ 1340TIP3   OH246535  -4.279   0.877   2.340
+ 1340TIP3    H146536  -4.200   0.824   2.359
+ 1340TIP3    H246537  -4.298   0.915   2.426
+ 1341TIP3   OH246538  -2.442   0.925   2.937
+ 1341TIP3    H146539  -2.456   0.829   2.924
+ 1341TIP3    H246540  -2.532   0.953   2.964
+ 1341TIP3   OH246541  -3.378   0.853   2.816
+ 1341TIP3    H146542  -3.370   0.934   2.870
+ 1341TIP3    H246543  -3.468   0.821   2.840
+ 1341TIP3   OH246544  -3.349   1.233   1.814
+ 1341TIP3    H146545  -3.348   1.243   1.718
+ 1341TIP3    H246546  -3.344   1.325   1.846
+ 1341TIP3   OH246547  -3.977   1.146   1.977
+ 1341TIP3    H146548  -3.951   1.106   2.062
+ 1341TIP3    H246549  -4.051   1.088   1.952
+ 1341TIP3   OH246550  -3.020   1.175   1.532
+ 1341TIP3    H146551  -2.960   1.110   1.489
+ 1341TIP3    H246552  -3.024   1.138   1.623
+ 1341TIP3   OH246553  -3.080   1.119   1.813
+ 1341TIP3    H146554  -3.175   1.131   1.827
+ 1341TIP3    H246555  -3.062   1.046   1.875
+ 1341TIP3   OH246556  -2.762   0.067   2.977
+ 1341TIP3    H146557  -2.816   0.104   2.906
+ 1341TIP3    H246558  -2.759  -0.028   2.952
+ 1341TIP3   OH246559  -4.072   0.731   2.795
+ 1341TIP3    H146560  -4.041   0.674   2.868
+ 1341TIP3    H246561  -4.146   0.680   2.756
+ 1341TIP3   OH246562  -3.747  -0.422   2.371
+ 1341TIP3    H146563  -3.830  -0.441   2.325
+ 1341TIP3    H246564  -3.776  -0.353   2.432
+ 1341TIP3   OH246565  -3.312  -0.462   2.735
+ 1341TIP3    H146566  -3.262  -0.519   2.797
+ 1341TIP3    H246567  -3.403  -0.497   2.743
+ 1342TIP3   OH246568  -2.993  -0.085   2.785
+ 1342TIP3    H146569  -3.055  -0.102   2.858
+ 1342TIP3    H246570  -3.003   0.011   2.770
+ 1342TIP3   OH246571  -2.892   0.412   1.407
+ 1342TIP3    H146572  -2.909   0.384   1.316
+ 1342TIP3    H246573  -2.795   0.425   1.405
+ 1342TIP3   OH246574  -3.762   0.057   2.507
+ 1342TIP3    H146575  -3.817   0.066   2.586
+ 1342TIP3    H246576  -3.757   0.148   2.473
+ 1342TIP3   OH246577  -3.770   0.063   1.997
+ 1342TIP3    H146578  -3.866   0.057   1.980
+ 1342TIP3    H246579  -3.735   0.045   1.908
+ 1342TIP3   OH246580  -3.188   0.115   1.862
+ 1342TIP3    H146581  -3.228   0.199   1.832
+ 1342TIP3    H246582  -3.130   0.094   1.786
+ 1342TIP3   OH246583  -3.288   0.141   3.011
+ 1342TIP3    H146584  -3.338   0.065   3.046
+ 1342TIP3    H246585  -3.200   0.127   3.051
+ 1342TIP3   OH246586  -3.119   0.051   2.144
+ 1342TIP3    H146587  -3.144   0.109   2.070
+ 1342TIP3    H246588  -3.099  -0.030   2.093
+ 1342TIP3   OH246589  -4.029   0.075   2.694
+ 1342TIP3    H146590  -3.994   0.106   2.778
+ 1342TIP3    H246591  -4.052  -0.017   2.716
+ 1342TIP3   OH246592  -3.683  -0.166   1.356
+ 1342TIP3    H146593  -3.729  -0.208   1.431
+ 1342TIP3    H246594  -3.756  -0.149   1.294
+ 1342TIP3   OH246595  -4.319  -0.167   2.056
+ 1342TIP3    H146596  -4.304  -0.191   2.149
+ 1342TIP3    H246597  -4.279  -0.241   2.010
+ 1343TIP3   OH246598  -4.211  -0.118   1.645
+ 1343TIP3    H146599  -4.151  -0.095   1.571
+ 1343TIP3    H246600  -4.295  -0.089   1.609
+ 1343TIP3   OH246601  -3.210   0.227   2.599
+ 1343TIP3    H146602  -3.167   0.155   2.548
+ 1343TIP3    H246603  -3.245   0.178   2.675
+ 1343TIP3   OH246604  -3.492  -0.178   2.096
+ 1343TIP3    H146605  -3.585  -0.182   2.122
+ 1343TIP3    H246606  -3.447  -0.198   2.180
+ 1343TIP3   OH246607  -4.039  -0.051   1.964
+ 1343TIP3    H146608  -4.113  -0.035   1.903
+ 1343TIP3    H246609  -4.003  -0.134   1.929
+ 1343TIP3   OH246610  -3.667  -0.029   1.729
+ 1343TIP3    H146611  -3.573  -0.007   1.742
+ 1343TIP3    H246612  -3.697   0.037   1.664
+ 1343TIP3   OH246613  -3.053  -0.266   2.401
+ 1343TIP3    H146614  -3.115  -0.265   2.477
+ 1343TIP3    H246615  -3.113  -0.295   2.330
+ 1343TIP3   OH246616  -3.824   0.106   1.514
+ 1343TIP3    H146617  -3.885   0.074   1.446
+ 1343TIP3    H246618  -3.744   0.124   1.462
+ 1343TIP3   OH246619  -2.751   1.313   3.067
+ 1343TIP3    H146620  -2.728   1.360   2.986
+ 1343TIP3    H246621  -2.685   1.347   3.129
+ 1343TIP3   OH246622  -3.952   0.578   3.009
+ 1343TIP3    H146623  -3.889   0.580   3.086
+ 1343TIP3    H246624  -4.036   0.586   3.058
+ 1343TIP3   OH246625  -3.386   0.077   2.280
+ 1343TIP3    H146626  -3.313   0.031   2.235
+ 1343TIP3    H246627  -3.404   0.017   2.355
+ 1344TIP3   OH246628  -3.875  -0.286   1.908
+ 1344TIP3    H146629  -3.921  -0.371   1.914
+ 1344TIP3    H246630  -3.795  -0.310   1.859
+ 1344TIP3   OH246631  -3.488  -0.073   2.502
+ 1344TIP3    H146632  -3.569  -0.020   2.509
+ 1344TIP3    H246633  -3.441  -0.053   2.586
+ 1344TIP3   OH246634  -3.478   0.562   1.696
+ 1344TIP3    H146635  -3.553   0.510   1.661
+ 1344TIP3    H246636  -3.496   0.565   1.793
+ 1344TIP3   OH246637  -2.754   0.477   2.569
+ 1344TIP3    H146638  -2.706   0.531   2.504
+ 1344TIP3    H246639  -2.841   0.465   2.525
+ 1344TIP3   OH246640  -3.312   0.563   2.828
+ 1344TIP3    H146641  -3.342   0.529   2.913
+ 1344TIP3    H246642  -3.344   0.655   2.830
+ 1344TIP3   OH246643  -3.020  -0.010   1.651
+ 1344TIP3    H146644  -2.933  -0.028   1.689
+ 1344TIP3    H246645  -3.003   0.068   1.596
+ 1344TIP3   OH246646  -3.977   0.493   2.266
+ 1344TIP3    H146647  -3.908   0.485   2.197
+ 1344TIP3    H246648  -3.961   0.413   2.319
+ 1344TIP3   OH246649  -3.239   0.699   1.587
+ 1344TIP3    H146650  -3.264   0.784   1.628
+ 1344TIP3    H246651  -3.312   0.642   1.616
+ 1344TIP3   OH246652  -4.241   0.346   2.832
+ 1344TIP3    H146653  -4.229   0.281   2.903
+ 1344TIP3    H246654  -4.288   0.294   2.764
+ 1344TIP3   OH246655  -3.540   0.280   3.003
+ 1344TIP3    H146656  -3.574   0.253   2.916
+ 1344TIP3    H246657  -3.448   0.250   2.996
+ 1345TIP3   OH246658  -3.087   0.824   2.775
+ 1345TIP3    H146659  -3.184   0.830   2.770
+ 1345TIP3    H246660  -3.070   0.847   2.868
+ 1345TIP3   OH246661  -2.540   0.030   1.663
+ 1345TIP3    H146662  -2.582   0.000   1.581
+ 1345TIP3    H246663  -2.524   0.124   1.641
+ 1345TIP3   OH246664  -2.487   0.634   2.931
+ 1345TIP3    H146665  -2.582   0.653   2.913
+ 1345TIP3    H246666  -2.456   0.613   2.841
+ 1345TIP3   OH246667  -2.720   0.884   1.656
+ 1345TIP3    H146668  -2.733   0.808   1.715
+ 1345TIP3    H246669  -2.654   0.851   1.594
+ 1345TIP3   OH246670  -2.989   0.421   2.400
+ 1345TIP3    H146671  -3.082   0.406   2.377
+ 1345TIP3    H246672  -2.946   0.348   2.350
+ 1345TIP3   OH246673  -3.728   0.830   2.007
+ 1345TIP3    H146674  -3.684   0.916   1.993
+ 1345TIP3    H246675  -3.818   0.850   1.980
+ 1345TIP3   OH246676  -4.154   0.324   1.476
+ 1345TIP3    H146677  -4.081   0.378   1.513
+ 1345TIP3    H246678  -4.229   0.384   1.489
+ 1345TIP3   OH246679  -3.543   0.598   1.966
+ 1345TIP3    H146680  -3.573   0.689   1.982
+ 1345TIP3    H246681  -3.614   0.548   2.009
+ 1345TIP3   OH246682  -3.526   1.026   2.603
+ 1345TIP3    H146683  -3.467   1.097   2.571
+ 1345TIP3    H246684  -3.465   0.974   2.658
+ 1345TIP3   OH246685  -3.681   1.119   1.927
+ 1345TIP3    H146686  -3.776   1.136   1.932
+ 1345TIP3    H246687  -3.645   1.207   1.949
+ 1346TIP3   OH246688  -3.185   0.600   2.559
+ 1346TIP3    H146689  -3.215   0.571   2.647
+ 1346TIP3    H246690  -3.112   0.538   2.542
+ 1346TIP3   OH246691  -2.971   0.730   1.453
+ 1346TIP3    H146692  -2.927   0.685   1.527
+ 1346TIP3    H246693  -3.063   0.713   1.479
+ 1346TIP3   OH246694  -2.891   1.056   2.797
+ 1346TIP3    H146695  -2.967   1.010   2.756
+ 1346TIP3    H246696  -2.882   1.136   2.742
+ 1346TIP3   OH246697  -2.499   1.155   1.505
+ 1346TIP3    H146698  -2.425   1.212   1.479
+ 1346TIP3    H246699  -2.572   1.219   1.502
+ 1346TIP3   OH246700  -4.100  -0.199   2.767
+ 1346TIP3    H146701  -4.188  -0.161   2.751
+ 1346TIP3    H246702  -4.120  -0.283   2.813
+ 1346TIP3   OH246703  -2.869   0.593   1.692
+ 1346TIP3    H146704  -2.895   0.517   1.748
+ 1346TIP3    H246705  -2.772   0.590   1.698
+ 1346TIP3   OH246706  -4.129   0.973   2.613
+ 1346TIP3    H146707  -4.110   0.878   2.619
+ 1346TIP3    H246708  -4.094   1.002   2.698
+ 1346TIP3   OH246709  -3.544   0.835   1.309
+ 1346TIP3    H146710  -3.517   0.757   1.257
+ 1346TIP3    H246711  -3.587   0.793   1.385
+ 1346TIP3   OH246712  -3.663   0.785   1.582
+ 1346TIP3    H146713  -3.609   0.732   1.643
+ 1346TIP3    H246714  -3.646   0.877   1.613
+ 1346TIP3   OH246715  -3.986   0.527   1.613
+ 1346TIP3    H146716  -4.055   0.568   1.670
+ 1346TIP3    H246717  -3.936   0.607   1.589
+ 1347TIP3   OH246718  -3.209  -0.224   2.620
+ 1347TIP3    H146719  -3.150  -0.199   2.692
+ 1347TIP3    H246720  -3.260  -0.298   2.660
+ 1347TIP3   OH246721  -3.366   0.949   1.643
+ 1347TIP3    H146722  -3.448   0.999   1.660
+ 1347TIP3    H246723  -3.329   0.997   1.567
+ 1347TIP3   OH246724  -3.398  -0.074   1.842
+ 1347TIP3    H146725  -3.319  -0.018   1.857
+ 1347TIP3    H246726  -3.427  -0.092   1.934
+ 1347TIP3   OH246727  -3.365   0.013   2.757
+ 1347TIP3    H146728  -3.362   0.063   2.840
+ 1347TIP3    H246729  -3.316  -0.067   2.781
+ 1347TIP3   OH246730  -3.309  -0.363   1.924
+ 1347TIP3    H146731  -3.353  -0.311   1.994
+ 1347TIP3    H246732  -3.239  -0.301   1.899
+ 1347TIP3   OH246733  -3.646   1.056   1.642
+ 1347TIP3    H146734  -3.652   1.137   1.587
+ 1347TIP3    H246735  -3.657   1.092   1.732
+ 1347TIP3   OH246736  -3.776  -0.278   1.596
+ 1347TIP3    H146737  -3.763  -0.196   1.648
+ 1347TIP3    H246738  -3.693  -0.327   1.612
+ 1347TIP3   OH246739  -2.740  -0.186   2.845
+ 1347TIP3    H146740  -2.836  -0.174   2.832
+ 1347TIP3    H246741  -2.716  -0.212   2.755
+ 1347TIP3   OH246742  -2.890   0.197   2.245
+ 1347TIP3    H146743  -2.971   0.149   2.217
+ 1347TIP3    H246744  -2.841   0.126   2.292
+ 1347TIP3   OH246745  -3.931   0.812   1.497
+ 1347TIP3    H146746  -3.854   0.855   1.537
+ 1347TIP3    H246747  -3.887   0.757   1.431
+ 1348TIP3   OH246748  -4.117   0.026   1.418
+ 1348TIP3    H146749  -4.111   0.122   1.431
+ 1348TIP3    H246750  -4.187   0.015   1.352
+ 1348TIP3   OH246751  -2.787   1.082   2.388
+ 1348TIP3    H146752  -2.805   1.163   2.336
+ 1348TIP3    H246753  -2.695   1.097   2.412
+ 1348TIP3   OH246754  -4.028  -0.474   2.283
+ 1348TIP3    H146755  -4.061  -0.479   2.192
+ 1348TIP3    H246756  -4.065  -0.555   2.324
+ 1348TIP3   OH246757  -4.135   0.904   1.918
+ 1348TIP3    H146758  -4.225   0.932   1.899
+ 1348TIP3    H246759  -4.092   0.920   1.834
+ 1348TIP3   OH246760  -4.213   1.167   3.032
+ 1348TIP3    H146761  -4.151   1.169   3.106
+ 1348TIP3    H246762  -4.215   1.071   3.019
+ 1348TIP3   OH246763  -3.723   1.084   3.203
+ 1348TIP3    H146764  -3.658   1.017   3.229
+ 1348TIP3    H246765  -3.750   1.051   3.116
+ 1348TIP3   OH246766  -3.323   1.004   1.356
+ 1348TIP3    H146767  -3.402   0.946   1.349
+ 1348TIP3    H246768  -3.255   0.943   1.325
+ 1348TIP3   OH246769  -3.080   0.906   3.064
+ 1348TIP3    H146770  -3.118   0.825   3.103
+ 1348TIP3    H246771  -3.011   0.929   3.129
+ 1348TIP3   OH246772  -2.859   0.996   1.371
+ 1348TIP3    H146773  -2.842   0.916   1.424
+ 1348TIP3    H246774  -2.779   0.999   1.316
+ 1348TIP3   OH246775  -4.199   0.572   3.095
+ 1348TIP3    H146776  -4.188   0.481   3.065
+ 1348TIP3    H246777  -4.287   0.595   3.063
+ 1349TIP3   OH246778  -3.781   0.579   1.343
+ 1349TIP3    H146779  -3.762   0.519   1.417
+ 1349TIP3    H246780  -3.697   0.575   1.294
+ 1349TIP3   OH246781  -3.539   0.556   3.075
+ 1349TIP3    H146782  -3.569   0.587   2.987
+ 1349TIP3    H246783  -3.530   0.459   3.061
+ 1349TIP3   OH246784  -3.254   0.715   1.303
+ 1349TIP3    H146785  -3.259   0.707   1.400
+ 1349TIP3    H246786  -3.258   0.619   1.280
+ 1349TIP3   OH246787  -3.001   0.517   2.813
+ 1349TIP3    H146788  -2.924   0.572   2.795
+ 1349TIP3    H246789  -3.073   0.583   2.812
+ 1349TIP3   OH246790  -4.134   0.246   3.072
+ 1349TIP3    H146791  -4.056   0.188   3.060
+ 1349TIP3    H246792  -4.124   0.269   3.165
+ 1349TIP3   OH246793  -3.674   0.387   1.576
+ 1349TIP3    H146794  -3.733   0.335   1.631
+ 1349TIP3    H246795  -3.642   0.319   1.512
+ 1349TIP3   OH246796  -3.752   0.162   2.798
+ 1349TIP3    H146797  -3.803   0.242   2.820
+ 1349TIP3    H246798  -3.683   0.199   2.739
+ 1349TIP3   OH246799  -3.576   0.188   1.401
+ 1349TIP3    H146800  -3.580   0.197   1.304
+ 1349TIP3    H246801  -3.479   0.187   1.416
+ 1349TIP3   OH246802  -3.219   0.434   3.156
+ 1349TIP3    H146803  -3.129   0.414   3.128
+ 1349TIP3    H246804  -3.245   0.350   3.197
+ 1349TIP3   OH246805  -2.631   0.442   1.331
+ 1349TIP3    H146806  -2.629   0.394   1.247
+ 1349TIP3    H246807  -2.592   0.526   1.305
+ 1350TIP3   OH246808  -3.692  -0.108   2.916
+ 1350TIP3    H146809  -3.684  -0.175   2.845
+ 1350TIP3    H246810  -3.711  -0.028   2.865
+ 1350TIP3   OH246811  -3.659  -0.257   2.663
+ 1350TIP3    H146812  -3.606  -0.212   2.595
+ 1350TIP3    H246813  -3.749  -0.257   2.625
+ 1350TIP3   OH246814  -3.503   0.284   2.700
+ 1350TIP3    H146815  -3.419   0.274   2.653
+ 1350TIP3    H246816  -3.532   0.372   2.669
+ 1350TIP3   OH246817  -3.044   0.077   3.177
+ 1350TIP3    H146818  -3.024  -0.017   3.194
+ 1350TIP3    H246819  -2.955   0.115   3.175
+ 1350TIP3   OH246820  -2.947   0.357   3.027
+ 1350TIP3    H146821  -2.982   0.417   2.959
+ 1350TIP3    H246822  -2.859   0.338   2.990
+ 1350TIP3   OH246823  -3.880   0.084   3.087
+ 1350TIP3    H146824  -3.931   0.001   3.094
+ 1350TIP3    H246825  -3.796   0.052   3.049
+ 1350TIP3   OH246826  -3.581  -0.526   2.688
+ 1350TIP3    H146827  -3.610  -0.434   2.676
+ 1350TIP3    H246828  -3.652  -0.578   2.648
+ 1350TIP3   OH246829  -3.460  -0.069   3.074
+ 1350TIP3    H146830  -3.492  -0.094   3.162
+ 1350TIP3    H246831  -3.539  -0.091   3.021
+ 1350TIP3   OH246832  -3.204  -0.166   2.960
+ 1350TIP3    H146833  -3.292  -0.163   3.001
+ 1350TIP3    H246834  -3.158  -0.230   3.018
+ 1350TIP3   OH246835  -3.019  -0.317   3.133
+ 1350TIP3    H146836  -3.036  -0.413   3.148
+ 1350TIP3    H246837  -3.039  -0.278   3.220
+ 1351TIP3   OH246838  -4.018  -0.174   3.076
+ 1351TIP3    H146839  -4.016  -0.249   3.014
+ 1351TIP3    H246840  -4.030  -0.220   3.162
+ 1351TIP3   OH246841  -3.595  -0.577   2.977
+ 1351TIP3    H146842  -3.542  -0.659   2.982
+ 1351TIP3    H246843  -3.604  -0.570   2.880
+ 1351TIP3   OH246844  -3.504  -0.390   3.162
+ 1351TIP3    H146845  -3.529  -0.452   3.091
+ 1351TIP3    H246846  -3.579  -0.329   3.163
+ 1351TIP3   OH246847  -3.600   1.311   1.511
+ 1351TIP3    H146848  -3.504   1.323   1.522
+ 1351TIP3    H246849  -3.614   1.356   1.426
+ 1351TIP3   OH246850  -4.199   0.801   1.421
+ 1351TIP3    H146851  -4.119   0.793   1.476
+ 1351TIP3    H246852  -4.215   0.709   1.395
+ 1351TIP3   OH246853  -4.299   1.087   2.146
+ 1351TIP3    H146854  -4.281   0.996   2.179
+ 1351TIP3    H246855  -4.242   1.135   2.208
+ 1351TIP3   OH246856  -2.516   1.197   2.438
+ 1351TIP3    H146857  -2.500   1.198   2.533
+ 1351TIP3    H246858  -2.432   1.229   2.403
+ 1351TIP3   OH246859  -2.526   1.144   2.724
+ 1351TIP3    H146860  -2.578   1.069   2.690
+ 1351TIP3    H246861  -2.471   1.099   2.790
+ 1351TIP3   OH246862  -2.725   0.686   3.154
+ 1351TIP3    H146863  -2.814   0.693   3.193
+ 1351TIP3    H246864  -2.681   0.766   3.186
+ 1351TIP3   OH246865  -2.586   0.592   1.734
+ 1351TIP3    H146866  -2.491   0.616   1.741
+ 1351TIP3    H246867  -2.587   0.512   1.788
+ 1352TIP3   OH246868  -2.498   0.367   1.982
+ 1352TIP3    H146869  -2.586   0.336   1.954
+ 1352TIP3    H246870  -2.502   0.340   2.074
+ 1352TIP3   OH246871  -2.561   0.617   2.426
+ 1352TIP3    H146872  -2.501   0.573   2.363
+ 1352TIP3    H246873  -2.556   0.709   2.395
+ 1352TIP3   OH246874  -2.696   0.913   2.647
+ 1352TIP3    H146875  -2.768   0.955   2.698
+ 1352TIP3    H246876  -2.743   0.879   2.569
+ 1352TIP3   OH246877  -2.536   0.318   1.602
+ 1352TIP3    H146878  -2.555   0.332   1.508
+ 1352TIP3    H246879  -2.491   0.400   1.624
+ 1352TIP3   OH246880  -2.698   0.084   1.398
+ 1352TIP3    H146881  -2.645   0.126   1.328
+ 1352TIP3    H246882  -2.704  -0.007   1.366
+ 1352TIP3   OH246883  -2.735   0.191   2.006
+ 1352TIP3    H146884  -2.746   0.098   1.980
+ 1352TIP3    H246885  -2.781   0.195   2.091
+ 1352TIP3   OH246886  -4.254   0.439   2.406
+ 1352TIP3    H146887  -4.224   0.455   2.316
+ 1352TIP3    H246888  -4.175   0.395   2.444
+ 1352TIP3   OH246889  -2.686   0.378   2.917
+ 1352TIP3    H146890  -2.614   0.316   2.939
+ 1352TIP3    H246891  -2.640   0.462   2.905
+ 1352TIP3   OH246892  -2.530   0.189   3.040
+ 1352TIP3    H146893  -2.609   0.136   3.020
+ 1352TIP3    H246894  -2.460   0.121   3.040
+ 1352TIP3   OH246895  -2.739  -0.203   1.360
+ 1352TIP3    H146896  -2.669  -0.259   1.395
+ 1352TIP3    H246897  -2.806  -0.269   1.341
+ 1353TIP3   OH246898  -2.775  -0.056   1.820
+ 1353TIP3    H146899  -2.744  -0.149   1.829
+ 1353TIP3    H246900  -2.697  -0.017   1.777
+ 1353TIP3   OH246901  -2.737   0.000   2.367
+ 1353TIP3    H146902  -2.640   0.001   2.364
+ 1353TIP3    H246903  -2.751  -0.002   2.463
+ 1353TIP3   OH246904  -2.719   0.067   2.649
+ 1353TIP3    H146905  -2.805   0.103   2.677
+ 1353TIP3    H246906  -2.669   0.147   2.628
+ 1353TIP3   OH246907  -4.285  -0.070   3.010
+ 1353TIP3    H146908  -4.196  -0.108   3.015
+ 1353TIP3    H246909  -4.343  -0.145   3.032
+ 1353TIP3   OH246910  -2.464  -0.518   3.179
+ 1353TIP3    H146911  -2.422  -0.588   3.125
+ 1353TIP3    H246912  -2.461  -0.441   3.120
+ 1353TIP3   OH246913  -2.713  -0.333   1.827
+ 1353TIP3    H146914  -2.701  -0.373   1.914
+ 1353TIP3    H246915  -2.785  -0.386   1.789
+ 1353TIP3   OH246916  -4.194  -0.213   2.322
+ 1353TIP3    H146917  -4.161  -0.304   2.327
+ 1353TIP3    H246918  -4.115  -0.161   2.344
+ 1353TIP3   OH246919  -4.332   0.047   2.412
+ 1353TIP3    H146920  -4.294  -0.010   2.344
+ 1353TIP3    H246921  -4.304   0.134   2.382
+ 1353TIP3   OH246922  -2.526  -0.313   3.002
+ 1353TIP3    H146923  -2.614  -0.273   3.009
+ 1353TIP3    H246924  -2.539  -0.369   2.924
+ 1353TIP3   OH246925  -4.315  -0.341   1.763
+ 1353TIP3    H146926  -4.399  -0.311   1.726
+ 1353TIP3    H246927  -4.255  -0.269   1.731
+ 1354TIP3   OH246928  -2.828   1.205   2.018
+ 1354TIP3    H146929  -2.782   1.180   1.936
+ 1354TIP3    H246930  -2.755   1.241   2.070
+ 1354TIP3   OH246931  -4.294  -0.442   2.598
+ 1354TIP3    H146932  -4.360  -0.453   2.671
+ 1354TIP3    H246933  -4.343  -0.397   2.527
+ 1354TIP3   OH246934  -4.121   0.910   3.068
+ 1354TIP3    H146935  -4.168   0.844   3.016
+ 1354TIP3    H246936  -4.133   0.875   3.159
+ 1354TIP3   OH246937  -3.802   0.974   2.659
+ 1354TIP3    H146938  -3.831   1.059   2.622
+ 1354TIP3    H246939  -3.706   0.981   2.641
+ 1354TIP3   OH246940  -3.353   1.106   2.959
+ 1354TIP3    H146941  -3.338   1.086   3.053
+ 1354TIP3    H246942  -3.268   1.148   2.934
+ 1354TIP3   OH246943  -3.123   1.249   2.882
+ 1354TIP3    H146944  -3.053   1.185   2.861
+ 1354TIP3    H246945  -3.092   1.281   2.969
+ 1354TIP3   OH246946  -2.644  -0.491   2.801
+ 1354TIP3    H146947  -2.722  -0.468   2.747
+ 1354TIP3    H246948  -2.622  -0.581   2.767
+ 1354TIP3   OH246949  -4.066   1.288   2.680
+ 1354TIP3    H146950  -4.139   1.332   2.633
+ 1354TIP3    H246951  -4.102   1.280   2.768
+ 1354TIP3   OH246952  -3.812   1.247   2.554
+ 1354TIP3    H146953  -3.901   1.266   2.591
+ 1354TIP3    H246954  -3.806   1.309   2.479
+ 1354TIP3   OH246955  -3.349   1.246   2.506
+ 1354TIP3    H146956  -3.381   1.290   2.425
+ 1354TIP3    H246957  -3.331   1.322   2.565
+ 1355TIP3   OH246958  -3.109   1.118   2.593
+ 1355TIP3    H146959  -3.194   1.154   2.562
+ 1355TIP3    H246960  -3.052   1.196   2.592
+ 1355TIP3   OH246961  -2.856   1.290   2.612
+ 1355TIP3    H146962  -2.859   1.386   2.591
+ 1355TIP3    H246963  -2.826   1.254   2.526
+ 1355TIP3   OH246964  -4.124   1.153   2.379
+ 1355TIP3    H146965  -4.134   1.107   2.465
+ 1355TIP3    H246966  -4.047   1.106   2.341
+ 1355TIP3   OH246967  -3.911   1.028   2.233
+ 1355TIP3    H146968  -3.926   0.935   2.259
+ 1355TIP3    H246969  -3.819   1.043   2.263
+ 1355TIP3   OH246970  -3.632   1.070   2.318
+ 1355TIP3    H146971  -3.613   0.977   2.294
+ 1355TIP3    H246972  -3.623   1.066   2.414
+ 1355TIP3   OH246973  -3.297  -0.340   2.240
+ 1355TIP3    H146974  -3.363  -0.409   2.264
+ 1355TIP3    H246975  -3.235  -0.391   2.185
+ 1355TIP3   OH246976  -2.806  -0.589   2.275
+ 1355TIP3    H146977  -2.724  -0.542   2.250
+ 1355TIP3    H246978  -2.875  -0.531   2.239
+ 1355TIP3   OH246979  -2.595  -0.429   2.087
+ 1355TIP3    H146980  -2.527  -0.475   2.033
+ 1355TIP3    H246981  -2.560  -0.338   2.089
+ 1355TIP3   OH246982  -4.106  -0.483   1.999
+ 1355TIP3    H146983  -4.180  -0.513   1.944
+ 1355TIP3    H246984  -4.045  -0.559   1.992
+ 1355TIP3   OH246985  -4.182  -0.523   1.583
+ 1355TIP3    H146986  -4.130  -0.457   1.533
+ 1355TIP3    H246987  -4.233  -0.465   1.643
+ 1356TIP3   OH246988  -3.613  -0.481   1.988
+ 1356TIP3    H146989  -3.519  -0.463   1.979
+ 1356TIP3    H246990  -3.620  -0.493   2.083
+ 1356TIP3   OH246991  -3.049  -0.491   2.135
+ 1356TIP3    H146992  -3.042  -0.491   2.039
+ 1356TIP3    H246993  -3.092  -0.576   2.154
+ 1356TIP3   OH246994  -2.954  -0.479   1.742
+ 1356TIP3    H146995  -3.033  -0.446   1.698
+ 1356TIP3    H246996  -2.972  -0.575   1.747
+ 1356TIP3   OH246997  -4.200   1.081   1.694
+ 1356TIP3    H146998  -4.248   1.061   1.613
+ 1356TIP3    H246999  -4.182   1.176   1.683
+ 1356TIP3   OH247000  -4.006  -0.337   1.441
+ 1356TIP3    H147001  -3.949  -0.391   1.384
+ 1356TIP3    H247002  -3.941  -0.307   1.508
+ 1356TIP3   OH247003  -3.446  -0.313   1.659
+ 1356TIP3    H147004  -3.464  -0.379   1.728
+ 1356TIP3    H247005  -3.469  -0.231   1.706
+ 1356TIP3   OH247006  -3.295   1.258   1.520
+ 1356TIP3    H147007  -3.197   1.258   1.516
+ 1356TIP3    H247008  -3.314   1.192   1.451
+ 1356TIP3   OH247009  -2.648   1.162   1.779
+ 1356TIP3    H147010  -2.667   1.077   1.734
+ 1356TIP3    H247011  -2.642   1.221   1.702
+ 1356TIP3   OH247012  -4.079  -0.440   2.958
+ 1356TIP3    H147013  -4.125  -0.518   2.993
+ 1356TIP3    H247014  -3.987  -0.461   2.982
+ 1356TIP3   OH247015  -3.841  -0.507   3.132
+ 1356TIP3    H147016  -3.760  -0.544   3.091
+ 1356TIP3    H247017  -3.877  -0.586   3.174
+ 1357TIP3   OH247018  -4.013   1.178   1.385
+ 1357TIP3    H147019  -4.037   1.200   1.476
+ 1357TIP3    H247020  -3.941   1.113   1.397
+ 1357TIP3   OH247021  -3.031  -0.598   3.146
+ 1357TIP3    H147022  -3.028  -0.638   3.235
+ 1357TIP3    H247023  -2.937  -0.600   3.121
+ 1357TIP3   OH247024  -2.691   1.038   3.013
+ 1357TIP3    H147025  -2.767   1.018   2.956
+ 1357TIP3    H247026  -2.711   1.131   3.037
+ 1357TIP3   OH247027  -1.392   0.352   2.317
+ 1357TIP3    H147028  -1.394   0.321   2.409
+ 1357TIP3    H247029  -1.430   0.273   2.274
+ 1357TIP3   OH247030  -2.142   0.311   2.499
+ 1357TIP3    H147031  -2.151   0.235   2.559
+ 1357TIP3    H247032  -2.073   0.362   2.544
+ 1357TIP3   OH247033  -0.994   0.631   2.183
+ 1357TIP3    H147034  -1.013   0.555   2.239
+ 1357TIP3    H247035  -0.948   0.690   2.243
+ 1357TIP3   OH247036  -2.066   0.764   2.360
+ 1357TIP3    H147037  -2.100   0.678   2.331
+ 1357TIP3    H247038  -1.973   0.745   2.378
+ 1357TIP3   OH247039  -2.377   0.129   1.910
+ 1357TIP3    H147040  -2.434   0.202   1.881
+ 1357TIP3    H247041  -2.422   0.054   1.866
+ 1357TIP3   OH247042  -1.314   1.155   2.221
+ 1357TIP3    H147043  -1.268   1.079   2.182
+ 1357TIP3    H247044  -1.335   1.125   2.310
+ 1357TIP3   OH247045  -0.664  -0.265   2.467
+ 1357TIP3    H147046  -0.671  -0.200   2.540
+ 1357TIP3    H247047  -0.711  -0.225   2.393
+ 1358TIP3   OH247048  -1.207   0.028   2.432
+ 1358TIP3    H147049  -1.223  -0.066   2.451
+ 1358TIP3    H247050  -1.233   0.035   2.339
+ 1358TIP3   OH247051  -1.923  -0.164   2.152
+ 1358TIP3    H147052  -1.891  -0.088   2.102
+ 1358TIP3    H247053  -1.943  -0.226   2.079
+ 1358TIP3   OH247054  -2.236   0.157   2.176
+ 1358TIP3    H147055  -2.191   0.106   2.246
+ 1358TIP3    H247056  -2.252   0.086   2.110
+ 1358TIP3   OH247057  -1.713   0.249   2.161
+ 1358TIP3    H147058  -1.644   0.187   2.192
+ 1358TIP3    H247059  -1.763   0.190   2.101
+ 1358TIP3   OH247060  -0.607  -0.100   2.691
+ 1358TIP3    H147061  -0.676  -0.031   2.684
+ 1358TIP3    H247062  -0.607  -0.115   2.787
+ 1358TIP3   OH247063  -2.031  -0.279   2.565
+ 1358TIP3    H147064  -2.076  -0.237   2.490
+ 1358TIP3    H247065  -2.098  -0.270   2.635
+ 1358TIP3   OH247066  -2.078  -0.071   2.356
+ 1358TIP3    H147067  -2.006  -0.023   2.401
+ 1358TIP3    H247068  -2.026  -0.113   2.283
+ 1358TIP3   OH247069  -1.896   0.662   2.637
+ 1358TIP3    H147070  -1.926   0.750   2.608
+ 1358TIP3    H247071  -1.979   0.628   2.674
+ 1358TIP3   OH247072  -2.319   0.650   1.750
+ 1358TIP3    H147073  -2.290   0.666   1.659
+ 1358TIP3    H247074  -2.280   0.723   1.800
+ 1358TIP3   OH247075  -0.968   0.811   2.436
+ 1358TIP3    H147076  -1.061   0.827   2.421
+ 1358TIP3    H247077  -0.928   0.891   2.396
+ 1359TIP3   OH247078  -0.958  -0.299   2.569
+ 1359TIP3    H147079  -1.029  -0.245   2.533
+ 1359TIP3    H247080  -0.895  -0.305   2.496
+ 1359TIP3   OH247081  -1.604  -0.529   2.278
+ 1359TIP3    H147082  -1.628  -0.623   2.267
+ 1359TIP3    H247083  -1.687  -0.489   2.309
+ 1359TIP3   OH247084  -1.126   0.971   2.044
+ 1359TIP3    H147085  -1.061   0.902   2.024
+ 1359TIP3    H247086  -1.069   1.049   2.053
+ 1359TIP3   OH247087  -0.846   0.665   2.784
+ 1359TIP3    H147088  -0.844   0.600   2.711
+ 1359TIP3    H247089  -0.823   0.748   2.739
+ 1359TIP3   OH247090  -0.657   0.264   2.553
+ 1359TIP3    H147091  -0.714   0.340   2.575
+ 1359TIP3    H247092  -0.600   0.301   2.483
+ 1359TIP3   OH247093  -1.077   0.210   2.744
+ 1359TIP3    H147094  -1.073   0.286   2.803
+ 1359TIP3    H247095  -1.144   0.242   2.681
+ 1359TIP3   OH247096  -1.918   0.428   2.045
+ 1359TIP3    H147097  -1.917   0.412   1.950
+ 1359TIP3    H247098  -1.839   0.379   2.075
+ 1359TIP3   OH247099  -1.746   0.746   2.324
+ 1359TIP3    H147100  -1.775   0.739   2.231
+ 1359TIP3    H247101  -1.653   0.722   2.317
+ 1359TIP3   OH247102  -1.843   0.351   2.397
+ 1359TIP3    H147103  -1.787   0.326   2.321
+ 1359TIP3    H247104  -1.781   0.386   2.461
+ 1359TIP3   OH247105  -1.284   0.862   2.463
+ 1359TIP3    H147106  -1.251   0.939   2.512
+ 1359TIP3    H247107  -1.249   0.787   2.512
+ 1360TIP3   OH247108  -1.753   0.752   2.865
+ 1360TIP3    H147109  -1.799   0.812   2.927
+ 1360TIP3    H247110  -1.828   0.723   2.810
+ 1360TIP3   OH247111  -2.062   0.395   2.779
+ 1360TIP3    H147112  -2.059   0.444   2.864
+ 1360TIP3    H247113  -2.157   0.372   2.776
+ 1360TIP3   OH247114  -1.947   0.963   2.950
+ 1360TIP3    H147115  -1.963   0.960   2.855
+ 1360TIP3    H247116  -2.034   0.939   2.987
+ 1360TIP3   OH247117  -2.397   0.575   2.664
+ 1360TIP3    H147118  -2.451   0.576   2.583
+ 1360TIP3    H247119  -2.389   0.479   2.683
+ 1360TIP3   OH247120  -2.395   0.866   2.361
+ 1360TIP3    H147121  -2.301   0.843   2.371
+ 1360TIP3    H247122  -2.406   0.930   2.432
+ 1360TIP3   OH247123  -0.556   0.933   2.938
+ 1360TIP3    H147124  -0.563   0.839   2.917
+ 1360TIP3    H247125  -0.648   0.954   2.966
+ 1360TIP3   OH247126  -1.500   0.846   2.808
+ 1360TIP3    H147127  -1.473   0.922   2.865
+ 1360TIP3    H247128  -1.579   0.816   2.860
+ 1360TIP3   OH247129  -2.071   1.154   1.968
+ 1360TIP3    H147130  -2.049   1.100   2.046
+ 1360TIP3    H247131  -2.142   1.104   1.927
+ 1360TIP3   OH247132  -1.162   1.150   1.798
+ 1360TIP3    H147133  -1.258   1.155   1.800
+ 1360TIP3    H247134  -1.144   1.072   1.853
+ 1360TIP3   OH247135  -0.877   0.064   2.977
+ 1360TIP3    H147136  -0.931   0.101   2.905
+ 1360TIP3    H247137  -0.873  -0.030   2.951
+ 1361TIP3   OH247138  -2.159   0.727   2.777
+ 1361TIP3    H147139  -2.139   0.689   2.865
+ 1361TIP3    H247140  -2.241   0.680   2.754
+ 1361TIP3   OH247141  -1.859  -0.423   2.371
+ 1361TIP3    H147142  -1.932  -0.433   2.309
+ 1361TIP3    H247143  -1.892  -0.350   2.425
+ 1361TIP3   OH247144  -1.425  -0.455   2.738
+ 1361TIP3    H147145  -1.371  -0.511   2.797
+ 1361TIP3    H247146  -1.514  -0.495   2.745
+ 1361TIP3   OH247147  -1.109  -0.083   2.784
+ 1361TIP3    H147148  -1.171  -0.105   2.856
+ 1361TIP3    H247149  -1.120   0.013   2.774
+ 1361TIP3   OH247150  -1.875   0.063   2.508
+ 1361TIP3    H147151  -1.937   0.061   2.583
+ 1361TIP3    H247152  -1.883   0.154   2.476
+ 1361TIP3   OH247153  -1.891   0.089   1.986
+ 1361TIP3    H147154  -1.978   0.047   1.971
+ 1361TIP3    H247155  -1.846   0.066   1.901
+ 1361TIP3   OH247156  -1.404   0.140   3.007
+ 1361TIP3    H147157  -1.453   0.064   3.046
+ 1361TIP3    H247158  -1.316   0.128   3.048
+ 1361TIP3   OH247159  -1.238   0.099   2.098
+ 1361TIP3    H147160  -1.265   0.127   2.010
+ 1361TIP3    H247161  -1.249   0.002   2.091
+ 1361TIP3   OH247162  -2.140   0.076   2.691
+ 1361TIP3    H147163  -2.115   0.100   2.781
+ 1361TIP3    H247164  -2.177  -0.013   2.706
+ 1361TIP3   OH247165  -2.456  -0.174   2.058
+ 1361TIP3    H147166  -2.389  -0.196   2.125
+ 1361TIP3    H247167  -2.420  -0.212   1.975
+ 1362TIP3   OH247168  -2.276  -0.120   1.592
+ 1362TIP3    H147169  -2.252  -0.061   1.520
+ 1362TIP3    H247170  -2.364  -0.092   1.617
+ 1362TIP3   OH247171  -1.336   0.226   2.595
+ 1362TIP3    H147172  -1.290   0.157   2.542
+ 1362TIP3    H247173  -1.370   0.171   2.668
+ 1362TIP3   OH247174  -1.593  -0.146   2.124
+ 1362TIP3    H147175  -1.665  -0.189   2.076
+ 1362TIP3    H247176  -1.556  -0.220   2.173
+ 1362TIP3   OH247177  -2.142  -0.058   1.964
+ 1362TIP3    H147178  -2.226  -0.048   1.916
+ 1362TIP3    H247179  -2.106  -0.139   1.922
+ 1362TIP3   OH247180  -1.776   0.034   1.739
+ 1362TIP3    H147181  -1.721  -0.046   1.723
+ 1362TIP3    H247182  -1.792   0.065   1.649
+ 1362TIP3   OH247183  -0.873   1.313   3.066
+ 1362TIP3    H147184  -0.849   1.359   2.984
+ 1362TIP3    H247185  -0.803   1.344   3.126
+ 1362TIP3   OH247186  -2.072   0.576   3.010
+ 1362TIP3    H147187  -2.008   0.584   3.084
+ 1362TIP3    H247188  -2.155   0.575   3.062
+ 1362TIP3   OH247189  -1.488   0.086   2.290
+ 1362TIP3    H147190  -1.469   0.024   2.217
+ 1362TIP3    H247191  -1.519   0.022   2.358
+ 1362TIP3   OH247192  -1.965  -0.278   1.889
+ 1362TIP3    H147193  -2.013  -0.361   1.878
+ 1362TIP3    H247194  -1.884  -0.296   1.838
+ 1362TIP3   OH247195  -1.600  -0.071   2.501
+ 1362TIP3    H147196  -1.685  -0.025   2.509
+ 1362TIP3    H247197  -1.556  -0.052   2.585
+ 1363TIP3   OH247198  -0.870   0.474   2.568
+ 1363TIP3    H147199  -0.815   0.525   2.505
+ 1363TIP3    H247200  -0.954   0.465   2.518
+ 1363TIP3   OH247201  -2.106   0.464   2.239
+ 1363TIP3    H147202  -2.023   0.474   2.188
+ 1363TIP3    H247203  -2.075   0.412   2.315
+ 1363TIP3   OH247204  -2.351   0.327   2.804
+ 1363TIP3    H147205  -2.337   0.285   2.891
+ 1363TIP3    H247206  -2.414   0.267   2.761
+ 1363TIP3   OH247207  -1.654   0.285   2.997
+ 1363TIP3    H147208  -1.694   0.245   2.918
+ 1363TIP3    H247209  -1.564   0.249   2.995
+ 1363TIP3   OH247210  -1.208   0.806   2.777
+ 1363TIP3    H147211  -1.299   0.838   2.777
+ 1363TIP3    H247212  -1.175   0.843   2.862
+ 1363TIP3   OH247213  -0.606   0.627   2.934
+ 1363TIP3    H147214  -0.698   0.653   2.914
+ 1363TIP3    H247215  -0.569   0.614   2.844
+ 1363TIP3   OH247216  -1.107   0.417   2.384
+ 1363TIP3    H147217  -1.196   0.379   2.377
+ 1363TIP3    H247218  -1.055   0.345   2.341
+ 1363TIP3   OH247219  -1.837   0.839   2.035
+ 1363TIP3    H147220  -1.780   0.882   1.970
+ 1363TIP3    H247221  -1.920   0.836   1.985
+ 1363TIP3   OH247222  -2.239   0.347   1.526
+ 1363TIP3    H147223  -2.161   0.386   1.484
+ 1363TIP3    H247224  -2.295   0.333   1.449
+ 1363TIP3   OH247225  -1.626   1.002   2.600
+ 1363TIP3    H147226  -1.591   1.087   2.567
+ 1363TIP3    H247227  -1.578   0.996   2.684
+ 1364TIP3   OH247228  -1.336   0.588   2.583
+ 1364TIP3    H147229  -1.294   0.580   2.670
+ 1364TIP3    H247230  -1.269   0.542   2.530
+ 1364TIP3   OH247231  -1.008   1.057   2.797
+ 1364TIP3    H147232  -1.083   1.019   2.748
+ 1364TIP3    H247233  -0.990   1.138   2.746
+ 1364TIP3   OH247234  -2.220  -0.205   2.765
+ 1364TIP3    H147235  -2.312  -0.182   2.740
+ 1364TIP3    H247236  -2.233  -0.292   2.806
+ 1364TIP3   OH247237  -2.241   0.966   2.607
+ 1364TIP3    H147238  -2.211   0.877   2.630
+ 1364TIP3    H247239  -2.228   1.012   2.691
+ 1364TIP3   OH247240  -1.313  -0.211   2.601
+ 1364TIP3    H147241  -1.248  -0.199   2.671
+ 1364TIP3    H247242  -1.363  -0.289   2.632
+ 1364TIP3   OH247243  -1.467   0.023   2.755
+ 1364TIP3    H147244  -1.465   0.062   2.845
+ 1364TIP3    H247245  -1.429  -0.064   2.773
+ 1364TIP3   OH247246  -0.854  -0.185   2.843
+ 1364TIP3    H147247  -0.950  -0.177   2.830
+ 1364TIP3    H247248  -0.829  -0.215   2.754
+ 1364TIP3   OH247249  -1.006   0.202   2.239
+ 1364TIP3    H147250  -1.071   0.159   2.181
+ 1364TIP3    H247251  -0.948   0.126   2.260
+ 1364TIP3   OH247252  -0.903   1.085   2.390
+ 1364TIP3    H147253  -0.919   1.166   2.337
+ 1364TIP3    H247254  -0.809   1.099   2.411
+ 1364TIP3   OH247255  -2.146  -0.466   2.287
+ 1364TIP3    H147256  -2.159  -0.470   2.189
+ 1364TIP3    H247257  -2.178  -0.553   2.315
+ 1365TIP3   OH247258  -2.247   0.879   1.918
+ 1365TIP3    H147259  -2.328   0.929   1.933
+ 1365TIP3    H247260  -2.210   0.926   1.842
+ 1365TIP3   OH247261  -2.308   1.171   3.025
+ 1365TIP3    H147262  -2.254   1.147   3.103
+ 1365TIP3    H247263  -2.351   1.086   3.003
+ 1365TIP3   OH247264  -1.842   1.081   3.205
+ 1365TIP3    H147265  -1.775   1.016   3.230
+ 1365TIP3    H247266  -1.864   1.052   3.115
+ 1365TIP3   OH247267  -1.191   0.902   3.060
+ 1365TIP3    H147268  -1.231   0.825   3.105
+ 1365TIP3    H247269  -1.125   0.930   3.126
+ 1365TIP3   OH247270  -2.314   0.536   3.139
+ 1365TIP3    H147271  -2.307   0.445   3.109
+ 1365TIP3    H247272  -2.392   0.567   3.089
+ 1365TIP3   OH247273  -1.650   0.559   3.074
+ 1365TIP3    H147274  -1.683   0.586   2.987
+ 1365TIP3    H247275  -1.634   0.463   3.061
+ 1365TIP3   OH247276  -1.129   0.528   2.803
+ 1365TIP3    H147277  -1.037   0.557   2.790
+ 1365TIP3    H247278  -1.170   0.614   2.825
+ 1365TIP3   OH247279  -2.228   0.252   3.057
+ 1365TIP3    H147280  -2.158   0.184   3.058
+ 1365TIP3    H247281  -2.235   0.272   3.151
+ 1365TIP3   OH247282  -1.860   0.161   2.802
+ 1365TIP3    H147283  -1.917   0.236   2.828
+ 1365TIP3    H247284  -1.805   0.201   2.733
+ 1365TIP3   OH247285  -1.332   0.432   3.156
+ 1365TIP3    H147286  -1.240   0.412   3.133
+ 1365TIP3    H247287  -1.358   0.350   3.201
+ 1366TIP3   OH247288  -1.803  -0.108   2.915
+ 1366TIP3    H147289  -1.799  -0.176   2.845
+ 1366TIP3    H247290  -1.829  -0.029   2.864
+ 1366TIP3   OH247291  -1.774  -0.255   2.663
+ 1366TIP3    H147292  -1.721  -0.217   2.591
+ 1366TIP3    H247293  -1.863  -0.262   2.624
+ 1366TIP3   OH247294  -1.632   0.308   2.671
+ 1366TIP3    H147295  -1.542   0.279   2.646
+ 1366TIP3    H247296  -1.636   0.398   2.641
+ 1366TIP3   OH247297  -1.158   0.077   3.176
+ 1366TIP3    H147298  -1.140  -0.016   3.194
+ 1366TIP3    H247299  -1.069   0.114   3.175
+ 1366TIP3   OH247300  -1.061   0.356   3.023
+ 1366TIP3    H147301  -1.095   0.419   2.957
+ 1366TIP3    H247302  -0.970   0.341   2.990
+ 1366TIP3   OH247303  -1.983   0.078   3.089
+ 1366TIP3    H147304  -2.038  -0.002   3.097
+ 1366TIP3    H247305  -1.901   0.041   3.052
+ 1366TIP3   OH247306  -1.699  -0.527   2.697
+ 1366TIP3    H147307  -1.717  -0.433   2.680
+ 1366TIP3    H247308  -1.766  -0.571   2.640
+ 1366TIP3   OH247309  -1.575  -0.067   3.073
+ 1366TIP3    H147310  -1.606  -0.093   3.162
+ 1366TIP3    H247311  -1.655  -0.092   3.021
+ 1366TIP3   OH247312  -1.319  -0.164   2.961
+ 1366TIP3    H147313  -1.408  -0.166   3.001
+ 1366TIP3    H247314  -1.272  -0.230   3.016
+ 1366TIP3   OH247315  -1.133  -0.317   3.133
+ 1366TIP3    H147316  -1.149  -0.412   3.146
+ 1366TIP3    H247317  -1.154  -0.277   3.219
+ 1367TIP3   OH247318  -2.117  -0.177   3.078
+ 1367TIP3    H147319  -2.126  -0.249   3.013
+ 1367TIP3    H247320  -2.139  -0.225   3.161
+ 1367TIP3   OH247321  -1.714  -0.578   2.977
+ 1367TIP3    H147322  -1.656  -0.656   2.982
+ 1367TIP3    H247323  -1.717  -0.565   2.881
+ 1367TIP3   OH247324  -1.619  -0.390   3.161
+ 1367TIP3    H147325  -1.647  -0.451   3.090
+ 1367TIP3    H247326  -1.693  -0.327   3.165
+ 1367TIP3   OH247327  -1.674   1.264   1.510
+ 1367TIP3    H147328  -1.587   1.302   1.525
+ 1367TIP3    H247329  -1.711   1.329   1.448
+ 1367TIP3   OH247330  -2.291   0.741   1.451
+ 1367TIP3    H147331  -2.193   0.741   1.449
+ 1367TIP3    H247332  -2.303   0.664   1.392
+ 1367TIP3   OH247333  -2.427   1.273   1.941
+ 1367TIP3    H147334  -2.496   1.232   1.884
+ 1367TIP3    H247335  -2.412   1.202   2.006
+ 1367TIP3   OH247336  -2.386   1.074   2.138
+ 1367TIP3    H147337  -2.413   0.986   2.168
+ 1367TIP3    H247338  -2.348   1.109   2.220
+ 1367TIP3   OH247339  -0.632   1.203   2.440
+ 1367TIP3    H147340  -0.606   1.192   2.533
+ 1367TIP3    H247341  -0.547   1.223   2.397
+ 1367TIP3   OH247342  -0.642   1.160   2.735
+ 1367TIP3    H147343  -0.691   1.085   2.696
+ 1367TIP3    H247344  -0.583   1.111   2.794
+ 1367TIP3   OH247345  -0.841   0.689   3.152
+ 1367TIP3    H147346  -0.928   0.694   3.196
+ 1367TIP3    H247347  -0.795   0.766   3.186
+ 1368TIP3   OH247348  -0.680   0.618   2.421
+ 1368TIP3    H147349  -0.621   0.570   2.361
+ 1368TIP3    H247350  -0.661   0.710   2.397
+ 1368TIP3   OH247351  -0.804   0.919   2.655
+ 1368TIP3    H147352  -0.877   0.958   2.707
+ 1368TIP3    H247353  -0.850   0.882   2.578
+ 1368TIP3   OH247354  -2.376   0.395   2.358
+ 1368TIP3    H147355  -2.330   0.381   2.275
+ 1368TIP3    H247356  -2.300   0.384   2.418
+ 1368TIP3   OH247357  -0.800   0.379   2.917
+ 1368TIP3    H147358  -0.729   0.315   2.939
+ 1368TIP3    H247359  -0.750   0.461   2.905
+ 1368TIP3   OH247360  -0.647   0.189   3.044
+ 1368TIP3    H147361  -0.724   0.132   3.021
+ 1368TIP3    H247362  -0.574   0.125   3.040
+ 1368TIP3   OH247363  -0.841  -0.013   2.374
+ 1368TIP3    H147364  -0.765   0.045   2.367
+ 1368TIP3    H247365  -0.870   0.004   2.466
+ 1368TIP3   OH247366  -0.836   0.067   2.646
+ 1368TIP3    H147367  -0.922   0.102   2.678
+ 1368TIP3    H247368  -0.786   0.149   2.629
+ 1368TIP3   OH247369  -2.384  -0.057   3.016
+ 1368TIP3    H147370  -2.291  -0.085   3.022
+ 1368TIP3    H247371  -2.430  -0.143   3.023
+ 1368TIP3   OH247372  -0.587  -0.533   3.186
+ 1368TIP3    H147373  -0.539  -0.599   3.132
+ 1368TIP3    H247374  -0.579  -0.453   3.131
+ 1368TIP3   OH247375  -2.310  -0.226   2.303
+ 1368TIP3    H147376  -2.264  -0.312   2.301
+ 1368TIP3    H247377  -2.238  -0.166   2.329
+ 1369TIP3   OH247378  -2.451   0.044   2.404
+ 1369TIP3    H147379  -2.400   0.029   2.324
+ 1369TIP3    H247380  -2.412   0.124   2.441
+ 1369TIP3   OH247381  -0.641  -0.320   3.011
+ 1369TIP3    H147382  -0.729  -0.278   3.012
+ 1369TIP3    H247383  -0.649  -0.373   2.930
+ 1369TIP3   OH247384  -2.403  -0.290   1.810
+ 1369TIP3    H147385  -2.488  -0.327   1.780
+ 1369TIP3    H247386  -2.348  -0.310   1.732
+ 1369TIP3   OH247387  -0.934   1.187   2.018
+ 1369TIP3    H147388  -0.892   1.171   1.931
+ 1369TIP3    H247389  -0.867   1.241   2.061
+ 1369TIP3   OH247390  -2.400  -0.431   2.626
+ 1369TIP3    H147391  -2.471  -0.466   2.681
+ 1369TIP3    H247392  -2.450  -0.384   2.557
+ 1369TIP3   OH247393  -2.200   0.869   3.081
+ 1369TIP3    H147394  -2.280   0.877   3.025
+ 1369TIP3    H247395  -2.237   0.868   3.170
+ 1369TIP3   OH247396  -1.915   0.956   2.650
+ 1369TIP3    H147397  -1.958   1.039   2.622
+ 1369TIP3    H247398  -1.821   0.980   2.637
+ 1369TIP3   OH247399  -1.461   1.091   2.951
+ 1369TIP3    H147400  -1.455   1.083   3.048
+ 1369TIP3    H247401  -1.383   1.147   2.932
+ 1369TIP3   OH247402  -1.238   1.247   2.882
+ 1369TIP3    H147403  -1.166   1.185   2.863
+ 1369TIP3    H247404  -1.210   1.282   2.968
+ 1369TIP3   OH247405  -0.758  -0.493   2.803
+ 1369TIP3    H147406  -0.838  -0.480   2.750
+ 1369TIP3    H247407  -0.730  -0.581   2.771
+ 1370TIP3   OH247408  -2.180   1.266   2.691
+ 1370TIP3    H147409  -2.238   1.330   2.646
+ 1370TIP3    H247410  -2.211   1.275   2.782
+ 1370TIP3   OH247411  -1.926   1.240   2.546
+ 1370TIP3    H147412  -2.012   1.259   2.589
+ 1370TIP3    H247413  -1.923   1.310   2.478
+ 1370TIP3   OH247414  -1.455   1.244   2.501
+ 1370TIP3    H147415  -1.493   1.288   2.422
+ 1370TIP3    H247416  -1.447   1.320   2.562
+ 1370TIP3   OH247417  -1.221   1.113   2.586
+ 1370TIP3    H147418  -1.306   1.154   2.559
+ 1370TIP3    H247419  -1.163   1.191   2.590
+ 1370TIP3   OH247420  -0.967   1.291   2.617
+ 1370TIP3    H147421  -0.972   1.386   2.595
+ 1370TIP3    H247422  -0.936   1.256   2.532
+ 1370TIP3   OH247423  -2.223   1.149   2.386
+ 1370TIP3    H147424  -2.224   1.099   2.471
+ 1370TIP3    H247425  -2.148   1.105   2.340
+ 1370TIP3   OH247426  -2.023   1.022   2.239
+ 1370TIP3    H147427  -2.034   0.927   2.259
+ 1370TIP3    H247428  -1.930   1.038   2.261
+ 1370TIP3   OH247429  -1.741   1.070   2.315
+ 1370TIP3    H147430  -1.725   0.977   2.295
+ 1370TIP3    H247431  -1.747   1.070   2.412
+ 1370TIP3   OH247432  -0.877  -0.482   2.243
+ 1370TIP3    H147433  -0.823  -0.489   2.163
+ 1370TIP3    H247434  -0.964  -0.516   2.215
+ 1370TIP3   OH247435  -2.188  -0.476   2.013
+ 1370TIP3    H147436  -2.260  -0.479   1.946
+ 1370TIP3    H247437  -2.132  -0.548   1.981
+ 1371TIP3   OH247438  -1.734  -0.475   1.997
+ 1371TIP3    H147439  -1.650  -0.451   1.956
+ 1371TIP3    H247440  -1.707  -0.511   2.083
+ 1371TIP3   OH247441  -1.153  -0.555   2.196
+ 1371TIP3    H147442  -1.183  -0.501   2.123
+ 1371TIP3    H247443  -1.222  -0.624   2.199
+ 1371TIP3   OH247444  -2.277   1.078   1.715
+ 1371TIP3    H147445  -2.333   1.057   1.638
+ 1371TIP3    H247446  -2.281   1.175   1.713
+ 1371TIP3   OH247447  -0.767   1.120   1.763
+ 1371TIP3    H147448  -0.779   1.052   1.697
+ 1371TIP3    H247449  -0.757   1.199   1.706
+ 1371TIP3   OH247450  -2.196  -0.445   2.958
+ 1371TIP3    H147451  -2.237  -0.527   2.992
+ 1371TIP3    H247452  -2.103  -0.460   2.982
+ 1371TIP3   OH247453  -1.957  -0.507   3.131
+ 1371TIP3    H147454  -1.875  -0.543   3.090
+ 1371TIP3    H247455  -1.992  -0.587   3.173
+ 1371TIP3   OH247456  -2.148   1.175   1.391
+ 1371TIP3    H147457  -2.157   1.197   1.485
+ 1371TIP3    H247458  -2.068   1.119   1.390
+ 1371TIP3   OH247459  -1.146  -0.596   3.147
+ 1371TIP3    H147460  -1.141  -0.637   3.235
+ 1371TIP3    H247461  -1.053  -0.600   3.118
+ 1371TIP3   OH247462  -0.808   1.036   3.015
+ 1371TIP3    H147463  -0.885   1.018   2.958
+ 1371TIP3    H247464  -0.825   1.129   3.039
+ 1371TIP3   OH247465   0.633   0.396   2.034
+ 1371TIP3    H147466   0.647   0.491   2.037
+ 1371TIP3    H247467   0.567   0.389   1.964
+ 1372TIP3   OH247468   0.489   0.349   2.333
+ 1372TIP3    H147469   0.496   0.294   2.413
+ 1372TIP3    H247470   0.474   0.282   2.264
+ 1372TIP3   OH247471  -0.261   0.313   2.502
+ 1372TIP3    H147472  -0.259   0.237   2.563
+ 1372TIP3    H247473  -0.187   0.366   2.536
+ 1372TIP3   OH247474   0.866   0.626   2.164
+ 1372TIP3    H147475   0.829   0.552   2.214
+ 1372TIP3    H247476   0.891   0.687   2.234
+ 1372TIP3   OH247477  -0.194   0.763   2.352
+ 1372TIP3    H147478  -0.213   0.672   2.322
+ 1372TIP3    H247479  -0.099   0.757   2.371
+ 1372TIP3   OH247480   0.575   1.160   2.226
+ 1372TIP3    H147481   0.631   1.086   2.195
+ 1372TIP3    H247482   0.544   1.127   2.311
+ 1372TIP3   OH247483   0.344   0.598   2.395
+ 1372TIP3    H147484   0.378   0.529   2.335
+ 1372TIP3    H247485   0.426   0.615   2.445
+ 1372TIP3   OH247486   1.214  -0.250   2.459
+ 1372TIP3    H147487   1.236  -0.186   2.529
+ 1372TIP3    H247488   1.272  -0.219   2.387
+ 1372TIP3   OH247489   0.673   0.035   2.437
+ 1372TIP3    H147490   0.686  -0.062   2.443
+ 1372TIP3    H247491   0.665   0.046   2.341
+ 1372TIP3   OH247492  -0.011  -0.138   2.151
+ 1372TIP3    H147493  -0.012  -0.079   2.076
+ 1372TIP3    H247494   0.008  -0.226   2.111
+ 1372TIP3   OH247495   0.766  -0.134   1.986
+ 1372TIP3    H147496   0.827  -0.189   2.038
+ 1372TIP3    H247497   0.820  -0.105   1.912
+ 1373TIP3   OH247498   0.155   0.222   2.121
+ 1373TIP3    H147499   0.236   0.186   2.162
+ 1373TIP3    H247500   0.100   0.143   2.116
+ 1373TIP3   OH247501   1.287  -0.109   2.707
+ 1373TIP3    H147502   1.226  -0.039   2.677
+ 1373TIP3    H247503   1.261  -0.116   2.800
+ 1373TIP3   OH247504  -0.151  -0.271   2.552
+ 1373TIP3    H147505  -0.182  -0.209   2.484
+ 1373TIP3    H247506  -0.215  -0.256   2.624
+ 1373TIP3   OH247507   0.603   0.691   1.896
+ 1373TIP3    H147508   0.576   0.674   1.804
+ 1373TIP3    H247509   0.552   0.771   1.916
+ 1373TIP3   OH247510   0.142   0.500   2.578
+ 1373TIP3    H147511   0.072   0.563   2.603
+ 1373TIP3    H247512   0.208   0.559   2.536
+ 1373TIP3   OH247513   0.958  -0.238   2.188
+ 1373TIP3    H147514   0.899  -0.282   2.250
+ 1373TIP3    H247515   0.989  -0.162   2.241
+ 1373TIP3   OH247516  -0.184  -0.074   2.346
+ 1373TIP3    H147517  -0.122  -0.017   2.396
+ 1373TIP3    H247518  -0.119  -0.110   2.280
+ 1373TIP3   OH247519  -0.058   0.688   2.651
+ 1373TIP3    H147520  -0.058   0.780   2.620
+ 1373TIP3    H247521  -0.143   0.686   2.700
+ 1373TIP3   OH247522   0.921   0.804   2.421
+ 1373TIP3    H147523   0.824   0.815   2.421
+ 1373TIP3    H247524   0.948   0.889   2.382
+ 1373TIP3   OH247525   0.953  -0.305   2.572
+ 1373TIP3    H147526   0.874  -0.270   2.525
+ 1373TIP3    H247527   1.024  -0.290   2.507
+ 1374TIP3   OH247528   0.269  -0.532   2.288
+ 1374TIP3    H147529   0.249  -0.621   2.255
+ 1374TIP3    H247530   0.180  -0.492   2.290
+ 1374TIP3   OH247531   0.755   0.994   2.076
+ 1374TIP3    H147532   0.798   0.915   2.038
+ 1374TIP3    H247533   0.820   1.064   2.055
+ 1374TIP3   OH247534   0.900   0.774   1.906
+ 1374TIP3    H147535   0.833   0.729   1.854
+ 1374TIP3    H247536   0.901   0.720   1.987
+ 1374TIP3   OH247537   1.052   0.666   2.786
+ 1374TIP3    H147538   1.039   0.602   2.714
+ 1374TIP3    H247539   1.061   0.750   2.737
+ 1374TIP3   OH247540   0.511   0.368   1.742
+ 1374TIP3    H147541   0.435   0.424   1.720
+ 1374TIP3    H247542   0.570   0.392   1.670
+ 1374TIP3   OH247543   1.228   0.285   2.576
+ 1374TIP3    H147544   1.155   0.349   2.585
+ 1374TIP3    H247545   1.274   0.321   2.498
+ 1374TIP3   OH247546   0.810   0.210   2.748
+ 1374TIP3    H147547   0.816   0.293   2.798
+ 1374TIP3    H247548   0.748   0.239   2.679
+ 1374TIP3   OH247549  -0.029   0.415   2.017
+ 1374TIP3    H147550  -0.044   0.387   1.926
+ 1374TIP3    H247551   0.045   0.359   2.046
+ 1374TIP3   OH247552   0.116   0.766   2.316
+ 1374TIP3    H147553   0.116   0.739   2.223
+ 1374TIP3    H247554   0.199   0.727   2.348
+ 1374TIP3   OH247555   0.044   0.316   2.384
+ 1374TIP3    H147556   0.105   0.323   2.308
+ 1374TIP3    H247557   0.084   0.379   2.447
+ 1375TIP3   OH247558   0.640   0.866   2.447
+ 1375TIP3    H147559   0.641   0.935   2.516
+ 1375TIP3    H247560   0.618   0.785   2.496
+ 1375TIP3   OH247561   0.130   0.743   2.876
+ 1375TIP3    H147562   0.083   0.815   2.922
+ 1375TIP3    H247563   0.068   0.723   2.803
+ 1375TIP3   OH247564  -0.179   0.389   2.784
+ 1375TIP3    H147565  -0.171   0.445   2.864
+ 1375TIP3    H247566  -0.275   0.375   2.779
+ 1375TIP3   OH247567   0.464   0.961   1.970
+ 1375TIP3    H147568   0.517   0.995   2.042
+ 1375TIP3    H247569   0.421   1.040   1.933
+ 1375TIP3   OH247570  -0.062   0.966   2.954
+ 1375TIP3    H147571  -0.071   0.970   2.858
+ 1375TIP3    H247572  -0.149   0.935   2.985
+ 1375TIP3   OH247573  -0.518   0.574   2.666
+ 1375TIP3    H147574  -0.559   0.574   2.577
+ 1375TIP3    H247575  -0.500   0.480   2.682
+ 1375TIP3   OH247576  -0.512   0.864   2.364
+ 1375TIP3    H147577  -0.419   0.838   2.362
+ 1375TIP3    H247578  -0.511   0.930   2.435
+ 1375TIP3   OH247579   1.329   0.929   2.938
+ 1375TIP3    H147580   1.317   0.834   2.920
+ 1375TIP3    H247581   1.238   0.953   2.966
+ 1375TIP3   OH247582   0.395   0.857   2.823
+ 1375TIP3    H147583   0.403   0.942   2.873
+ 1375TIP3    H247584   0.305   0.830   2.848
+ 1375TIP3   OH247585   0.420   1.235   1.811
+ 1375TIP3    H147586   0.420   1.232   1.714
+ 1375TIP3    H247587   0.432   1.328   1.832
+ 1376TIP3   OH247588  -0.219   1.122   1.963
+ 1376TIP3    H147589  -0.206   1.080   2.049
+ 1376TIP3    H247590  -0.298   1.077   1.928
+ 1376TIP3   OH247591   0.759   1.162   1.496
+ 1376TIP3    H147592   0.806   1.090   1.452
+ 1376TIP3    H247593   0.761   1.136   1.589
+ 1376TIP3   OH247594   0.697   1.133   1.794
+ 1376TIP3    H147595   0.600   1.135   1.807
+ 1376TIP3    H247596   0.719   1.056   1.848
+ 1376TIP3   OH247597   1.007   0.065   2.978
+ 1376TIP3    H147598   0.956   0.105   2.906
+ 1376TIP3    H247599   1.012  -0.028   2.950
+ 1376TIP3   OH247600  -0.300   0.732   2.796
+ 1376TIP3    H147601  -0.269   0.682   2.874
+ 1376TIP3    H247602  -0.366   0.672   2.757
+ 1376TIP3   OH247603  -0.001  -0.424   2.358
+ 1376TIP3    H147604  -0.083  -0.430   2.306
+ 1376TIP3    H247605  -0.026  -0.357   2.424
+ 1376TIP3   OH247606   0.460  -0.460   2.739
+ 1376TIP3    H147607   0.514  -0.519   2.795
+ 1376TIP3    H247608   0.372  -0.502   2.742
+ 1376TIP3   OH247609   0.779  -0.085   2.786
+ 1376TIP3    H147610   0.715  -0.101   2.859
+ 1376TIP3    H247611   0.770   0.011   2.770
+ 1376TIP3   OH247612  -0.004   0.054   2.505
+ 1376TIP3    H147613  -0.046   0.068   2.591
+ 1376TIP3    H247614   0.016   0.145   2.475
+ 1376TIP3   OH247615   0.550   0.106   1.858
+ 1376TIP3    H147616   0.528   0.193   1.823
+ 1376TIP3    H247617   0.611   0.070   1.792
+ 1377TIP3   OH247618   0.482   0.142   3.013
+ 1377TIP3    H147619   0.433   0.064   3.046
+ 1377TIP3    H247620   0.571   0.127   3.050
+ 1377TIP3   OH247621   0.645   0.058   2.137
+ 1377TIP3    H147622   0.620   0.114   2.061
+ 1377TIP3    H247623   0.670  -0.023   2.088
+ 1377TIP3   OH247624  -0.269   0.072   2.695
+ 1377TIP3    H147625  -0.219   0.104   2.771
+ 1377TIP3    H247626  -0.288  -0.020   2.722
+ 1377TIP3   OH247627   0.559   0.227   2.597
+ 1377TIP3    H147628   0.603   0.157   2.543
+ 1377TIP3    H247629   0.529   0.176   2.674
+ 1377TIP3   OH247630   0.716  -0.264   2.397
+ 1377TIP3    H147631   0.653  -0.263   2.472
+ 1377TIP3    H247632   0.655  -0.298   2.328
+ 1377TIP3   OH247633   1.021   1.314   3.068
+ 1377TIP3    H147634   1.041   1.360   2.985
+ 1377TIP3    H247635   1.092   1.346   3.126
+ 1377TIP3   OH247636  -0.190   0.575   3.010
+ 1377TIP3    H147637  -0.120   0.584   3.078
+ 1377TIP3    H247638  -0.269   0.578   3.068
+ 1377TIP3   OH247639   0.374   0.076   2.271
+ 1377TIP3    H147640   0.448   0.036   2.224
+ 1377TIP3    H247641   0.363   0.015   2.346
+ 1377TIP3   OH247642   0.281  -0.075   2.507
+ 1377TIP3    H147643   0.202  -0.019   2.509
+ 1377TIP3    H247644   0.329  -0.049   2.589
+ 1377TIP3   OH247645   0.252   0.565   1.675
+ 1377TIP3    H147646   0.198   0.489   1.655
+ 1377TIP3    H247647   0.266   0.563   1.771
+ 1378TIP3   OH247648   1.015   0.478   2.571
+ 1378TIP3    H147649   1.065   0.532   2.506
+ 1378TIP3    H247650   0.931   0.463   2.523
+ 1378TIP3   OH247651   0.451   0.566   2.828
+ 1378TIP3    H147652   0.429   0.535   2.917
+ 1378TIP3    H247653   0.430   0.660   2.831
+ 1378TIP3   OH247654  -0.207   0.488   2.259
+ 1378TIP3    H147655  -0.146   0.483   2.184
+ 1378TIP3    H247656  -0.178   0.412   2.312
+ 1378TIP3   OH247657   0.532   0.681   1.630
+ 1378TIP3    H147658   0.513   0.775   1.614
+ 1378TIP3    H247659   0.477   0.640   1.562
+ 1378TIP3   OH247660  -0.477   0.327   2.805
+ 1378TIP3    H147661  -0.450   0.286   2.889
+ 1378TIP3    H247662  -0.522   0.254   2.760
+ 1378TIP3   OH247663   0.229   0.276   3.000
+ 1378TIP3    H147664   0.204   0.256   2.908
+ 1378TIP3    H247665   0.323   0.249   2.999
+ 1378TIP3   OH247666   0.683   0.817   2.778
+ 1378TIP3    H147667   0.587   0.835   2.772
+ 1378TIP3    H247668   0.701   0.847   2.869
+ 1378TIP3   OH247669   1.283   0.632   2.932
+ 1378TIP3    H147670   1.189   0.653   2.913
+ 1378TIP3    H247671   1.315   0.613   2.842
+ 1378TIP3   OH247672   0.784   0.415   2.401
+ 1378TIP3    H147673   0.692   0.403   2.372
+ 1378TIP3    H247674   0.828   0.346   2.346
+ 1378TIP3   OH247675   0.034   0.832   2.013
+ 1378TIP3    H147676   0.089   0.909   1.993
+ 1378TIP3    H247677  -0.047   0.854   1.967
+ 1379TIP3   OH247678   0.227   0.589   1.983
+ 1379TIP3    H147679   0.210   0.684   1.974
+ 1379TIP3    H247680   0.140   0.553   2.002
+ 1379TIP3   OH247681   0.245   1.019   2.601
+ 1379TIP3    H147682   0.295   1.099   2.577
+ 1379TIP3    H247683   0.306   0.978   2.664
+ 1379TIP3   OH247684   0.085   1.120   1.935
+ 1379TIP3    H147685  -0.011   1.132   1.929
+ 1379TIP3    H247686   0.116   1.211   1.952
+ 1379TIP3   OH247687   0.587   0.598   2.557
+ 1379TIP3    H147688   0.559   0.572   2.646
+ 1379TIP3    H247689   0.660   0.536   2.540
+ 1379TIP3   OH247690   0.882   1.055   2.796
+ 1379TIP3    H147691   0.804   1.012   2.756
+ 1379TIP3    H247692   0.888   1.137   2.745
+ 1379TIP3   OH247693  -0.333  -0.204   2.764
+ 1379TIP3    H147694  -0.425  -0.187   2.739
+ 1379TIP3    H247695  -0.340  -0.294   2.803
+ 1379TIP3   OH247696  -0.366   0.969   2.608
+ 1379TIP3    H147697  -0.328   0.880   2.621
+ 1379TIP3    H247698  -0.333   1.012   2.688
+ 1379TIP3   OH247699   0.559  -0.218   2.625
+ 1379TIP3    H147700   0.626  -0.199   2.693
+ 1379TIP3    H247701   0.512  -0.295   2.662
+ 1379TIP3   OH247702   0.420   0.956   1.647
+ 1379TIP3    H147703   0.324   0.975   1.654
+ 1379TIP3    H247704   0.444   1.003   1.567
+ 1379TIP3   OH247705   0.398   0.013   2.760
+ 1379TIP3    H147706   0.413   0.062   2.842
+ 1379TIP3    H247707   0.454  -0.065   2.773
+ 1380TIP3   OH247708   0.142   1.051   1.650
+ 1380TIP3    H147709   0.130   1.130   1.594
+ 1380TIP3    H247710   0.125   1.085   1.739
+ 1380TIP3   OH247711   1.031  -0.187   2.846
+ 1380TIP3    H147712   0.935  -0.174   2.832
+ 1380TIP3    H247713   1.055  -0.211   2.755
+ 1380TIP3   OH247714   0.883   0.198   2.241
+ 1380TIP3    H147715   0.805   0.155   2.202
+ 1380TIP3    H247716   0.931   0.123   2.282
+ 1380TIP3   OH247717   0.984   1.082   2.387
+ 1380TIP3    H147718   0.966   1.164   2.337
+ 1380TIP3    H247719   1.077   1.097   2.412
+ 1380TIP3   OH247720  -0.271  -0.442   2.267
+ 1380TIP3    H147721  -0.287  -0.462   2.174
+ 1380TIP3    H247722  -0.302  -0.523   2.310
+ 1380TIP3   OH247723  -0.433   1.179   3.037
+ 1380TIP3    H147724  -0.372   1.151   3.108
+ 1380TIP3    H247725  -0.468   1.093   3.007
+ 1380TIP3   OH247726   0.030   1.073   3.210
+ 1380TIP3    H147727   0.111   1.022   3.228
+ 1380TIP3    H247728   0.019   1.054   3.115
+ 1380TIP3   OH247729   0.697   0.904   3.062
+ 1380TIP3    H147730   0.653   0.826   3.100
+ 1380TIP3    H247731   0.761   0.927   3.131
+ 1380TIP3   OH247732  -0.433   0.536   3.142
+ 1380TIP3    H147733  -0.420   0.446   3.107
+ 1380TIP3    H247734  -0.507   0.567   3.086
+ 1380TIP3   OH247735   0.228   0.553   3.077
+ 1380TIP3    H147736   0.205   0.590   2.990
+ 1380TIP3    H247737   0.239   0.458   3.058
+ 1381TIP3   OH247738   0.768   0.518   2.815
+ 1381TIP3    H147739   0.848   0.569   2.793
+ 1381TIP3    H247740   0.701   0.588   2.811
+ 1381TIP3   OH247741  -0.346   0.249   3.054
+ 1381TIP3    H147742  -0.271   0.187   3.053
+ 1381TIP3    H247743  -0.348   0.272   3.149
+ 1381TIP3   OH247744   0.014   0.161   2.787
+ 1381TIP3    H147745  -0.027   0.242   2.821
+ 1381TIP3    H247746   0.090   0.197   2.738
+ 1381TIP3   OH247747   0.552   0.434   3.158
+ 1381TIP3    H147748   0.642   0.416   3.125
+ 1381TIP3    H247749   0.528   0.347   3.195
+ 1381TIP3   OH247750   0.078  -0.109   2.915
+ 1381TIP3    H147751   0.089  -0.176   2.844
+ 1381TIP3    H247752   0.063  -0.029   2.862
+ 1381TIP3   OH247753   0.110  -0.255   2.660
+ 1381TIP3    H147754   0.170  -0.214   2.594
+ 1381TIP3    H247755   0.024  -0.257   2.613
+ 1381TIP3   OH247756   0.265   0.283   2.701
+ 1381TIP3    H147757   0.350   0.272   2.656
+ 1381TIP3    H247758   0.239   0.372   2.669
+ 1381TIP3   OH247759   0.727   0.077   3.181
+ 1381TIP3    H147760   0.750  -0.017   3.189
+ 1381TIP3    H247761   0.815   0.117   3.173
+ 1381TIP3   OH247762   0.823   0.356   3.028
+ 1381TIP3    H147763   0.790   0.417   2.959
+ 1381TIP3    H247764   0.913   0.339   2.991
+ 1381TIP3   OH247765  -0.101   0.079   3.091
+ 1381TIP3    H147766  -0.152  -0.005   3.093
+ 1381TIP3    H247767  -0.018   0.049   3.051
+ 1382TIP3   OH247768   0.183  -0.527   2.703
+ 1382TIP3    H147769   0.169  -0.433   2.679
+ 1382TIP3    H247770   0.121  -0.572   2.642
+ 1382TIP3   OH247771   0.312  -0.069   3.076
+ 1382TIP3    H147772   0.277  -0.093   3.163
+ 1382TIP3    H247773   0.233  -0.091   3.020
+ 1382TIP3   OH247774   0.569  -0.163   2.963
+ 1382TIP3    H147775   0.479  -0.163   3.001
+ 1382TIP3    H247776   0.614  -0.230   3.018
+ 1382TIP3   OH247777   0.751  -0.317   3.134
+ 1382TIP3    H147778   0.737  -0.413   3.148
+ 1382TIP3    H247779   0.733  -0.278   3.221
+ 1382TIP3   OH247780  -0.235  -0.177   3.079
+ 1382TIP3    H147781  -0.239  -0.249   3.013
+ 1382TIP3    H247782  -0.254  -0.225   3.161
+ 1382TIP3   OH247783   0.170  -0.579   2.978
+ 1382TIP3    H147784   0.231  -0.655   2.981
+ 1382TIP3    H247785   0.166  -0.564   2.881
+ 1382TIP3   OH247786   0.263  -0.394   3.165
+ 1382TIP3    H147787   0.240  -0.453   3.090
+ 1382TIP3    H247788   0.194  -0.326   3.161
+ 1382TIP3   OH247789   0.173   1.299   1.500
+ 1382TIP3    H147790   0.267   1.296   1.519
+ 1382TIP3    H247791   0.170   1.370   1.434
+ 1382TIP3   OH247792  -0.563   1.267   1.940
+ 1382TIP3    H147793  -0.614   1.217   1.873
+ 1382TIP3    H247794  -0.530   1.194   1.996
+ 1382TIP3   OH247795  -0.495   1.066   2.129
+ 1382TIP3    H147796  -0.524   0.979   2.161
+ 1382TIP3    H247797  -0.456   1.103   2.209
+ 1383TIP3   OH247798   1.256   1.200   2.437
+ 1383TIP3    H147799   1.272   1.196   2.532
+ 1383TIP3    H247800   1.343   1.228   2.404
+ 1383TIP3   OH247801   1.247   1.144   2.725
+ 1383TIP3    H147802   1.193   1.070   2.690
+ 1383TIP3    H247803   1.300   1.096   2.790
+ 1383TIP3   OH247804   1.046   0.686   3.155
+ 1383TIP3    H147805   0.957   0.694   3.193
+ 1383TIP3    H247806   1.090   0.767   3.185
+ 1383TIP3   OH247807   1.207   0.621   2.426
+ 1383TIP3    H147808   1.264   0.572   2.364
+ 1383TIP3    H247809   1.216   0.712   2.393
+ 1383TIP3   OH247810   1.076   0.914   2.648
+ 1383TIP3    H147811   1.002   0.956   2.697
+ 1383TIP3    H247812   1.030   0.878   2.569
+ 1383TIP3   OH247813   1.033   0.214   1.965
+ 1383TIP3    H147814   1.020   0.119   1.952
+ 1383TIP3    H247815   0.996   0.229   2.054
+ 1383TIP3   OH247816  -0.488   0.395   2.351
+ 1383TIP3    H147817  -0.451   0.407   2.262
+ 1383TIP3    H247818  -0.405   0.382   2.401
+ 1383TIP3   OH247819   1.085   0.378   2.920
+ 1383TIP3    H147820   1.158   0.317   2.939
+ 1383TIP3    H247821   1.130   0.461   2.902
+ 1383TIP3   OH247822   1.240   0.189   3.042
+ 1383TIP3    H147823   1.161   0.135   3.020
+ 1383TIP3    H247824   1.311   0.121   3.040
+ 1383TIP3   OH247825   1.018  -0.039   1.835
+ 1383TIP3    H147826   1.017  -0.134   1.819
+ 1383TIP3    H247827   1.069  -0.007   1.760
+ 1384TIP3   OH247828   1.033  -0.007   2.367
+ 1384TIP3    H147829   1.130   0.007   2.365
+ 1384TIP3    H247830   1.017  -0.002   2.462
+ 1384TIP3   OH247831   1.053   0.067   2.651
+ 1384TIP3    H147832   0.966   0.103   2.676
+ 1384TIP3    H247833   1.103   0.147   2.628
+ 1384TIP3   OH247834  -0.501  -0.061   3.012
+ 1384TIP3    H147835  -0.407  -0.085   3.021
+ 1384TIP3    H247836  -0.543  -0.148   3.025
+ 1384TIP3   OH247837   1.308  -0.519   3.179
+ 1384TIP3    H147838   1.348  -0.588   3.124
+ 1384TIP3    H247839   1.310  -0.441   3.120
+ 1384TIP3   OH247840   1.084  -0.340   1.817
+ 1384TIP3    H147841   1.062  -0.369   1.907
+ 1384TIP3    H247842   1.009  -0.378   1.770
+ 1384TIP3   OH247843   1.245  -0.314   3.003
+ 1384TIP3    H147844   1.157  -0.272   3.009
+ 1384TIP3    H247845   1.232  -0.369   2.924
+ 1384TIP3   OH247846   0.947   1.208   2.004
+ 1384TIP3    H147847   0.997   1.172   1.928
+ 1384TIP3    H247848   1.018   1.236   2.063
+ 1384TIP3   OH247849  -0.511  -0.427   2.636
+ 1384TIP3    H147850  -0.578  -0.475   2.685
+ 1384TIP3    H247851  -0.565  -0.393   2.561
+ 1384TIP3   OH247852  -0.316   0.870   3.090
+ 1384TIP3    H147853  -0.389   0.875   3.027
+ 1384TIP3    H247854  -0.361   0.876   3.175
+ 1384TIP3   OH247855  -0.033   0.974   2.656
+ 1384TIP3    H147856  -0.059   1.061   2.621
+ 1384TIP3    H247857   0.064   0.979   2.641
+ 1385TIP3   OH247858   0.405   1.095   2.952
+ 1385TIP3    H147859   0.385   1.118   3.044
+ 1385TIP3    H247860   0.458   1.172   2.925
+ 1385TIP3   OH247861   0.648   1.254   2.880
+ 1385TIP3    H147862   0.706   1.178   2.865
+ 1385TIP3    H247863   0.669   1.276   2.973
+ 1385TIP3   OH247864   1.132  -0.491   2.802
+ 1385TIP3    H147865   1.051  -0.472   2.750
+ 1385TIP3    H247866   1.153  -0.581   2.769
+ 1385TIP3   OH247867  -0.298   1.260   2.692
+ 1385TIP3    H147868  -0.344   1.331   2.646
+ 1385TIP3    H247869  -0.322   1.277   2.784
+ 1385TIP3   OH247870  -0.044   1.244   2.543
+ 1385TIP3    H147871  -0.125   1.269   2.591
+ 1385TIP3    H247872  -0.034   1.315   2.477
+ 1385TIP3   OH247873   0.428   1.243   2.500
+ 1385TIP3    H147874   0.391   1.294   2.426
+ 1385TIP3    H247875   0.431   1.312   2.570
+ 1385TIP3   OH247876   0.663   1.117   2.592
+ 1385TIP3    H147877   0.577   1.152   2.562
+ 1385TIP3    H247878   0.716   1.198   2.594
+ 1385TIP3   OH247879   0.920   1.291   2.614
+ 1385TIP3    H147880   0.912   1.385   2.590
+ 1385TIP3    H247881   0.943   1.253   2.528
+ 1385TIP3   OH247882  -0.339   1.146   2.385
+ 1385TIP3    H147883  -0.334   1.100   2.471
+ 1385TIP3    H247884  -0.261   1.107   2.340
+ 1385TIP3   OH247885  -0.139   1.025   2.235
+ 1385TIP3    H147886  -0.143   0.929   2.253
+ 1385TIP3    H247887  -0.045   1.044   2.256
+ 1386TIP3   OH247888   0.138   1.070   2.318
+ 1386TIP3    H147889   0.163   0.980   2.292
+ 1386TIP3    H247890   0.151   1.066   2.414
+ 1386TIP3   OH247891   0.501  -0.352   2.236
+ 1386TIP3    H147892   0.416  -0.398   2.249
+ 1386TIP3    H247893   0.525  -0.389   2.150
+ 1386TIP3   OH247894   0.945  -0.542   2.276
+ 1386TIP3    H147895   1.020  -0.499   2.233
+ 1386TIP3    H247896   0.869  -0.517   2.220
+ 1386TIP3   OH247897   1.235  -0.421   2.102
+ 1386TIP3    H147898   1.214  -0.482   2.030
+ 1386TIP3    H247899   1.183  -0.342   2.086
+ 1386TIP3   OH247900   0.481   1.222   1.489
+ 1386TIP3    H147901   0.579   1.226   1.484
+ 1386TIP3    H247902   0.461   1.168   1.411
+ 1386TIP3   OH247903   1.121   1.125   1.762
+ 1386TIP3    H147904   1.120   1.042   1.712
+ 1386TIP3    H247905   1.135   1.190   1.691
+ 1386TIP3   OH247906  -0.312  -0.443   2.962
+ 1386TIP3    H147907  -0.351  -0.528   2.991
+ 1386TIP3    H247908  -0.218  -0.460   2.978
+ 1386TIP3   OH247909  -0.070  -0.506   3.132
+ 1386TIP3    H147910   0.012  -0.537   3.088
+ 1386TIP3    H247911  -0.103  -0.590   3.169
+ 1386TIP3   OH247912   0.740  -0.596   3.148
+ 1386TIP3    H147913   0.745  -0.639   3.236
+ 1386TIP3    H247914   0.833  -0.601   3.120
+ 1386TIP3   OH247915   1.077   1.037   3.016
+ 1386TIP3    H147916   1.003   1.017   2.955
+ 1386TIP3    H247917   1.058   1.131   3.036
+ 1387TIP3   OH247918   2.502   0.406   2.028
+ 1387TIP3    H147919   2.496   0.502   2.036
+ 1387TIP3    H247920   2.426   0.386   1.970
+ 1387TIP3   OH247921   2.388   0.349   2.339
+ 1387TIP3    H147922   2.380   0.292   2.418
+ 1387TIP3    H247923   2.352   0.289   2.271
+ 1387TIP3   OH247924   1.632   0.309   2.501
+ 1387TIP3    H147925   1.627   0.235   2.564
+ 1387TIP3    H247926   1.699   0.365   2.542
+ 1387TIP3   OH247927   2.750   0.620   2.169
+ 1387TIP3    H147928   2.711   0.548   2.221
+ 1387TIP3    H247929   2.782   0.679   2.237
+ 1387TIP3   OH247930   1.694   0.766   2.351
+ 1387TIP3    H147931   1.670   0.676   2.319
+ 1387TIP3    H247932   1.788   0.752   2.371
+ 1387TIP3   OH247933   1.374   0.116   1.885
+ 1387TIP3    H147934   1.333   0.201   1.908
+ 1387TIP3    H247935   1.305   0.075   1.832
+ 1387TIP3   OH247936   1.453   0.371   2.067
+ 1387TIP3    H147937   1.458   0.284   2.109
+ 1387TIP3    H247938   1.539   0.379   2.024
+ 1387TIP3   OH247939   2.457   1.163   2.213
+ 1387TIP3    H147940   2.513   1.087   2.190
+ 1387TIP3    H247941   2.413   1.139   2.296
+ 1387TIP3   OH247942   2.236   0.604   2.393
+ 1387TIP3    H147943   2.264   0.527   2.341
+ 1387TIP3    H247944   2.318   0.620   2.444
+ 1387TIP3   OH247945   3.092  -0.232   2.449
+ 1387TIP3    H147946   3.125  -0.198   2.533
+ 1387TIP3    H247947   3.171  -0.232   2.392
+ 1388TIP3   OH247948   2.570   0.034   2.442
+ 1388TIP3    H147949   2.569  -0.063   2.453
+ 1388TIP3    H247950   2.546   0.042   2.348
+ 1388TIP3   OH247951   1.853  -0.171   2.136
+ 1388TIP3    H147952   1.866  -0.084   2.094
+ 1388TIP3    H247953   1.806  -0.218   2.066
+ 1388TIP3   OH247954   2.621  -0.156   1.982
+ 1388TIP3    H147955   2.684  -0.206   2.036
+ 1388TIP3    H247956   2.677  -0.126   1.910
+ 1388TIP3   OH247957   1.531   0.117   2.199
+ 1388TIP3    H147958   1.586   0.063   2.258
+ 1388TIP3    H247959   1.521   0.061   2.121
+ 1388TIP3   OH247960   2.070   0.247   2.146
+ 1388TIP3    H147961   2.132   0.185   2.189
+ 1388TIP3    H247962   2.012   0.186   2.098
+ 1388TIP3   OH247963   3.166  -0.104   2.696
+ 1388TIP3    H147964   3.093  -0.040   2.684
+ 1388TIP3    H247965   3.160  -0.117   2.792
+ 1388TIP3   OH247966   1.736  -0.288   2.561
+ 1388TIP3    H147967   1.699  -0.226   2.496
+ 1388TIP3    H247968   1.671  -0.277   2.634
+ 1388TIP3   OH247969   2.483   0.694   1.890
+ 1388TIP3    H147970   2.436   0.669   1.811
+ 1388TIP3    H247971   2.442   0.780   1.911
+ 1388TIP3   OH247972   2.033   0.503   2.581
+ 1388TIP3    H147973   1.956   0.558   2.608
+ 1388TIP3    H247974   2.090   0.568   2.537
+ 1388TIP3   OH247975   2.826  -0.218   2.186
+ 1388TIP3    H147976   2.781  -0.281   2.244
+ 1388TIP3    H247977   2.885  -0.172   2.247
+ 1389TIP3   OH247978   1.704  -0.089   2.359
+ 1389TIP3    H147979   1.766  -0.027   2.403
+ 1389TIP3    H247980   1.760  -0.122   2.286
+ 1389TIP3   OH247981   1.830   0.687   2.653
+ 1389TIP3    H147982   1.825   0.780   2.622
+ 1389TIP3    H247983   1.743   0.680   2.696
+ 1389TIP3   OH247984   2.795   0.807   2.440
+ 1389TIP3    H147985   2.703   0.787   2.420
+ 1389TIP3    H247986   2.818   0.881   2.380
+ 1389TIP3   OH247987   2.838  -0.303   2.572
+ 1389TIP3    H147988   2.758  -0.272   2.527
+ 1389TIP3    H247989   2.907  -0.292   2.504
+ 1389TIP3   OH247990   2.152  -0.537   2.279
+ 1389TIP3    H147991   2.128  -0.632   2.273
+ 1389TIP3    H247992   2.069  -0.499   2.315
+ 1389TIP3   OH247993   2.650   0.991   2.100
+ 1389TIP3    H147994   2.687   0.919   2.047
+ 1389TIP3    H247995   2.700   1.067   2.064
+ 1389TIP3   OH247996   2.782   0.781   1.938
+ 1389TIP3    H147997   2.727   0.741   1.869
+ 1389TIP3    H247998   2.773   0.715   2.010
+ 1389TIP3   OH247999   2.932   0.668   2.786
+ 1389TIP3    H148000   2.924   0.599   2.717
+ 1389TIP3    H248001   2.951   0.748   2.734
+ 1389TIP3   OH248002   2.373   0.343   1.774
+ 1389TIP3    H148003   2.299   0.391   1.735
+ 1389TIP3    H248004   2.437   0.338   1.700
+ 1389TIP3   OH248005   3.116   0.265   2.546
+ 1389TIP3    H148006   3.053   0.333   2.578
+ 1389TIP3    H248007   3.172   0.315   2.486
+ 1390TIP3   OH248008   2.714   0.359   1.859
+ 1390TIP3    H148009   2.641   0.380   1.922
+ 1390TIP3    H248010   2.760   0.290   1.909
+ 1390TIP3   OH248011   2.698   0.211   2.746
+ 1390TIP3    H148012   2.699   0.291   2.801
+ 1390TIP3    H248013   2.629   0.238   2.683
+ 1390TIP3   OH248014   1.868   0.440   2.019
+ 1390TIP3    H148015   1.835   0.406   1.934
+ 1390TIP3    H248016   1.939   0.379   2.043
+ 1390TIP3   OH248017   2.007   0.774   2.313
+ 1390TIP3    H148018   1.993   0.746   2.221
+ 1390TIP3    H248019   2.086   0.723   2.339
+ 1390TIP3   OH248020   1.934   0.313   2.390
+ 1390TIP3    H148021   1.987   0.322   2.309
+ 1390TIP3    H248022   1.969   0.383   2.448
+ 1390TIP3   OH248023   2.017   0.749   2.869
+ 1390TIP3    H148024   1.966   0.811   2.924
+ 1390TIP3    H248025   1.949   0.721   2.804
+ 1390TIP3   OH248026   2.601   0.288   1.608
+ 1390TIP3    H148027   2.656   0.318   1.683
+ 1390TIP3    H248028   2.645   0.332   1.532
+ 1390TIP3   OH248029   1.709   0.388   2.784
+ 1390TIP3    H148030   1.713   0.444   2.864
+ 1390TIP3    H248031   1.613   0.373   2.777
+ 1390TIP3   OH248032   2.366   0.962   1.967
+ 1390TIP3    H148033   2.389   1.007   2.048
+ 1390TIP3    H248034   2.306   1.026   1.925
+ 1390TIP3   OH248035   1.825   0.965   2.955
+ 1390TIP3    H148036   1.812   0.966   2.859
+ 1390TIP3    H248037   1.737   0.938   2.989
+ 1391TIP3   OH248038   2.937  -0.534   1.591
+ 1391TIP3    H148039   2.839  -0.534   1.579
+ 1391TIP3    H248040   2.957  -0.444   1.563
+ 1391TIP3   OH248041   3.093   0.886   1.415
+ 1391TIP3    H148042   3.106   0.980   1.434
+ 1391TIP3    H248043   3.181   0.849   1.435
+ 1391TIP3   OH248044   1.372   0.576   2.667
+ 1391TIP3    H148045   1.326   0.577   2.580
+ 1391TIP3    H248046   1.383   0.480   2.681
+ 1391TIP3   OH248047   1.376   0.870   2.359
+ 1391TIP3    H148048   1.467   0.839   2.366
+ 1391TIP3    H248049   1.370   0.929   2.436
+ 1391TIP3   OH248050   3.213   0.928   2.936
+ 1391TIP3    H148051   3.202   0.832   2.924
+ 1391TIP3    H248052   3.123   0.954   2.966
+ 1391TIP3   OH248053   2.277   0.854   2.815
+ 1391TIP3    H148054   2.285   0.932   2.874
+ 1391TIP3    H248055   2.188   0.821   2.839
+ 1391TIP3   OH248056   2.320   1.231   1.814
+ 1391TIP3    H148057   2.302   1.232   1.718
+ 1391TIP3    H248058   2.313   1.324   1.838
+ 1391TIP3   OH248059   1.661   1.120   1.962
+ 1391TIP3    H148060   1.688   1.079   2.046
+ 1391TIP3    H248061   1.574   1.079   1.950
+ 1391TIP3   OH248062   2.640   1.179   1.532
+ 1391TIP3    H148063   2.697   1.113   1.488
+ 1391TIP3    H248064   2.631   1.139   1.621
+ 1391TIP3   OH248065   2.580   1.119   1.818
+ 1391TIP3    H148066   2.484   1.138   1.820
+ 1391TIP3    H248067   2.581   1.037   1.870
+ 1392TIP3   OH248068   2.897   0.068   2.975
+ 1392TIP3    H148069   2.836   0.102   2.909
+ 1392TIP3    H248070   2.898  -0.027   2.953
+ 1392TIP3   OH248071   1.590   0.730   2.790
+ 1392TIP3    H148072   1.616   0.684   2.873
+ 1392TIP3    H248073   1.516   0.676   2.758
+ 1392TIP3   OH248074   1.906  -0.422   2.368
+ 1392TIP3    H148075   1.831  -0.426   2.306
+ 1392TIP3    H248076   1.874  -0.354   2.431
+ 1392TIP3   OH248077   2.347  -0.465   2.730
+ 1392TIP3    H148078   2.398  -0.516   2.796
+ 1392TIP3    H248079   2.256  -0.498   2.745
+ 1392TIP3   OH248080   2.664  -0.082   2.787
+ 1392TIP3    H148081   2.601  -0.104   2.859
+ 1392TIP3    H248082   2.650   0.013   2.773
+ 1392TIP3   OH248083   2.751   0.398   1.391
+ 1392TIP3    H148084   2.730   0.392   1.296
+ 1392TIP3    H248085   2.843   0.431   1.388
+ 1392TIP3   OH248086   1.895   0.056   2.508
+ 1392TIP3    H148087   1.837   0.066   2.585
+ 1392TIP3    H248088   1.899   0.148   2.473
+ 1392TIP3   OH248089   1.887   0.073   1.986
+ 1392TIP3    H148090   1.791   0.070   1.970
+ 1392TIP3    H248091   1.920   0.053   1.896
+ 1392TIP3   OH248092   2.486   0.105   1.867
+ 1392TIP3    H148093   2.433   0.185   1.847
+ 1392TIP3    H248094   2.518   0.082   1.779
+ 1392TIP3   OH248095   2.371   0.139   3.006
+ 1392TIP3    H148096   2.318   0.066   3.046
+ 1392TIP3    H248097   2.456   0.127   3.052
+ 1393TIP3   OH248098   2.544   0.052   2.149
+ 1393TIP3    H148099   2.515   0.107   2.075
+ 1393TIP3    H248100   2.560  -0.031   2.099
+ 1393TIP3   OH248101   1.631   0.072   2.691
+ 1393TIP3    H148102   1.657   0.103   2.779
+ 1393TIP3    H248103   1.594  -0.015   2.712
+ 1393TIP3   OH248104   1.338  -0.151   2.053
+ 1393TIP3    H148105   1.368  -0.191   2.137
+ 1393TIP3    H248106   1.350  -0.222   1.989
+ 1393TIP3   OH248107   2.449   0.227   2.599
+ 1393TIP3    H148108   2.490   0.153   2.550
+ 1393TIP3    H248109   2.409   0.180   2.675
+ 1393TIP3   OH248110   2.167  -0.171   2.101
+ 1393TIP3    H148111   2.072  -0.188   2.117
+ 1393TIP3    H248112   2.206  -0.202   2.184
+ 1393TIP3   OH248113   1.623  -0.075   1.945
+ 1393TIP3    H148114   1.536  -0.033   1.935
+ 1393TIP3    H248115   1.629  -0.129   1.866
+ 1393TIP3   OH248116   1.972   0.008   1.719
+ 1393TIP3    H148117   2.064  -0.021   1.733
+ 1393TIP3    H248118   1.977   0.064   1.641
+ 1393TIP3   OH248119   2.605  -0.265   2.401
+ 1393TIP3    H148120   2.542  -0.264   2.476
+ 1393TIP3    H248121   2.546  -0.299   2.331
+ 1393TIP3   OH248122   2.907   1.312   3.065
+ 1393TIP3    H148123   2.929   1.361   2.984
+ 1393TIP3    H248124   2.971   1.347   3.129
+ 1393TIP3   OH248125   1.697   0.578   3.011
+ 1393TIP3    H148126   1.764   0.583   3.083
+ 1393TIP3    H248127   1.616   0.574   3.065
+ 1394TIP3   OH248128   2.276   0.080   2.285
+ 1394TIP3    H148129   2.336   0.025   2.232
+ 1394TIP3    H248130   2.250   0.019   2.357
+ 1394TIP3   OH248131   2.169  -0.071   2.502
+ 1394TIP3    H148132   2.087  -0.019   2.508
+ 1394TIP3    H248133   2.215  -0.050   2.586
+ 1394TIP3   OH248134   2.909   0.473   2.569
+ 1394TIP3    H148135   2.951   0.529   2.502
+ 1394TIP3    H248136   2.819   0.461   2.533
+ 1394TIP3   OH248137   2.355   0.571   2.822
+ 1394TIP3    H148138   2.319   0.524   2.899
+ 1394TIP3    H248139   2.307   0.655   2.827
+ 1394TIP3   OH248140   2.708   0.022   1.603
+ 1394TIP3    H148141   2.719  -0.013   1.693
+ 1394TIP3    H248142   2.646   0.097   1.614
+ 1394TIP3   OH248143   1.698   0.495   2.261
+ 1394TIP3    H148144   1.756   0.486   2.184
+ 1394TIP3    H248145   1.706   0.409   2.304
+ 1394TIP3   OH248146   1.419   0.327   2.805
+ 1394TIP3    H148147   1.434   0.284   2.891
+ 1394TIP3    H248148   1.357   0.267   2.760
+ 1394TIP3   OH248149   2.116   0.280   3.003
+ 1394TIP3    H148150   2.081   0.252   2.916
+ 1394TIP3    H248151   2.209   0.251   2.996
+ 1394TIP3   OH248152   2.565   0.870   2.768
+ 1394TIP3    H148153   2.473   0.836   2.765
+ 1394TIP3    H248154   2.586   0.851   2.861
+ 1394TIP3   OH248155   3.120   0.025   1.645
+ 1394TIP3    H148156   3.074  -0.013   1.569
+ 1394TIP3    H248157   3.123   0.120   1.622
+ 1395TIP3   OH248158   3.167   0.632   2.933
+ 1395TIP3    H148159   3.073   0.653   2.916
+ 1395TIP3    H248160   3.201   0.615   2.843
+ 1395TIP3   OH248161   2.943   0.885   1.664
+ 1395TIP3    H148162   2.927   0.806   1.717
+ 1395TIP3    H248163   2.998   0.853   1.591
+ 1395TIP3   OH248164   2.663   0.426   2.397
+ 1395TIP3    H148165   2.570   0.403   2.379
+ 1395TIP3    H248166   2.707   0.350   2.355
+ 1395TIP3   OH248167   1.938   0.823   2.024
+ 1395TIP3    H148168   1.983   0.897   1.982
+ 1395TIP3    H248169   1.861   0.810   1.966
+ 1395TIP3   OH248170   2.135   1.023   2.600
+ 1395TIP3    H148171   2.181   1.107   2.587
+ 1395TIP3    H248172   2.189   0.979   2.667
+ 1395TIP3   OH248173   1.976   1.114   1.931
+ 1395TIP3    H148174   1.880   1.118   1.928
+ 1395TIP3    H248175   2.001   1.207   1.947
+ 1395TIP3   OH248176   2.485   0.629   2.544
+ 1395TIP3    H148177   2.448   0.601   2.629
+ 1395TIP3    H248178   2.548   0.559   2.524
+ 1395TIP3   OH248179   2.678   0.729   1.451
+ 1395TIP3    H148180   2.719   0.688   1.529
+ 1395TIP3    H248181   2.585   0.714   1.471
+ 1395TIP3   OH248182   2.776   1.048   2.784
+ 1395TIP3    H148183   2.690   1.002   2.784
+ 1395TIP3    H248184   2.759   1.137   2.747
+ 1395TIP3   OH248185   3.163   1.155   1.504
+ 1395TIP3    H148186   3.231   1.220   1.480
+ 1395TIP3    H248187   3.085   1.213   1.506
+ 1396TIP3   OH248188   1.551  -0.208   2.764
+ 1396TIP3    H148189   1.460  -0.181   2.741
+ 1396TIP3    H248190   1.536  -0.293   2.808
+ 1396TIP3   OH248191   2.782   0.588   1.684
+ 1396TIP3    H148192   2.755   0.516   1.744
+ 1396TIP3    H248193   2.878   0.588   1.696
+ 1396TIP3   OH248194   1.529   0.969   2.606
+ 1396TIP3    H148195   1.554   0.877   2.624
+ 1396TIP3    H248196   1.547   1.008   2.692
+ 1396TIP3   OH248197   2.450  -0.224   2.620
+ 1396TIP3    H148198   2.506  -0.197   2.694
+ 1396TIP3    H248199   2.397  -0.296   2.659
+ 1396TIP3   OH248200   2.310   0.959   1.646
+ 1396TIP3    H148201   2.214   0.977   1.653
+ 1396TIP3    H248202   2.331   1.002   1.562
+ 1396TIP3   OH248203   2.241  -0.064   1.841
+ 1396TIP3    H148204   2.331  -0.033   1.857
+ 1396TIP3    H248205   2.213  -0.091   1.931
+ 1396TIP3   OH248206   2.296   0.014   2.755
+ 1396TIP3    H148207   2.292   0.063   2.838
+ 1396TIP3    H248208   2.340  -0.067   2.784
+ 1396TIP3   OH248209   2.341  -0.365   1.927
+ 1396TIP3    H148210   2.305  -0.297   1.985
+ 1396TIP3    H248211   2.413  -0.318   1.883
+ 1396TIP3   OH248212   2.027   1.038   1.630
+ 1396TIP3    H148213   2.008   1.119   1.580
+ 1396TIP3    H248214   1.988   1.057   1.717
+ 1396TIP3   OH248215   1.854  -0.278   1.603
+ 1396TIP3    H148216   1.879  -0.185   1.612
+ 1396TIP3    H248217   1.942  -0.320   1.603
+ 1397TIP3   OH248218   2.917  -0.186   2.843
+ 1397TIP3    H148219   2.820  -0.173   2.834
+ 1397TIP3    H248220   2.935  -0.215   2.753
+ 1397TIP3   OH248221   2.770   0.196   2.244
+ 1397TIP3    H148222   2.686   0.149   2.222
+ 1397TIP3    H248223   2.819   0.128   2.293
+ 1397TIP3   OH248224   2.848   1.085   2.394
+ 1397TIP3    H148225   2.848   1.164   2.335
+ 1397TIP3    H248226   2.944   1.084   2.415
+ 1397TIP3   OH248227   1.620  -0.482   2.236
+ 1397TIP3    H148228   1.580  -0.528   2.162
+ 1397TIP3    H248229   1.604  -0.549   2.306
+ 1397TIP3   OH248230   1.461   1.173   3.028
+ 1397TIP3    H148231   1.518   1.145   3.101
+ 1397TIP3    H248232   1.421   1.088   3.000
+ 1397TIP3   OH248233   1.931   1.083   3.203
+ 1397TIP3    H148234   1.996   1.017   3.231
+ 1397TIP3    H248235   1.906   1.050   3.115
+ 1397TIP3   OH248236   2.322   1.004   1.360
+ 1397TIP3    H148237   2.249   0.941   1.354
+ 1397TIP3    H248238   2.385   0.969   1.295
+ 1397TIP3   OH248239   2.588   0.899   3.058
+ 1397TIP3    H148240   2.538   0.827   3.102
+ 1397TIP3    H248241   2.647   0.928   3.130
+ 1397TIP3   OH248242   2.805   0.998   1.383
+ 1397TIP3    H148243   2.829   0.916   1.428
+ 1397TIP3    H248244   2.873   1.004   1.313
+ 1397TIP3   OH248245   1.455   0.537   3.139
+ 1397TIP3    H148246   1.464   0.445   3.108
+ 1397TIP3    H248247   1.378   0.567   3.087
+ 1398TIP3   OH248248   2.131   0.558   3.066
+ 1398TIP3    H148249   2.084   0.585   2.986
+ 1398TIP3    H248250   2.129   0.460   3.060
+ 1398TIP3   OH248251   2.656   0.512   2.807
+ 1398TIP3    H148252   2.728   0.576   2.799
+ 1398TIP3    H248253   2.577   0.567   2.814
+ 1398TIP3   OH248254   1.541   0.250   3.057
+ 1398TIP3    H148255   1.615   0.186   3.058
+ 1398TIP3    H248256   1.538   0.272   3.152
+ 1398TIP3   OH248257   1.908   0.161   2.799
+ 1398TIP3    H148258   1.854   0.238   2.824
+ 1398TIP3    H248259   1.971   0.201   2.737
+ 1398TIP3   OH248260   2.438   0.433   3.150
+ 1398TIP3    H148261   2.531   0.412   3.133
+ 1398TIP3    H248262   2.409   0.355   3.200
+ 1398TIP3   OH248263   3.028   0.433   1.330
+ 1398TIP3    H148264   3.013   0.405   1.238
+ 1398TIP3    H248265   3.025   0.530   1.317
+ 1398TIP3   OH248266   1.969  -0.106   2.914
+ 1398TIP3    H148267   1.972  -0.174   2.843
+ 1398TIP3    H248268   1.943  -0.027   2.865
+ 1398TIP3   OH248269   1.999  -0.261   2.658
+ 1398TIP3    H148270   2.050  -0.209   2.593
+ 1398TIP3    H248271   1.908  -0.257   2.623
+ 1398TIP3   OH248272   2.155   0.285   2.701
+ 1398TIP3    H148273   2.237   0.275   2.651
+ 1398TIP3    H248274   2.122   0.371   2.669
+ 1398TIP3   OH248275   2.614   0.075   3.172
+ 1398TIP3    H148276   2.630  -0.016   3.199
+ 1398TIP3    H248277   2.703   0.113   3.179
+ 1399TIP3   OH248278   2.714   0.356   3.027
+ 1399TIP3    H148279   2.675   0.415   2.959
+ 1399TIP3    H248280   2.800   0.338   2.986
+ 1399TIP3   OH248281   1.786   0.078   3.090
+ 1399TIP3    H148282   1.733  -0.003   3.096
+ 1399TIP3    H248283   1.869   0.045   3.053
+ 1399TIP3   OH248284   2.074  -0.528   2.694
+ 1399TIP3    H148285   2.053  -0.433   2.679
+ 1399TIP3    H248286   2.003  -0.571   2.643
+ 1399TIP3   OH248287   2.199  -0.071   3.073
+ 1399TIP3    H148288   2.165  -0.091   3.162
+ 1399TIP3    H248289   2.118  -0.091   3.021
+ 1399TIP3   OH248290   2.451  -0.169   2.957
+ 1399TIP3    H148291   2.364  -0.160   3.001
+ 1399TIP3    H248292   2.497  -0.229   3.019
+ 1399TIP3   OH248293   2.638  -0.317   3.133
+ 1399TIP3    H148294   2.622  -0.412   3.149
+ 1399TIP3    H248295   2.618  -0.276   3.219
+ 1399TIP3   OH248296   1.655  -0.178   3.078
+ 1399TIP3    H148297   1.645  -0.250   3.013
+ 1399TIP3    H248298   1.632  -0.224   3.161
+ 1399TIP3   OH248299   2.056  -0.579   2.977
+ 1399TIP3    H148300   2.115  -0.656   2.983
+ 1399TIP3    H248301   2.053  -0.565   2.881
+ 1399TIP3   OH248302   2.151  -0.392   3.161
+ 1399TIP3    H148303   2.118  -0.452   3.091
+ 1399TIP3    H248304   2.081  -0.325   3.166
+ 1399TIP3   OH248305   2.055   1.299   1.504
+ 1399TIP3    H148306   2.151   1.304   1.518
+ 1399TIP3    H248307   2.045   1.360   1.430
+ 1400TIP3   OH248308   1.328   1.269   1.936
+ 1400TIP3    H148309   1.268   1.220   1.876
+ 1400TIP3    H248310   1.354   1.198   1.998
+ 1400TIP3   OH248311   1.397   1.070   2.126
+ 1400TIP3    H148312   1.362   0.983   2.152
+ 1400TIP3    H248313   1.423   1.104   2.213
+ 1400TIP3   OH248314   3.140   1.194   2.439
+ 1400TIP3    H148315   3.158   1.196   2.534
+ 1400TIP3    H248316   3.222   1.231   2.403
+ 1400TIP3   OH248317   3.130   1.143   2.722
+ 1400TIP3    H148318   3.082   1.065   2.689
+ 1400TIP3    H248319   3.185   1.101   2.791
+ 1400TIP3   OH248320   2.930   0.686   3.152
+ 1400TIP3    H148321   2.842   0.691   3.194
+ 1400TIP3    H248322   2.975   0.765   3.187
+ 1400TIP3   OH248323   3.071   0.572   1.731
+ 1400TIP3    H148324   3.160   0.609   1.746
+ 1400TIP3    H248325   3.063   0.512   1.807
+ 1400TIP3   OH248326   3.139   0.376   1.951
+ 1400TIP3    H148327   3.064   0.319   1.978
+ 1400TIP3    H248328   3.198   0.375   2.027
+ 1400TIP3   OH248329   3.092   0.621   2.420
+ 1400TIP3    H148330   3.152   0.582   2.355
+ 1400TIP3    H248331   3.103   0.716   2.401
+ 1400TIP3   OH248332   2.966   0.911   2.641
+ 1400TIP3    H148333   2.898   0.954   2.697
+ 1400TIP3    H248334   2.912   0.870   2.571
+ 1400TIP3   OH248335   3.131   0.316   1.583
+ 1400TIP3    H148336   3.090   0.350   1.501
+ 1400TIP3    H248337   3.130   0.396   1.638
+ 1401TIP3   OH248338   2.941   0.181   2.022
+ 1401TIP3    H148339   2.912   0.097   1.981
+ 1401TIP3    H248340   2.873   0.194   2.091
+ 1401TIP3   OH248341   1.396   0.404   2.372
+ 1401TIP3    H148342   1.418   0.413   2.277
+ 1401TIP3    H248343   1.485   0.383   2.409
+ 1401TIP3   OH248344   2.975   0.377   2.909
+ 1401TIP3    H148345   3.043   0.314   2.940
+ 1401TIP3    H248346   3.022   0.461   2.910
+ 1401TIP3   OH248347   3.127   0.191   3.039
+ 1401TIP3    H148348   3.048   0.135   3.019
+ 1401TIP3    H248349   3.197   0.123   3.039
+ 1401TIP3   OH248350   2.889  -0.056   1.833
+ 1401TIP3    H148351   2.900  -0.153   1.832
+ 1401TIP3    H248352   2.962  -0.029   1.775
+ 1401TIP3   OH248353   2.968   0.027   2.364
+ 1401TIP3    H148354   3.048   0.002   2.412
+ 1401TIP3    H248355   2.905   0.007   2.436
+ 1401TIP3   OH248356   2.937   0.063   2.646
+ 1401TIP3    H148357   2.850   0.092   2.678
+ 1401TIP3    H248358   2.980   0.148   2.628
+ 1401TIP3   OH248359   1.387  -0.058   3.016
+ 1401TIP3    H148360   1.480  -0.084   3.022
+ 1401TIP3    H248361   1.342  -0.144   3.024
+ 1401TIP3   OH248362   3.190  -0.518   3.176
+ 1401TIP3    H148363   3.234  -0.587   3.125
+ 1401TIP3    H248364   3.197  -0.440   3.118
+ 1401TIP3   OH248365   2.919  -0.343   1.828
+ 1401TIP3    H148366   2.924  -0.393   1.911
+ 1401TIP3    H248367   2.853  -0.396   1.780
+ 1402TIP3   OH248368   1.466  -0.228   2.295
+ 1402TIP3    H148369   1.510  -0.314   2.302
+ 1402TIP3    H248370   1.532  -0.168   2.334
+ 1402TIP3   OH248371   1.324   0.040   2.404
+ 1402TIP3    H148372   1.371   0.044   2.319
+ 1402TIP3    H248373   1.354   0.122   2.446
+ 1402TIP3   OH248374   3.133  -0.311   3.000
+ 1402TIP3    H148375   3.044  -0.273   3.013
+ 1402TIP3    H248376   3.115  -0.369   2.923
+ 1402TIP3   OH248377   3.133  -0.283   1.482
+ 1402TIP3    H148378   3.147  -0.369   1.439
+ 1402TIP3    H248379   3.224  -0.251   1.494
+ 1402TIP3   OH248380   1.394  -0.315   1.796
+ 1402TIP3    H148381   1.297  -0.327   1.800
+ 1402TIP3    H248382   1.400  -0.256   1.720
+ 1402TIP3   OH248383   2.832   1.197   2.021
+ 1402TIP3    H148384   2.875   1.180   1.935
+ 1402TIP3    H248385   2.900   1.246   2.068
+ 1402TIP3   OH248386   1.372  -0.434   2.622
+ 1402TIP3    H148387   1.301  -0.462   2.682
+ 1402TIP3    H248388   1.321  -0.383   2.556
+ 1402TIP3   OH248389   1.570   0.879   3.089
+ 1402TIP3    H148390   1.496   0.873   3.027
+ 1402TIP3    H248391   1.527   0.868   3.175
+ 1402TIP3   OH248392   1.855   0.973   2.657
+ 1402TIP3    H148393   1.821   1.057   2.623
+ 1402TIP3    H248394   1.950   0.982   2.637
+ 1402TIP3   OH248395   2.308   1.100   2.958
+ 1402TIP3    H148396   2.312   1.086   3.054
+ 1402TIP3    H248397   2.391   1.148   2.941
+ 1403TIP3   OH248398   2.543   1.237   2.869
+ 1403TIP3    H148399   2.608   1.168   2.885
+ 1403TIP3    H248400   2.557   1.290   2.950
+ 1403TIP3   OH248401   3.020  -0.489   2.798
+ 1403TIP3    H148402   2.935  -0.475   2.753
+ 1403TIP3    H248403   3.040  -0.581   2.770
+ 1403TIP3   OH248404   1.594   1.270   2.691
+ 1403TIP3    H148405   1.533   1.331   2.646
+ 1403TIP3    H248406   1.557   1.271   2.780
+ 1403TIP3   OH248407   1.844   1.247   2.548
+ 1403TIP3    H148408   1.757   1.263   2.589
+ 1403TIP3    H248409   1.844   1.314   2.477
+ 1403TIP3   OH248410   2.366   1.229   2.499
+ 1403TIP3    H148411   2.305   1.268   2.433
+ 1403TIP3    H248412   2.359   1.297   2.569
+ 1403TIP3   OH248413   2.765   1.270   2.595
+ 1403TIP3    H148414   2.762   1.367   2.599
+ 1403TIP3    H248415   2.826   1.259   2.521
+ 1403TIP3   OH248416   1.552   1.150   2.387
+ 1403TIP3    H148417   1.549   1.098   2.470
+ 1403TIP3    H248418   1.624   1.104   2.339
+ 1403TIP3   OH248419   1.748   1.022   2.231
+ 1403TIP3    H148420   1.736   0.927   2.250
+ 1403TIP3    H248421   1.841   1.036   2.255
+ 1403TIP3   OH248422   2.039   1.073   2.317
+ 1403TIP3    H148423   2.043   0.980   2.290
+ 1403TIP3    H248424   2.030   1.063   2.413
+ 1403TIP3   OH248425   2.362  -0.342   2.245
+ 1403TIP3    H148426   2.292  -0.409   2.261
+ 1403TIP3    H248427   2.415  -0.386   2.178
+ 1404TIP3   OH248428   2.856  -0.535   2.292
+ 1404TIP3    H148429   2.930  -0.493   2.244
+ 1404TIP3    H248430   2.779  -0.510   2.239
+ 1404TIP3   OH248431   3.074  -0.425   2.092
+ 1404TIP3    H148432   3.126  -0.461   2.019
+ 1404TIP3    H248433   3.089  -0.329   2.083
+ 1404TIP3   OH248434   2.040  -0.485   1.997
+ 1404TIP3    H148435   2.129  -0.463   1.968
+ 1404TIP3    H248436   2.052  -0.504   2.090
+ 1404TIP3   OH248437   2.615  -0.491   2.134
+ 1404TIP3    H148438   2.614  -0.497   2.037
+ 1404TIP3    H248439   2.561  -0.569   2.159
+ 1404TIP3   OH248440   2.133  -0.318   1.692
+ 1404TIP3    H148441   2.194  -0.381   1.732
+ 1404TIP3    H248442   2.185  -0.237   1.695
+ 1404TIP3   OH248443   2.355   1.243   1.508
+ 1404TIP3    H148444   2.452   1.245   1.504
+ 1404TIP3    H248445   2.336   1.177   1.438
+ 1404TIP3   OH248446   3.013   1.162   1.778
+ 1404TIP3    H148447   2.988   1.078   1.734
+ 1404TIP3    H248448   3.007   1.224   1.704
+ 1404TIP3   OH248449   1.576  -0.445   2.958
+ 1404TIP3    H148450   1.534  -0.526   2.992
+ 1404TIP3    H248451   1.668  -0.459   2.985
+ 1404TIP3   OH248452   1.813  -0.508   3.130
+ 1404TIP3    H148453   1.895  -0.544   3.090
+ 1404TIP3    H248454   1.778  -0.587   3.173
+ 1404TIP3   OH248455   1.667   1.215   1.408
+ 1404TIP3    H148456   1.596   1.223   1.474
+ 1404TIP3    H248457   1.680   1.119   1.406
+ 1405TIP3   OH248458   2.626  -0.598   3.146
+ 1405TIP3    H148459   2.627  -0.639   3.234
+ 1405TIP3    H248460   2.720  -0.600   3.122
+ 1405TIP3   OH248461   2.966   1.039   3.011
+ 1405TIP3    H148462   2.888   1.016   2.957
+ 1405TIP3    H248463   2.945   1.130   3.037
+ 1405TIP3   OH248464   4.207   0.326   2.341
+ 1405TIP3    H148465   4.286   0.336   2.396
+ 1405TIP3    H248466   4.244   0.304   2.255
+ 1405TIP3   OH248467   3.505   0.314   2.505
+ 1405TIP3    H148468   3.507   0.236   2.563
+ 1405TIP3    H248469   3.582   0.363   2.539
+ 1405TIP3   OH248470   3.581   0.767   2.347
+ 1405TIP3    H148471   3.557   0.676   2.323
+ 1405TIP3    H248472   3.672   0.754   2.379
+ 1405TIP3   OH248473   3.258   0.117   1.911
+ 1405TIP3    H148474   3.232   0.204   1.877
+ 1405TIP3    H248475   3.211   0.058   1.850
+ 1405TIP3   OH248476   4.121   0.603   2.401
+ 1405TIP3    H148477   4.143   0.522   2.350
+ 1405TIP3    H248478   4.202   0.616   2.450
+ 1405TIP3   OH248479   3.743  -0.166   2.160
+ 1405TIP3    H148480   3.759  -0.081   2.115
+ 1405TIP3    H248481   3.711  -0.219   2.085
+ 1405TIP3   OH248482   3.947   0.241   2.153
+ 1405TIP3    H148483   4.024   0.191   2.185
+ 1405TIP3    H248484   3.900   0.171   2.103
+ 1405TIP3   OH248485   3.623  -0.265   2.549
+ 1405TIP3    H148486   3.588  -0.200   2.486
+ 1405TIP3    H248487   3.557  -0.259   2.621
+ 1406TIP3   OH248488   3.915   0.497   2.581
+ 1406TIP3    H148489   3.842   0.557   2.607
+ 1406TIP3    H248490   3.981   0.558   2.545
+ 1406TIP3   OH248491   3.555  -0.053   2.349
+ 1406TIP3    H148492   3.621   0.001   2.397
+ 1406TIP3    H248493   3.610  -0.084   2.274
+ 1406TIP3   OH248494   3.713   0.688   2.648
+ 1406TIP3    H148495   3.713   0.783   2.625
+ 1406TIP3    H248496   3.629   0.681   2.697
+ 1406TIP3   OH248497   3.341   0.660   1.743
+ 1406TIP3    H148498   3.329   0.707   1.659
+ 1406TIP3    H248499   3.362   0.732   1.806
+ 1406TIP3   OH248500   4.043  -0.539   2.280
+ 1406TIP3    H148501   4.018  -0.633   2.282
+ 1406TIP3    H248502   3.964  -0.498   2.320
+ 1406TIP3   OH248503   4.269   0.344   1.746
+ 1406TIP3    H148504   4.200   0.410   1.730
+ 1406TIP3    H248505   4.331   0.364   1.676
+ 1406TIP3   OH248506   4.289   0.189   1.466
+ 1406TIP3    H148507   4.372   0.186   1.517
+ 1406TIP3    H248508   4.296   0.111   1.409
+ 1406TIP3   OH248509   3.763   0.435   2.040
+ 1406TIP3    H148510   3.728   0.390   1.961
+ 1406TIP3    H248511   3.825   0.368   2.075
+ 1406TIP3   OH248512   3.900   0.780   2.313
+ 1406TIP3    H148513   3.889   0.733   2.229
+ 1406TIP3    H248514   3.976   0.732   2.352
+ 1406TIP3   OH248515   3.807   0.323   2.387
+ 1406TIP3    H148516   3.870   0.312   2.313
+ 1406TIP3    H248517   3.857   0.379   2.449
+ 1407TIP3   OH248518   3.905   0.752   2.871
+ 1407TIP3    H148519   3.852   0.815   2.923
+ 1407TIP3    H248520   3.839   0.722   2.805
+ 1407TIP3   OH248521   3.594   0.391   2.784
+ 1407TIP3    H148522   3.599   0.444   2.865
+ 1407TIP3    H248523   3.499   0.372   2.778
+ 1407TIP3   OH248524   4.208   0.982   1.986
+ 1407TIP3    H148525   4.300   0.992   2.016
+ 1407TIP3    H248526   4.211   1.015   1.894
+ 1407TIP3   OH248527   3.710   0.966   2.956
+ 1407TIP3    H148528   3.699   0.967   2.859
+ 1407TIP3    H248529   3.623   0.939   2.989
+ 1407TIP3   OH248530   3.651   0.309   1.794
+ 1407TIP3    H148531   3.632   0.385   1.736
+ 1407TIP3    H248532   3.587   0.244   1.763
+ 1407TIP3   OH248533   3.259   0.574   2.662
+ 1407TIP3    H148534   3.202   0.572   2.583
+ 1407TIP3    H248535   3.270   0.480   2.685
+ 1407TIP3   OH248536   3.260   0.864   2.363
+ 1407TIP3    H148537   3.354   0.841   2.366
+ 1407TIP3    H248538   3.255   0.930   2.434
+ 1407TIP3   OH248539   4.171   0.855   2.818
+ 1407TIP3    H148540   4.179   0.939   2.865
+ 1407TIP3    H248541   4.082   0.822   2.844
+ 1407TIP3   OH248542   4.196   1.234   1.833
+ 1407TIP3    H148543   4.198   1.219   1.737
+ 1407TIP3    H248544   4.209   1.329   1.840
+ 1407TIP3   OH248545   3.577   1.145   1.976
+ 1407TIP3    H148546   3.588   1.101   2.062
+ 1407TIP3    H248547   3.492   1.109   1.946
+ 1408TIP3   OH248548   3.475   0.731   2.791
+ 1408TIP3    H148549   3.503   0.685   2.874
+ 1408TIP3    H248550   3.404   0.673   2.757
+ 1408TIP3   OH248551   3.795  -0.425   2.369
+ 1408TIP3    H148552   3.715  -0.432   2.315
+ 1408TIP3    H248553   3.772  -0.347   2.422
+ 1408TIP3   OH248554   4.234  -0.488   2.793
+ 1408TIP3    H148555   4.247  -0.558   2.860
+ 1408TIP3    H248556   4.143  -0.508   2.763
+ 1408TIP3   OH248557   4.233  -0.208   1.471
+ 1408TIP3    H148558   4.167  -0.227   1.539
+ 1408TIP3    H248559   4.206  -0.271   1.402
+ 1408TIP3   OH248560   3.764   0.050   2.503
+ 1408TIP3    H148561   3.720   0.062   2.589
+ 1408TIP3    H248562   3.782   0.141   2.475
+ 1408TIP3   OH248563   3.774   0.062   1.999
+ 1408TIP3    H148564   3.678   0.050   1.988
+ 1408TIP3    H248565   3.805   0.044   1.908
+ 1408TIP3   OH248566   4.270   0.099   1.934
+ 1408TIP3    H148567   4.280   0.194   1.913
+ 1408TIP3    H248568   4.360   0.066   1.947
+ 1408TIP3   OH248569   4.250   0.146   3.031
+ 1408TIP3    H148570   4.194   0.065   3.045
+ 1408TIP3    H248571   4.337   0.102   3.029
+ 1408TIP3   OH248572   3.509   0.074   2.694
+ 1408TIP3    H148573   3.547   0.102   2.778
+ 1408TIP3    H248574   3.483  -0.018   2.715
+ 1408TIP3   OH248575   3.862  -0.164   1.353
+ 1408TIP3    H148576   3.820  -0.206   1.430
+ 1408TIP3    H248577   3.788  -0.150   1.293
+ 1409TIP3   OH248578   3.205  -0.159   2.065
+ 1409TIP3    H148579   3.264  -0.193   2.135
+ 1409TIP3    H248580   3.233  -0.210   1.986
+ 1409TIP3   OH248581   3.351  -0.140   1.628
+ 1409TIP3    H148582   3.408  -0.094   1.563
+ 1409TIP3    H248583   3.281  -0.074   1.641
+ 1409TIP3   OH248584   4.345   0.201   2.632
+ 1409TIP3    H148585   4.378   0.136   2.568
+ 1409TIP3    H248586   4.274   0.149   2.673
+ 1409TIP3   OH248587   4.047  -0.198   2.101
+ 1409TIP3    H148588   3.954  -0.189   2.127
+ 1409TIP3    H248589   4.091  -0.180   2.186
+ 1409TIP3   OH248590   3.513  -0.047   1.991
+ 1409TIP3    H148591   3.428  -0.023   1.949
+ 1409TIP3    H248592   3.540  -0.127   1.943
+ 1409TIP3   OH248593   3.869  -0.023   1.734
+ 1409TIP3    H148594   3.965  -0.012   1.741
+ 1409TIP3    H248595   3.844   0.038   1.662
+ 1409TIP3   OH248596   3.722   0.104   1.513
+ 1409TIP3    H148597   3.662   0.076   1.442
+ 1409TIP3    H248598   3.803   0.120   1.462
+ 1409TIP3   OH248599   3.582   0.578   3.010
+ 1409TIP3    H148600   3.650   0.586   3.081
+ 1409TIP3    H248601   3.502   0.574   3.065
+ 1409TIP3   OH248602   4.140   0.042   2.243
+ 1409TIP3    H148603   4.216   0.007   2.197
+ 1409TIP3    H248604   4.163   0.026   2.336
+ 1409TIP3   OH248605   3.673  -0.275   1.908
+ 1409TIP3    H148606   3.621  -0.357   1.915
+ 1409TIP3    H248607   3.752  -0.305   1.860
+ 1410TIP3   OH248608   4.050  -0.089   2.511
+ 1410TIP3    H148609   3.979  -0.024   2.497
+ 1410TIP3    H248610   4.102  -0.048   2.584
+ 1410TIP3   OH248611   4.071   0.550   1.700
+ 1410TIP3    H148612   3.994   0.501   1.663
+ 1410TIP3    H248613   4.048   0.555   1.796
+ 1410TIP3   OH248614   4.198   0.547   2.821
+ 1410TIP3    H148615   4.188   0.535   2.916
+ 1410TIP3    H248616   4.214   0.642   2.812
+ 1410TIP3   OH248617   3.557   0.485   2.261
+ 1410TIP3    H148618   3.625   0.485   2.191
+ 1410TIP3    H248619   3.589   0.414   2.318
+ 1410TIP3   OH248620   4.287   0.689   1.600
+ 1410TIP3    H148621   4.260   0.778   1.629
+ 1410TIP3    H248622   4.210   0.636   1.629
+ 1410TIP3   OH248623   3.297   0.326   2.802
+ 1410TIP3    H148624   3.322   0.290   2.890
+ 1410TIP3    H248625   3.243   0.254   2.766
+ 1410TIP3   OH248626   4.002   0.280   3.003
+ 1410TIP3    H148627   3.972   0.249   2.916
+ 1410TIP3    H248628   4.095   0.252   3.001
+ 1410TIP3   OH248629   3.813   0.828   2.003
+ 1410TIP3    H148630   3.857   0.914   1.991
+ 1410TIP3    H248631   3.722   0.848   1.979
+ 1410TIP3   OH248632   3.415   0.308   1.471
+ 1410TIP3    H148633   3.477   0.375   1.505
+ 1410TIP3    H248634   3.329   0.347   1.492
+ 1410TIP3   OH248635   3.997   0.600   1.967
+ 1410TIP3    H148636   3.963   0.689   1.981
+ 1410TIP3    H248637   3.927   0.546   2.008
+ 1411TIP3   OH248638   4.018   1.027   2.608
+ 1411TIP3    H148639   4.075   1.097   2.571
+ 1411TIP3    H248640   4.083   0.974   2.657
+ 1411TIP3   OH248641   3.868   1.124   1.937
+ 1411TIP3    H148642   3.771   1.128   1.938
+ 1411TIP3    H248643   3.891   1.218   1.955
+ 1411TIP3   OH248644   3.440  -0.207   2.759
+ 1411TIP3    H148645   3.347  -0.185   2.742
+ 1411TIP3    H248646   3.431  -0.292   2.807
+ 1411TIP3   OH248647   3.414   0.967   2.605
+ 1411TIP3    H148648   3.443   0.877   2.627
+ 1411TIP3    H248649   3.431   1.011   2.690
+ 1411TIP3   OH248650   3.995   0.840   1.311
+ 1411TIP3    H148651   4.028   0.765   1.256
+ 1411TIP3    H248652   3.955   0.791   1.385
+ 1411TIP3   OH248653   3.885   0.781   1.585
+ 1411TIP3    H148654   3.934   0.729   1.650
+ 1411TIP3    H248655   3.898   0.873   1.616
+ 1411TIP3   OH248656   3.565   0.530   1.619
+ 1411TIP3    H148657   3.494   0.570   1.672
+ 1411TIP3    H248658   3.614   0.609   1.589
+ 1411TIP3   OH248659   4.335  -0.181   2.677
+ 1411TIP3    H148660   4.391  -0.257   2.695
+ 1411TIP3    H248661   4.273  -0.218   2.613
+ 1411TIP3   OH248662   4.174   0.961   1.650
+ 1411TIP3    H148663   4.084   0.999   1.650
+ 1411TIP3    H248664   4.210   0.997   1.568
+ 1411TIP3   OH248665   4.127  -0.101   1.838
+ 1411TIP3    H148666   4.187  -0.026   1.862
+ 1411TIP3    H248667   4.094  -0.120   1.928
+ 1412TIP3   OH248668   4.168   0.012   2.760
+ 1412TIP3    H148669   4.185   0.055   2.844
+ 1412TIP3    H248670   4.233  -0.061   2.758
+ 1412TIP3   OH248671   4.193  -0.384   1.958
+ 1412TIP3    H148672   4.165  -0.306   2.012
+ 1412TIP3    H248673   4.272  -0.349   1.913
+ 1412TIP3   OH248674   3.899   1.054   1.642
+ 1412TIP3    H148675   3.891   1.132   1.583
+ 1412TIP3    H248676   3.882   1.094   1.729
+ 1412TIP3   OH248677   3.767  -0.277   1.592
+ 1412TIP3    H148678   3.774  -0.197   1.646
+ 1412TIP3    H248679   3.850  -0.324   1.614
+ 1412TIP3   OH248680   3.611   0.809   1.497
+ 1412TIP3    H148681   3.684   0.859   1.535
+ 1412TIP3    H248682   3.658   0.761   1.428
+ 1412TIP3   OH248683   3.425   0.028   1.411
+ 1412TIP3    H148684   3.437   0.123   1.429
+ 1412TIP3    H248685   3.345   0.027   1.357
+ 1412TIP3   OH248686   3.511  -0.466   2.282
+ 1412TIP3    H148687   3.496  -0.474   2.186
+ 1412TIP3    H248688   3.483  -0.553   2.316
+ 1412TIP3   OH248689   3.404   0.881   1.914
+ 1412TIP3    H148690   3.327   0.934   1.937
+ 1412TIP3    H248691   3.443   0.934   1.843
+ 1412TIP3   OH248692   3.347   1.172   3.026
+ 1412TIP3    H148693   3.403   1.147   3.101
+ 1412TIP3    H248694   3.306   1.087   3.001
+ 1412TIP3   OH248695   3.816   1.080   3.206
+ 1412TIP3    H148696   3.882   1.012   3.227
+ 1412TIP3    H248697   3.790   1.053   3.117
+ 1413TIP3   OH248698   4.229   1.000   1.348
+ 1413TIP3    H148699   4.146   0.948   1.339
+ 1413TIP3    H248700   4.293   0.931   1.327
+ 1413TIP3   OH248701   3.343   0.538   3.139
+ 1413TIP3    H148702   3.350   0.445   3.111
+ 1413TIP3    H248703   3.263   0.566   3.091
+ 1413TIP3   OH248704   3.763   0.580   1.343
+ 1413TIP3    H148705   3.781   0.518   1.416
+ 1413TIP3    H248706   3.847   0.575   1.293
+ 1413TIP3   OH248707   4.007   0.557   3.073
+ 1413TIP3    H148708   3.980   0.588   2.985
+ 1413TIP3    H248709   4.016   0.460   3.060
+ 1413TIP3   OH248710   4.260   0.711   1.298
+ 1413TIP3    H148711   4.280   0.720   1.393
+ 1413TIP3    H248712   4.245   0.616   1.290
+ 1413TIP3   OH248713   3.427   0.254   3.054
+ 1413TIP3    H148714   3.498   0.186   3.053
+ 1413TIP3    H248715   3.421   0.271   3.149
+ 1413TIP3   OH248716   3.872   0.385   1.575
+ 1413TIP3    H148717   3.810   0.333   1.629
+ 1413TIP3    H248718   3.904   0.317   1.512
+ 1413TIP3   OH248719   3.793   0.162   2.789
+ 1413TIP3    H148720   3.744   0.239   2.822
+ 1413TIP3    H248721   3.859   0.204   2.731
+ 1413TIP3   OH248722   3.978   0.188   1.405
+ 1413TIP3    H148723   3.968   0.191   1.308
+ 1413TIP3    H248724   4.075   0.197   1.414
+ 1413TIP3   OH248725   4.285   0.412   3.171
+ 1413TIP3    H148726   4.354   0.379   3.113
+ 1413TIP3    H248727   4.267   0.332   3.223
+ 1414TIP3   OH248728   3.856  -0.106   2.917
+ 1414TIP3    H148729   3.862  -0.174   2.847
+ 1414TIP3    H248730   3.837  -0.026   2.865
+ 1414TIP3   OH248731   3.882  -0.261   2.657
+ 1414TIP3    H148732   3.936  -0.207   2.596
+ 1414TIP3    H248733   3.793  -0.254   2.618
+ 1414TIP3   OH248734   4.059   0.278   2.690
+ 1414TIP3    H148735   4.136   0.274   2.632
+ 1414TIP3    H248736   4.030   0.370   2.676
+ 1414TIP3   OH248737   3.673   0.079   3.086
+ 1414TIP3    H148738   3.618  -0.000   3.096
+ 1414TIP3    H248739   3.756   0.041   3.051
+ 1414TIP3   OH248740   3.973  -0.523   2.694
+ 1414TIP3    H148741   3.947  -0.430   2.678
+ 1414TIP3    H248742   3.906  -0.571   2.641
+ 1414TIP3   OH248743   4.101  -0.078   3.070
+ 1414TIP3    H148744   4.070  -0.111   3.155
+ 1414TIP3    H248745   4.027  -0.105   3.013
+ 1414TIP3   OH248746   3.534  -0.178   3.076
+ 1414TIP3    H148747   3.532  -0.252   3.014
+ 1414TIP3    H248748   3.520  -0.223   3.161
+ 1414TIP3   OH248749   3.947  -0.576   2.979
+ 1414TIP3    H148750   4.002  -0.655   2.987
+ 1414TIP3    H248751   3.947  -0.561   2.883
+ 1414TIP3   OH248752   4.041  -0.393   3.173
+ 1414TIP3    H148753   4.009  -0.456   3.105
+ 1414TIP3    H248754   3.967  -0.332   3.181
+ 1414TIP3   OH248755   3.958   1.306   1.514
+ 1414TIP3    H148756   4.054   1.316   1.517
+ 1414TIP3    H248757   3.938   1.356   1.433
+ 1415TIP3   OH248758   3.336   0.747   1.469
+ 1415TIP3    H148759   3.432   0.768   1.477
+ 1415TIP3    H248760   3.337   0.673   1.406
+ 1415TIP3   OH248761   3.236   1.269   1.936
+ 1415TIP3    H148762   3.163   1.234   1.882
+ 1415TIP3    H248763   3.242   1.202   2.007
+ 1415TIP3   OH248764   3.273   1.072   2.138
+ 1415TIP3    H148765   3.243   0.985   2.170
+ 1415TIP3    H248766   3.307   1.110   2.220
+ 1415TIP3   OH248767   3.291   0.368   2.324
+ 1415TIP3    H148768   3.343   0.421   2.261
+ 1415TIP3    H248769   3.357   0.367   2.397
+ 1415TIP3   OH248770   3.274  -0.058   3.009
+ 1415TIP3    H148771   3.367  -0.085   3.025
+ 1415TIP3    H248772   3.228  -0.143   3.023
+ 1415TIP3   OH248773   3.342  -0.221   2.307
+ 1415TIP3    H148774   3.392  -0.305   2.311
+ 1415TIP3    H248775   3.415  -0.157   2.325
+ 1415TIP3   OH248776   3.230  -0.315   1.816
+ 1415TIP3    H148777   3.139  -0.316   1.781
+ 1415TIP3    H248778   3.279  -0.267   1.747
+ 1415TIP3   OH248779   3.256  -0.432   2.624
+ 1415TIP3    H148780   3.189  -0.464   2.687
+ 1415TIP3    H248781   3.201  -0.393   2.556
+ 1415TIP3   OH248782   3.456   0.877   3.090
+ 1415TIP3    H148783   3.383   0.874   3.027
+ 1415TIP3    H248784   3.411   0.870   3.175
+ 1415TIP3   OH248785   3.740   0.971   2.655
+ 1415TIP3    H148786   3.710   1.058   2.624
+ 1415TIP3    H248787   3.836   0.982   2.639
+ 1416TIP3   OH248788   4.220   1.138   2.947
+ 1416TIP3    H148789   4.204   1.100   3.035
+ 1416TIP3    H248790   4.316   1.158   2.955
+ 1416TIP3   OH248791   3.476   1.268   2.690
+ 1416TIP3    H148792   3.416   1.332   2.647
+ 1416TIP3    H248793   3.445   1.273   2.781
+ 1416TIP3   OH248794   3.726   1.245   2.545
+ 1416TIP3    H148795   3.643   1.265   2.592
+ 1416TIP3    H248796   3.729   1.317   2.479
+ 1416TIP3   OH248797   4.180   1.236   2.473
+ 1416TIP3    H148798   4.150   1.314   2.425
+ 1416TIP3    H248799   4.250   1.273   2.527
+ 1416TIP3   OH248800   3.434   1.147   2.384
+ 1416TIP3    H148801   3.434   1.101   2.470
+ 1416TIP3    H248802   3.512   1.106   2.342
+ 1416TIP3   OH248803   3.638   1.022   2.232
+ 1416TIP3    H148804   3.622   0.928   2.255
+ 1416TIP3    H248805   3.727   1.036   2.268
+ 1416TIP3   OH248806   3.952   1.086   2.291
+ 1416TIP3    H148807   3.940   0.990   2.291
+ 1416TIP3    H248808   3.935   1.107   2.385
+ 1416TIP3   OH248809   4.262  -0.371   2.251
+ 1416TIP3    H148810   4.180  -0.422   2.262
+ 1416TIP3    H248811   4.299  -0.412   2.172
+ 1416TIP3   OH248812   3.477  -0.487   2.000
+ 1416TIP3    H148813   3.392  -0.500   1.952
+ 1416TIP3    H248814   3.521  -0.572   1.983
+ 1416TIP3   OH248815   3.375  -0.525   1.597
+ 1416TIP3    H148816   3.416  -0.456   1.543
+ 1416TIP3    H248817   3.317  -0.474   1.656
+ 1417TIP3   OH248818   3.931  -0.489   1.995
+ 1417TIP3    H148819   4.023  -0.458   1.982
+ 1417TIP3    H248820   3.929  -0.498   2.091
+ 1417TIP3   OH248821   3.380   1.075   1.709
+ 1417TIP3    H148822   3.317   1.063   1.637
+ 1417TIP3    H248823   3.378   1.172   1.716
+ 1417TIP3   OH248824   3.533  -0.339   1.438
+ 1417TIP3    H148825   3.591  -0.394   1.383
+ 1417TIP3    H248826   3.595  -0.308   1.506
+ 1417TIP3   OH248827   4.063  -0.321   1.691
+ 1417TIP3    H148828   4.067  -0.383   1.765
+ 1417TIP3    H248829   4.064  -0.235   1.738
+ 1417TIP3   OH248830   4.263   1.239   1.518
+ 1417TIP3    H148831   4.350   1.277   1.500
+ 1417TIP3    H248832   4.249   1.180   1.442
+ 1417TIP3   OH248833   3.464  -0.446   2.955
+ 1417TIP3    H148834   3.419  -0.525   2.991
+ 1417TIP3    H248835   3.554  -0.462   2.987
+ 1417TIP3   OH248836   3.696  -0.510   3.128
+ 1417TIP3    H148837   3.779  -0.546   3.091
+ 1417TIP3    H248838   3.664  -0.587   3.177
+ 1417TIP3   OH248839   3.522   1.168   1.388
+ 1417TIP3    H148840   3.500   1.198   1.477
+ 1417TIP3    H248841   3.600   1.113   1.402
+ 1417TIP3   OH248842  -3.163   2.292   2.034
+ 1417TIP3    H148843  -3.161   2.389   2.033
+ 1417TIP3    H248844  -3.235   2.274   1.972
+ 1417TIP3   OH248845  -3.283   2.238   2.344
+ 1417TIP3    H148846  -3.280   2.171   2.415
+ 1417TIP3    H248847  -3.301   2.182   2.267
+ 1418TIP3   OH248848  -4.035   2.203   2.511
+ 1418TIP3    H148849  -4.027   2.125   2.567
+ 1418TIP3    H248850  -3.954   2.252   2.531
+ 1418TIP3   OH248851  -2.911   2.512   2.170
+ 1418TIP3    H148852  -2.941   2.434   2.220
+ 1418TIP3    H248853  -2.874   2.566   2.240
+ 1418TIP3   OH248854  -3.957   2.657   2.350
+ 1418TIP3    H148855  -3.987   2.567   2.327
+ 1418TIP3    H248856  -3.865   2.638   2.374
+ 1418TIP3   OH248857  -4.207   1.979   1.817
+ 1418TIP3    H148858  -4.168   2.023   1.894
+ 1418TIP3    H248859  -4.218   1.888   1.848
+ 1418TIP3   OH248860  -4.208   2.222   2.100
+ 1418TIP3    H148861  -4.164   2.145   2.141
+ 1418TIP3    H248862  -4.136   2.258   2.047
+ 1418TIP3   OH248863  -3.209   3.039   2.218
+ 1418TIP3    H148864  -3.141   2.973   2.197
+ 1418TIP3    H248865  -3.226   3.026   2.312
+ 1418TIP3   OH248866  -3.380   2.501   2.410
+ 1418TIP3    H148867  -3.381   2.440   2.333
+ 1418TIP3    H248868  -3.354   2.437   2.477
+ 1418TIP3   OH248869  -2.562   1.639   2.457
+ 1418TIP3    H148870  -2.535   1.698   2.529
+ 1418TIP3    H248871  -2.498   1.666   2.387
+ 1418TIP3   OH248872  -3.099   1.919   2.443
+ 1418TIP3    H148873  -3.080   1.824   2.451
+ 1418TIP3    H248874  -3.106   1.929   2.347
+ 1418TIP3   OH248875  -3.788   1.710   2.166
+ 1418TIP3    H148876  -3.829   1.798   2.162
+ 1418TIP3    H248877  -3.829   1.668   2.087
+ 1419TIP3   OH248878  -3.014   1.739   1.986
+ 1419TIP3    H148879  -2.956   1.696   2.052
+ 1419TIP3    H248880  -2.948   1.781   1.929
+ 1419TIP3   OH248881  -3.611   2.109   2.131
+ 1419TIP3    H148882  -3.547   2.053   2.178
+ 1419TIP3    H248883  -3.679   2.045   2.105
+ 1419TIP3   OH248884  -2.487   1.773   2.705
+ 1419TIP3    H148885  -2.547   1.845   2.678
+ 1419TIP3    H248886  -2.502   1.774   2.801
+ 1419TIP3   OH248887  -3.898   1.656   2.579
+ 1419TIP3    H148888  -3.926   1.676   2.489
+ 1419TIP3    H248889  -3.984   1.637   2.622
+ 1419TIP3   OH248890  -3.174   2.573   1.912
+ 1419TIP3    H148891  -3.199   2.547   1.823
+ 1419TIP3    H248892  -3.218   2.660   1.923
+ 1419TIP3   OH248893  -3.621   2.394   2.575
+ 1419TIP3    H148894  -3.701   2.439   2.609
+ 1419TIP3    H248895  -3.569   2.469   2.545
+ 1419TIP3   OH248896  -2.832   1.662   2.187
+ 1419TIP3    H148897  -2.869   1.600   2.252
+ 1419TIP3    H248898  -2.778   1.719   2.244
+ 1419TIP3   OH248899  -3.827   2.572   2.654
+ 1419TIP3    H148900  -3.831   2.665   2.623
+ 1419TIP3    H248901  -3.916   2.566   2.694
+ 1419TIP3   OH248902  -4.181   2.539   1.743
+ 1419TIP3    H148903  -4.264   2.554   1.692
+ 1419TIP3    H248904  -4.193   2.598   1.819
+ 1419TIP3   OH248905  -2.888   2.697   2.428
+ 1419TIP3    H148906  -2.951   2.769   2.416
+ 1419TIP3    H248907  -2.812   2.740   2.385
+ 1420TIP3   OH248908  -2.819   1.576   2.571
+ 1420TIP3    H148909  -2.895   1.615   2.525
+ 1420TIP3    H248910  -2.746   1.595   2.510
+ 1420TIP3   OH248911  -3.506   1.349   2.278
+ 1420TIP3    H148912  -3.526   1.254   2.270
+ 1420TIP3    H248913  -3.590   1.383   2.315
+ 1420TIP3   OH248914  -3.017   2.879   2.091
+ 1420TIP3    H148915  -2.976   2.802   2.046
+ 1420TIP3    H248916  -2.956   2.950   2.064
+ 1420TIP3   OH248917  -2.883   2.675   1.939
+ 1420TIP3    H148918  -2.919   2.623   1.865
+ 1420TIP3    H248919  -2.883   2.608   2.010
+ 1420TIP3   OH248920  -2.738   2.556   2.784
+ 1420TIP3    H148921  -2.730   2.485   2.717
+ 1420TIP3    H248922  -2.703   2.633   2.737
+ 1420TIP3   OH248923  -3.293   2.247   1.759
+ 1420TIP3    H148924  -3.362   2.299   1.714
+ 1420TIP3    H248925  -3.223   2.245   1.691
+ 1420TIP3   OH248926  -3.267   2.062   1.463
+ 1420TIP3    H148927  -3.195   2.093   1.521
+ 1420TIP3    H248928  -3.218   2.003   1.403
+ 1420TIP3   OH248929  -2.546   2.167   2.580
+ 1420TIP3    H148930  -2.617   2.234   2.590
+ 1420TIP3    H248931  -2.497   2.202   2.503
+ 1420TIP3   OH248932  -2.945   2.243   1.864
+ 1420TIP3    H148933  -3.013   2.261   1.933
+ 1420TIP3    H248934  -2.883   2.186   1.914
+ 1420TIP3   OH248935  -2.961   2.093   2.745
+ 1420TIP3    H148936  -2.955   2.169   2.804
+ 1420TIP3    H248937  -3.023   2.129   2.680
+ 1421TIP3   OH248938  -3.774   2.324   2.037
+ 1421TIP3    H148939  -3.819   2.282   1.960
+ 1421TIP3    H248940  -3.723   2.248   2.071
+ 1421TIP3   OH248941  -3.642   2.658   2.315
+ 1421TIP3    H148942  -3.660   2.619   2.228
+ 1421TIP3    H248943  -3.560   2.615   2.342
+ 1421TIP3   OH248944  -3.712   2.191   2.395
+ 1421TIP3    H148945  -3.667   2.207   2.311
+ 1421TIP3    H248946  -3.682   2.265   2.451
+ 1421TIP3   OH248947  -3.641   2.634   2.869
+ 1421TIP3    H148948  -3.692   2.697   2.923
+ 1421TIP3    H248949  -3.709   2.607   2.804
+ 1421TIP3   OH248950  -3.050   2.190   1.609
+ 1421TIP3    H148951  -3.001   2.214   1.690
+ 1421TIP3    H248952  -3.000   2.239   1.540
+ 1421TIP3   OH248953  -3.951   2.257   2.796
+ 1421TIP3    H148954  -3.943   2.322   2.868
+ 1421TIP3    H248955  -4.044   2.266   2.772
+ 1421TIP3   OH248956  -3.294   2.848   1.964
+ 1421TIP3    H148957  -3.247   2.879   2.043
+ 1421TIP3    H248958  -3.361   2.916   1.951
+ 1421TIP3   OH248959  -3.835   2.844   2.957
+ 1421TIP3    H148960  -3.846   2.851   2.860
+ 1421TIP3    H248961  -3.927   2.831   2.987
+ 1421TIP3   OH248962  -2.707   1.363   1.555
+ 1421TIP3    H148963  -2.792   1.372   1.602
+ 1421TIP3    H248964  -2.670   1.452   1.563
+ 1421TIP3   OH248965  -3.885   2.195   1.797
+ 1421TIP3    H148966  -3.919   2.265   1.739
+ 1421TIP3    H248967  -3.946   2.122   1.780
+ 1422TIP3   OH248968  -2.567   2.777   1.417
+ 1422TIP3    H148969  -2.550   2.871   1.438
+ 1422TIP3    H248970  -2.479   2.736   1.431
+ 1422TIP3   OH248971  -4.264   2.467   2.653
+ 1422TIP3    H148972  -4.298   2.444   2.565
+ 1422TIP3    H248973  -4.294   2.391   2.705
+ 1422TIP3   OH248974  -4.277   2.763   2.339
+ 1422TIP3    H148975  -4.198   2.713   2.363
+ 1422TIP3    H248976  -4.306   2.797   2.424
+ 1422TIP3   OH248977  -2.443   2.815   2.935
+ 1422TIP3    H148978  -2.453   2.719   2.922
+ 1422TIP3    H248979  -2.533   2.838   2.967
+ 1422TIP3   OH248980  -3.378   2.742   2.815
+ 1422TIP3    H148981  -3.371   2.821   2.873
+ 1422TIP3    H248982  -3.467   2.709   2.840
+ 1422TIP3   OH248983  -3.974   3.031   1.978
+ 1422TIP3    H148984  -3.955   2.989   2.065
+ 1422TIP3    H248985  -4.053   2.980   1.953
+ 1422TIP3   OH248986  -3.018   3.064   1.532
+ 1422TIP3    H148987  -2.960   3.001   1.485
+ 1422TIP3    H248988  -3.013   3.029   1.623
+ 1422TIP3   OH248989  -3.097   3.058   1.820
+ 1422TIP3    H148990  -3.183   3.016   1.809
+ 1422TIP3    H248991  -3.046   2.984   1.857
+ 1422TIP3   OH248992  -2.763   1.954   2.979
+ 1422TIP3    H148993  -2.815   1.987   2.905
+ 1422TIP3    H248994  -2.759   1.858   2.960
+ 1422TIP3   OH248995  -4.069   2.614   2.789
+ 1422TIP3    H148996  -4.045   2.562   2.868
+ 1422TIP3    H248997  -4.150   2.569   2.757
+ 1423TIP3   OH248998  -3.753   1.457   2.376
+ 1423TIP3    H148999  -3.832   1.453   2.320
+ 1423TIP3    H249000  -3.756   1.549   2.406
+ 1423TIP3   OH249001  -3.311   1.420   2.730
+ 1423TIP3    H149002  -3.260   1.368   2.794
+ 1423TIP3    H249003  -3.403   1.394   2.748
+ 1423TIP3   OH249004  -3.000   1.799   2.780
+ 1423TIP3    H149005  -3.053   1.784   2.861
+ 1423TIP3    H249006  -3.000   1.895   2.771
+ 1423TIP3   OH249007  -2.894   2.298   1.411
+ 1423TIP3    H149008  -2.915   2.278   1.317
+ 1423TIP3    H249009  -2.799   2.318   1.403
+ 1423TIP3   OH249010  -3.330   1.672   1.460
+ 1423TIP3    H149011  -3.379   1.658   1.542
+ 1423TIP3    H249012  -3.371   1.605   1.403
+ 1423TIP3   OH249013  -3.783   1.927   2.509
+ 1423TIP3    H149014  -3.873   1.949   2.538
+ 1423TIP3    H249015  -3.771   1.995   2.439
+ 1423TIP3   OH249016  -3.208   2.007   1.877
+ 1423TIP3    H149017  -3.249   2.088   1.840
+ 1423TIP3    H249018  -3.139   1.989   1.810
+ 1423TIP3   OH249019  -3.290   2.025   3.009
+ 1423TIP3    H149020  -3.339   1.948   3.044
+ 1423TIP3    H249021  -3.202   2.014   3.050
+ 1423TIP3   OH249022  -3.128   1.947   2.155
+ 1423TIP3    H149023  -3.156   2.002   2.079
+ 1423TIP3    H249024  -3.104   1.865   2.107
+ 1423TIP3   OH249025  -4.003   1.941   2.699
+ 1423TIP3    H149026  -4.020   2.003   2.772
+ 1423TIP3    H249027  -4.070   1.872   2.714
+ 1424TIP3   OH249028  -3.686   1.714   1.352
+ 1424TIP3    H149029  -3.724   1.681   1.435
+ 1424TIP3    H249030  -3.764   1.732   1.298
+ 1424TIP3   OH249031  -4.333   1.699   2.070
+ 1424TIP3    H149032  -4.278   1.705   2.150
+ 1424TIP3    H249033  -4.273   1.660   2.006
+ 1424TIP3   OH249034  -4.211   1.749   1.630
+ 1424TIP3    H149035  -4.147   1.785   1.567
+ 1424TIP3    H249036  -4.277   1.819   1.634
+ 1424TIP3   OH249037  -3.217   2.113   2.596
+ 1424TIP3    H149038  -3.168   2.041   2.548
+ 1424TIP3    H249039  -3.242   2.067   2.677
+ 1424TIP3   OH249040  -3.500   1.710   2.101
+ 1424TIP3    H149041  -3.596   1.706   2.121
+ 1424TIP3    H249042  -3.461   1.687   2.187
+ 1424TIP3   OH249043  -3.683   1.856   1.744
+ 1424TIP3    H149044  -3.591   1.879   1.762
+ 1424TIP3    H249045  -3.716   1.930   1.689
+ 1424TIP3   OH249046  -3.052   1.624   2.402
+ 1424TIP3    H149047  -3.117   1.622   2.475
+ 1424TIP3    H249048  -3.108   1.588   2.330
+ 1424TIP3   OH249049  -3.822   1.987   1.515
+ 1424TIP3    H149050  -3.880   1.957   1.444
+ 1424TIP3    H249051  -3.739   2.004   1.467
+ 1424TIP3   OH249052  -2.751   3.199   3.066
+ 1424TIP3    H149053  -2.727   3.247   2.985
+ 1424TIP3    H249054  -2.684   3.231   3.128
+ 1424TIP3   OH249055  -3.955   2.461   3.011
+ 1424TIP3    H149056  -3.893   2.466   3.087
+ 1424TIP3    H249057  -4.040   2.471   3.059
+ 1425TIP3   OH249058  -3.398   1.954   2.300
+ 1425TIP3    H149059  -3.328   1.921   2.242
+ 1425TIP3    H249060  -3.398   1.888   2.371
+ 1425TIP3   OH249061  -3.871   1.602   1.927
+ 1425TIP3    H149062  -3.921   1.522   1.908
+ 1425TIP3    H249063  -3.800   1.599   1.861
+ 1425TIP3   OH249064  -3.534   1.778   2.544
+ 1425TIP3    H149065  -3.589   1.848   2.506
+ 1425TIP3    H249066  -3.467   1.826   2.596
+ 1425TIP3   OH249067  -3.483   2.453   1.697
+ 1425TIP3    H149068  -3.556   2.398   1.661
+ 1425TIP3    H249069  -3.498   2.448   1.793
+ 1425TIP3   OH249070  -2.754   2.364   2.570
+ 1425TIP3    H149071  -2.705   2.416   2.502
+ 1425TIP3    H249072  -2.841   2.353   2.529
+ 1425TIP3   OH249073  -3.062   1.729   1.475
+ 1425TIP3    H149074  -3.160   1.728   1.470
+ 1425TIP3    H249075  -3.043   1.803   1.536
+ 1425TIP3   OH249076  -3.316   2.456   2.808
+ 1425TIP3    H149077  -3.337   2.408   2.889
+ 1425TIP3    H249078  -3.348   2.545   2.829
+ 1425TIP3   OH249079  -2.994   1.914   1.680
+ 1425TIP3    H149080  -2.906   1.896   1.718
+ 1425TIP3    H249081  -2.981   2.000   1.636
+ 1425TIP3   OH249082  -3.961   2.381   2.275
+ 1425TIP3    H149083  -3.909   2.368   2.194
+ 1425TIP3    H249084  -3.970   2.290   2.307
+ 1425TIP3   OH249085  -3.239   2.584   1.588
+ 1425TIP3    H149086  -3.263   2.667   1.633
+ 1425TIP3    H249087  -3.311   2.525   1.615
+ 1426TIP3   OH249088  -4.245   2.228   2.827
+ 1426TIP3    H149089  -4.237   2.168   2.902
+ 1426TIP3    H249090  -4.290   2.172   2.760
+ 1426TIP3   OH249091  -3.544   2.161   2.999
+ 1426TIP3    H149092  -3.568   2.142   2.907
+ 1426TIP3    H249093  -3.450   2.134   2.998
+ 1426TIP3   OH249094  -3.107   2.705   2.761
+ 1426TIP3    H149095  -3.197   2.725   2.792
+ 1426TIP3    H249096  -3.058   2.723   2.844
+ 1426TIP3   OH249097  -2.536   1.912   1.654
+ 1426TIP3    H149098  -2.590   1.891   1.576
+ 1426TIP3    H249099  -2.524   2.008   1.639
+ 1426TIP3   OH249100  -2.491   2.517   2.932
+ 1426TIP3    H149101  -2.585   2.539   2.916
+ 1426TIP3    H249102  -2.459   2.499   2.842
+ 1426TIP3   OH249103  -2.718   2.772   1.663
+ 1426TIP3    H149104  -2.733   2.691   1.713
+ 1426TIP3    H249105  -2.661   2.741   1.590
+ 1426TIP3   OH249106  -2.996   2.320   2.395
+ 1426TIP3    H149107  -3.088   2.290   2.384
+ 1426TIP3    H249108  -2.948   2.245   2.355
+ 1426TIP3   OH249109  -3.726   2.715   2.003
+ 1426TIP3    H149110  -3.688   2.803   1.992
+ 1426TIP3    H249111  -3.819   2.730   1.985
+ 1426TIP3   OH249112  -4.151   2.211   1.477
+ 1426TIP3    H149113  -4.081   2.267   1.514
+ 1426TIP3    H249114  -4.228   2.268   1.490
+ 1426TIP3   OH249115  -3.540   2.487   1.979
+ 1426TIP3    H149116  -3.581   2.575   1.982
+ 1426TIP3    H249117  -3.614   2.430   2.007
+ 1427TIP3   OH249118  -3.520   2.906   2.597
+ 1427TIP3    H149119  -3.473   2.988   2.577
+ 1427TIP3    H249120  -3.468   2.870   2.671
+ 1427TIP3   OH249121  -3.678   3.009   1.922
+ 1427TIP3    H149122  -3.774   3.014   1.935
+ 1427TIP3    H249123  -3.649   3.098   1.951
+ 1427TIP3   OH249124  -2.968   2.619   1.453
+ 1427TIP3    H149125  -2.926   2.571   1.526
+ 1427TIP3    H249126  -3.061   2.600   1.474
+ 1427TIP3   OH249127  -2.892   2.938   2.792
+ 1427TIP3    H149128  -2.972   2.903   2.749
+ 1427TIP3    H249129  -2.878   3.023   2.745
+ 1427TIP3   OH249130  -2.505   3.049   1.514
+ 1427TIP3    H149131  -2.432   3.106   1.485
+ 1427TIP3    H249132  -2.579   3.111   1.499
+ 1427TIP3   OH249133  -4.105   1.676   2.764
+ 1427TIP3    H149134  -4.188   1.723   2.781
+ 1427TIP3    H249135  -4.118   1.592   2.812
+ 1427TIP3   OH249136  -2.872   2.481   1.696
+ 1427TIP3    H149137  -2.898   2.403   1.748
+ 1427TIP3    H249138  -2.775   2.473   1.696
+ 1427TIP3   OH249139  -4.123   2.857   2.610
+ 1427TIP3    H149140  -4.111   2.762   2.623
+ 1427TIP3    H249141  -4.099   2.891   2.697
+ 1427TIP3   OH249142  -3.543   2.722   1.311
+ 1427TIP3    H149143  -3.515   2.644   1.258
+ 1427TIP3    H249144  -3.589   2.678   1.384
+ 1427TIP3   OH249145  -3.661   2.673   1.578
+ 1427TIP3    H149146  -3.614   2.616   1.641
+ 1427TIP3    H249147  -3.648   2.763   1.615
+ 1428TIP3   OH249148  -3.986   2.412   1.614
+ 1428TIP3    H149149  -4.057   2.453   1.670
+ 1428TIP3    H249150  -3.937   2.493   1.590
+ 1428TIP3   OH249151  -3.214   1.665   2.621
+ 1428TIP3    H149152  -3.148   1.690   2.688
+ 1428TIP3    H249153  -3.258   1.588   2.662
+ 1428TIP3   OH249154  -3.147   1.607   1.747
+ 1428TIP3    H149155  -3.128   1.659   1.668
+ 1428TIP3    H249156  -3.101   1.658   1.816
+ 1428TIP3   OH249157  -3.358   2.864   1.654
+ 1428TIP3    H149158  -3.453   2.885   1.654
+ 1428TIP3    H249159  -3.335   2.876   1.560
+ 1428TIP3   OH249160  -3.406   1.803   1.840
+ 1428TIP3    H149161  -3.332   1.864   1.855
+ 1428TIP3    H249162  -3.441   1.791   1.931
+ 1428TIP3   OH249163  -3.370   1.900   2.757
+ 1428TIP3    H149164  -3.358   1.949   2.841
+ 1428TIP3    H249165  -3.313   1.823   2.773
+ 1428TIP3   OH249166  -3.346   1.508   1.938
+ 1428TIP3    H149167  -3.368   1.580   2.001
+ 1428TIP3    H249168  -3.275   1.550   1.885
+ 1428TIP3   OH249169  -3.639   2.942   1.643
+ 1428TIP3    H149170  -3.657   3.019   1.586
+ 1428TIP3    H249171  -3.662   2.976   1.732
+ 1428TIP3   OH249172  -3.776   1.618   1.602
+ 1428TIP3    H149173  -3.768   1.701   1.654
+ 1428TIP3    H249174  -3.692   1.574   1.626
+ 1428TIP3   OH249175  -2.742   1.700   2.846
+ 1428TIP3    H149176  -2.838   1.710   2.831
+ 1428TIP3    H249177  -2.714   1.677   2.756
+ 1429TIP3   OH249178  -2.892   2.086   2.252
+ 1429TIP3    H149179  -2.973   2.039   2.223
+ 1429TIP3    H249180  -2.842   2.015   2.297
+ 1429TIP3   OH249181  -3.930   2.700   1.496
+ 1429TIP3    H149182  -3.851   2.740   1.536
+ 1429TIP3    H249183  -3.888   2.643   1.431
+ 1429TIP3   OH249184  -4.108   1.915   1.409
+ 1429TIP3    H149185  -4.110   2.009   1.434
+ 1429TIP3    H249186  -4.194   1.899   1.369
+ 1429TIP3   OH249187  -2.791   2.967   2.386
+ 1429TIP3    H149188  -2.802   3.050   2.336
+ 1429TIP3    H249189  -2.698   2.977   2.413
+ 1429TIP3   OH249190  -4.031   1.414   2.285
+ 1429TIP3    H149191  -4.059   1.409   2.191
+ 1429TIP3    H249192  -4.073   1.334   2.322
+ 1429TIP3   OH249193  -4.133   2.781   1.913
+ 1429TIP3    H149194  -4.226   2.807   1.921
+ 1429TIP3    H249195  -4.109   2.817   1.827
+ 1429TIP3   OH249196  -4.213   3.056   3.031
+ 1429TIP3    H149197  -4.152   3.050   3.106
+ 1429TIP3    H249198  -4.228   2.961   3.017
+ 1429TIP3   OH249199  -3.725   2.967   3.204
+ 1429TIP3    H149200  -3.658   2.901   3.229
+ 1429TIP3    H249201  -3.750   2.937   3.116
+ 1429TIP3   OH249202  -3.323   2.887   1.372
+ 1429TIP3    H149203  -3.398   2.828   1.348
+ 1429TIP3    H249204  -3.251   2.841   1.325
+ 1429TIP3   OH249205  -3.075   2.787   3.060
+ 1429TIP3    H149206  -3.117   2.711   3.104
+ 1429TIP3    H249207  -3.010   2.815   3.127
+ 1430TIP3   OH249208  -2.860   2.886   1.373
+ 1430TIP3    H149209  -2.847   2.802   1.420
+ 1430TIP3    H249210  -2.783   2.889   1.314
+ 1430TIP3   OH249211  -4.204   2.452   3.095
+ 1430TIP3    H149212  -4.194   2.368   3.049
+ 1430TIP3    H249213  -4.288   2.486   3.059
+ 1430TIP3   OH249214  -3.780   2.465   1.344
+ 1430TIP3    H149215  -3.763   2.404   1.417
+ 1430TIP3    H249216  -3.696   2.459   1.295
+ 1430TIP3   OH249217  -3.534   2.442   3.070
+ 1430TIP3    H149218  -3.569   2.474   2.985
+ 1430TIP3    H249219  -3.529   2.346   3.057
+ 1430TIP3   OH249220  -3.256   2.596   1.303
+ 1430TIP3    H149221  -3.260   2.591   1.400
+ 1430TIP3    H249222  -3.260   2.501   1.281
+ 1430TIP3   OH249223  -3.007   2.401   2.790
+ 1430TIP3    H149224  -2.928   2.457   2.787
+ 1430TIP3    H249225  -3.079   2.463   2.807
+ 1430TIP3   OH249226  -4.135   2.126   3.067
+ 1430TIP3    H149227  -4.058   2.066   3.062
+ 1430TIP3    H249228  -4.126   2.160   3.158
+ 1430TIP3   OH249229  -3.672   2.272   1.577
+ 1430TIP3    H149230  -3.732   2.222   1.635
+ 1430TIP3    H249231  -3.644   2.203   1.514
+ 1430TIP3   OH249232  -3.734   2.021   2.786
+ 1430TIP3    H149233  -3.792   2.090   2.825
+ 1430TIP3    H249234  -3.676   2.075   2.729
+ 1430TIP3   OH249235  -3.576   2.076   1.401
+ 1430TIP3    H149236  -3.579   2.082   1.304
+ 1430TIP3    H249237  -3.480   2.069   1.416
+ 1431TIP3   OH249238  -3.220   2.317   3.151
+ 1431TIP3    H149239  -3.127   2.300   3.130
+ 1431TIP3    H249240  -3.242   2.237   3.201
+ 1431TIP3   OH249241  -2.628   2.324   1.334
+ 1431TIP3    H149242  -2.633   2.281   1.248
+ 1431TIP3    H249243  -2.631   2.418   1.308
+ 1431TIP3   OH249244  -3.506   2.172   2.704
+ 1431TIP3    H149245  -3.423   2.156   2.656
+ 1431TIP3    H249246  -3.535   2.257   2.667
+ 1431TIP3   OH249247  -3.043   1.962   3.176
+ 1431TIP3    H149248  -3.022   1.869   3.195
+ 1431TIP3    H249249  -2.954   2.000   3.178
+ 1431TIP3   OH249250  -2.950   2.245   3.019
+ 1431TIP3    H149251  -2.980   2.306   2.949
+ 1431TIP3    H249252  -2.858   2.228   2.989
+ 1431TIP3   OH249253  -3.863   1.951   3.058
+ 1431TIP3    H149254  -3.916   1.873   3.081
+ 1431TIP3    H249255  -3.772   1.919   3.059
+ 1431TIP3   OH249256  -3.604   1.403   2.697
+ 1431TIP3    H149257  -3.609   1.489   2.653
+ 1431TIP3    H249258  -3.663   1.349   2.641
+ 1431TIP3   OH249259  -3.474   1.815   3.064
+ 1431TIP3    H149260  -3.489   1.789   3.157
+ 1431TIP3    H249261  -3.555   1.783   3.024
+ 1431TIP3   OH249262  -3.209   1.720   2.964
+ 1431TIP3    H149263  -3.297   1.718   3.005
+ 1431TIP3    H249264  -3.158   1.658   3.021
+ 1431TIP3   OH249265  -3.031   1.568   3.128
+ 1431TIP3    H149266  -3.035   1.472   3.147
+ 1431TIP3    H249267  -3.037   1.609   3.216
+ 1432TIP3   OH249268  -4.008   1.703   3.072
+ 1432TIP3    H149269  -4.025   1.625   3.016
+ 1432TIP3    H249270  -4.027   1.666   3.160
+ 1432TIP3   OH249271  -3.600   1.309   2.974
+ 1432TIP3    H149272  -3.543   1.230   2.978
+ 1432TIP3    H249273  -3.603   1.326   2.878
+ 1432TIP3   OH249274  -3.503   1.497   3.154
+ 1432TIP3    H149275  -3.535   1.432   3.088
+ 1432TIP3    H249276  -3.580   1.551   3.171
+ 1432TIP3   OH249277  -3.601   3.211   1.516
+ 1432TIP3    H149278  -3.505   3.208   1.517
+ 1432TIP3    H249279  -3.618   3.241   1.426
+ 1432TIP3   OH249280  -4.198   2.688   1.418
+ 1432TIP3    H149281  -4.123   2.680   1.480
+ 1432TIP3    H249282  -4.220   2.595   1.399
+ 1432TIP3   OH249283  -4.273   2.966   2.133
+ 1432TIP3    H149284  -4.277   2.877   2.173
+ 1432TIP3    H249285  -4.244   3.016   2.211
+ 1432TIP3   OH249286  -2.517   3.085   2.438
+ 1432TIP3    H149287  -2.499   3.083   2.533
+ 1432TIP3    H249288  -2.431   3.113   2.403
+ 1432TIP3   OH249289  -2.528   3.029   2.724
+ 1432TIP3    H149290  -2.574   2.952   2.688
+ 1432TIP3    H249291  -2.470   2.986   2.789
+ 1432TIP3   OH249292  -2.727   2.573   3.149
+ 1432TIP3    H149293  -2.813   2.575   3.195
+ 1432TIP3    H249294  -2.681   2.650   3.186
+ 1432TIP3   OH249295  -2.589   2.465   1.730
+ 1432TIP3    H149296  -2.497   2.497   1.742
+ 1432TIP3    H249297  -2.593   2.398   1.801
+ 1433TIP3   OH249298  -2.543   2.263   1.927
+ 1433TIP3    H149299  -2.606   2.201   1.969
+ 1433TIP3    H249300  -2.471   2.269   1.992
+ 1433TIP3   OH249301  -2.578   2.517   2.414
+ 1433TIP3    H149302  -2.514   2.460   2.368
+ 1433TIP3    H249303  -2.542   2.605   2.393
+ 1433TIP3   OH249304  -2.693   2.801   2.645
+ 1433TIP3    H149305  -2.763   2.841   2.700
+ 1433TIP3    H249306  -2.744   2.760   2.573
+ 1433TIP3   OH249307  -2.519   2.200   1.585
+ 1433TIP3    H149308  -2.566   2.230   1.505
+ 1433TIP3    H249309  -2.525   2.279   1.641
+ 1433TIP3   OH249310  -2.691   1.961   1.409
+ 1433TIP3    H149311  -2.659   2.017   1.337
+ 1433TIP3    H249312  -2.712   1.877   1.363
+ 1433TIP3   OH249313  -2.750   2.072   2.007
+ 1433TIP3    H149314  -2.753   1.976   1.991
+ 1433TIP3    H249315  -2.786   2.079   2.097
+ 1433TIP3   OH249316  -4.259   2.322   2.402
+ 1433TIP3    H149317  -4.228   2.336   2.311
+ 1433TIP3    H249318  -4.177   2.287   2.444
+ 1433TIP3   OH249319  -2.687   2.267   2.917
+ 1433TIP3    H149320  -2.619   2.199   2.938
+ 1433TIP3    H249321  -2.633   2.347   2.910
+ 1433TIP3   OH249322  -2.529   2.078   3.036
+ 1433TIP3    H149323  -2.610   2.023   3.027
+ 1433TIP3    H249324  -2.460   2.009   3.039
+ 1433TIP3   OH249325  -2.742   1.695   1.333
+ 1433TIP3    H149326  -2.681   1.643   1.388
+ 1433TIP3    H249327  -2.820   1.638   1.325
+ 1434TIP3   OH249328  -2.760   1.821   1.826
+ 1434TIP3    H149329  -2.735   1.726   1.830
+ 1434TIP3    H249330  -2.680   1.857   1.784
+ 1434TIP3   OH249331  -2.737   1.886   2.367
+ 1434TIP3    H149332  -2.639   1.893   2.364
+ 1434TIP3    H249333  -2.750   1.885   2.464
+ 1434TIP3   OH249334  -2.721   1.951   2.648
+ 1434TIP3    H149335  -2.806   1.991   2.677
+ 1434TIP3    H249336  -2.667   2.030   2.629
+ 1434TIP3   OH249337  -4.284   1.804   2.986
+ 1434TIP3    H149338  -4.199   1.777   3.024
+ 1434TIP3    H249339  -4.348   1.745   3.028
+ 1434TIP3   OH249340  -2.460   1.364   3.178
+ 1434TIP3    H149341  -2.424   1.297   3.117
+ 1434TIP3    H249342  -2.462   1.444   3.122
+ 1434TIP3   OH249343  -2.713   1.543   1.822
+ 1434TIP3    H149344  -2.699   1.508   1.912
+ 1434TIP3    H249345  -2.792   1.492   1.794
+ 1434TIP3   OH249346  -4.164   1.679   2.333
+ 1434TIP3    H149347  -4.120   1.594   2.318
+ 1434TIP3    H249348  -4.095   1.745   2.314
+ 1434TIP3   OH249349  -4.308   1.951   2.384
+ 1434TIP3    H149350  -4.253   1.904   2.320
+ 1434TIP3    H249351  -4.270   2.039   2.379
+ 1434TIP3   OH249352  -2.526   1.570   3.004
+ 1434TIP3    H149353  -2.613   1.613   3.016
+ 1434TIP3    H249354  -2.543   1.518   2.924
+ 1434TIP3   OH249355  -2.516   1.589   1.488
+ 1434TIP3    H149356  -2.485   1.509   1.443
+ 1434TIP3    H249357  -2.434   1.641   1.497
+ 1435TIP3   OH249358  -4.318   1.544   1.769
+ 1435TIP3    H149359  -4.400   1.580   1.731
+ 1435TIP3    H249360  -4.255   1.609   1.729
+ 1435TIP3   OH249361  -2.825   3.097   2.013
+ 1435TIP3    H149362  -2.771   3.066   1.938
+ 1435TIP3    H249363  -2.757   3.132   2.072
+ 1435TIP3   OH249364  -4.290   1.439   2.597
+ 1435TIP3    H149365  -4.358   1.430   2.668
+ 1435TIP3    H249366  -4.334   1.487   2.526
+ 1435TIP3   OH249367  -4.115   2.791   3.067
+ 1435TIP3    H149368  -4.176   2.735   3.018
+ 1435TIP3    H249369  -4.132   2.760   3.159
+ 1435TIP3   OH249370  -3.800   2.859   2.658
+ 1435TIP3    H149371  -3.837   2.941   2.622
+ 1435TIP3    H249372  -3.706   2.871   2.638
+ 1435TIP3   OH249373  -3.348   2.984   2.957
+ 1435TIP3    H149374  -3.340   2.973   3.053
+ 1435TIP3    H249375  -3.266   3.033   2.936
+ 1435TIP3   OH249376  -3.120   3.126   2.876
+ 1435TIP3    H149377  -3.047   3.063   2.867
+ 1435TIP3    H249378  -3.095   3.171   2.959
+ 1435TIP3   OH249379  -2.639   1.396   2.800
+ 1435TIP3    H149380  -2.720   1.415   2.751
+ 1435TIP3    H249381  -2.618   1.305   2.768
+ 1435TIP3   OH249382  -4.069   3.164   2.683
+ 1435TIP3    H149383  -4.137   3.215   2.635
+ 1435TIP3    H249384  -4.099   3.174   2.774
+ 1435TIP3   OH249385  -3.817   3.132   2.546
+ 1435TIP3    H149386  -3.904   3.148   2.588
+ 1435TIP3    H249387  -3.816   3.200   2.477
+ 1436TIP3   OH249388  -3.335   3.131   2.501
+ 1436TIP3    H149389  -3.380   3.177   2.428
+ 1436TIP3    H249390  -3.328   3.203   2.567
+ 1436TIP3   OH249391  -3.107   2.972   2.568
+ 1436TIP3    H149392  -3.191   3.021   2.557
+ 1436TIP3    H249393  -3.045   3.046   2.578
+ 1436TIP3   OH249394  -2.864   3.169   2.609
+ 1436TIP3    H149395  -2.868   3.266   2.596
+ 1436TIP3    H249396  -2.825   3.142   2.525
+ 1436TIP3   OH249397  -4.124   3.043   2.382
+ 1436TIP3    H149398  -4.135   2.995   2.467
+ 1436TIP3    H249399  -4.052   2.992   2.342
+ 1436TIP3   OH249400  -3.909   2.912   2.228
+ 1436TIP3    H149401  -3.929   2.821   2.258
+ 1436TIP3    H249402  -3.822   2.928   2.268
+ 1436TIP3   OH249403  -3.625   2.956   2.315
+ 1436TIP3    H149404  -3.615   2.862   2.295
+ 1436TIP3    H249405  -3.625   2.954   2.412
+ 1436TIP3   OH249406  -3.298   1.546   2.249
+ 1436TIP3    H149407  -3.367   1.477   2.262
+ 1436TIP3    H249408  -3.239   1.502   2.187
+ 1436TIP3   OH249409  -2.802   1.348   2.296
+ 1436TIP3    H149410  -2.725   1.390   2.253
+ 1436TIP3    H249411  -2.876   1.375   2.238
+ 1436TIP3   OH249412  -2.595   1.457   2.080
+ 1436TIP3    H149413  -2.523   1.413   2.031
+ 1436TIP3    H249414  -2.560   1.548   2.089
+ 1436TIP3   OH249415  -4.111   1.399   2.007
+ 1436TIP3    H149416  -4.176   1.376   1.939
+ 1436TIP3    H249417  -4.043   1.331   1.991
+ 1437TIP3   OH249418  -4.180   1.363   1.584
+ 1437TIP3    H149419  -4.130   1.430   1.533
+ 1437TIP3    H249420  -4.235   1.421   1.641
+ 1437TIP3   OH249421  -3.612   1.390   1.992
+ 1437TIP3    H149422  -3.524   1.429   1.977
+ 1437TIP3    H249423  -3.616   1.390   2.088
+ 1437TIP3   OH249424  -3.055   1.403   2.133
+ 1437TIP3    H149425  -3.029   1.387   2.041
+ 1437TIP3    H249426  -3.093   1.317   2.158
+ 1437TIP3   OH249427  -2.945   1.403   1.733
+ 1437TIP3    H149428  -3.027   1.452   1.717
+ 1437TIP3    H249429  -2.979   1.312   1.745
+ 1437TIP3   OH249430  -4.185   2.966   1.685
+ 1437TIP3    H149431  -4.251   2.945   1.618
+ 1437TIP3    H249432  -4.185   3.062   1.684
+ 1437TIP3   OH249433  -4.003   1.549   1.439
+ 1437TIP3    H149434  -3.943   1.495   1.386
+ 1437TIP3    H249435  -3.943   1.582   1.508
+ 1437TIP3   OH249436  -3.499   1.567   1.696
+ 1437TIP3    H149437  -3.467   1.507   1.765
+ 1437TIP3    H249438  -3.475   1.653   1.736
+ 1437TIP3   OH249439  -3.273   3.170   1.540
+ 1437TIP3    H149440  -3.183   3.134   1.523
+ 1437TIP3    H249441  -3.324   3.101   1.496
+ 1437TIP3   OH249442  -2.655   3.044   1.781
+ 1437TIP3    H149443  -2.668   2.958   1.737
+ 1437TIP3    H249444  -2.628   3.099   1.705
+ 1437TIP3   OH249445  -4.077   1.446   2.960
+ 1437TIP3    H149446  -4.127   1.369   2.992
+ 1437TIP3    H249447  -3.987   1.421   2.989
+ 1438TIP3   OH249448  -3.843   1.378   3.127
+ 1438TIP3    H149449  -3.762   1.339   3.088
+ 1438TIP3    H249450  -3.877   1.301   3.176
+ 1438TIP3   OH249451  -4.010   3.067   1.385
+ 1438TIP3    H149452  -4.043   3.082   1.475
+ 1438TIP3    H249453  -3.944   2.996   1.400
+ 1438TIP3   OH249454  -3.030   1.288   3.147
+ 1438TIP3    H149455  -3.027   1.246   3.235
+ 1438TIP3    H249456  -2.936   1.284   3.121
+ 1438TIP3   OH249457  -2.692   2.924   3.013
+ 1438TIP3    H149458  -2.770   2.904   2.958
+ 1438TIP3    H249459  -2.711   3.017   3.037
+ 1438TIP3   OH249460  -1.378   2.230   2.328
+ 1438TIP3    H149461  -1.389   2.180   2.410
+ 1438TIP3    H249462  -1.420   2.170   2.264
+ 1438TIP3   OH249463  -2.145   2.194   2.505
+ 1438TIP3    H149464  -2.144   2.118   2.567
+ 1438TIP3    H249465  -2.071   2.246   2.539
+ 1438TIP3   OH249466  -1.005   2.510   2.171
+ 1438TIP3    H149467  -1.058   2.442   2.214
+ 1438TIP3    H249468  -0.995   2.575   2.242
+ 1438TIP3   OH249469  -2.078   2.656   2.355
+ 1438TIP3    H149470  -2.099   2.564   2.328
+ 1438TIP3    H249471  -1.984   2.646   2.374
+ 1438TIP3   OH249472  -2.378   1.996   1.893
+ 1438TIP3    H149473  -2.417   2.084   1.899
+ 1438TIP3    H249474  -2.448   1.946   1.849
+ 1438TIP3   OH249475  -2.298   2.242   2.077
+ 1438TIP3    H149476  -2.281   2.159   2.126
+ 1438TIP3    H249477  -2.213   2.255   2.033
+ 1439TIP3   OH249478  -1.308   3.048   2.230
+ 1439TIP3    H149479  -1.259   2.974   2.190
+ 1439TIP3    H249480  -1.344   3.006   2.309
+ 1439TIP3   OH249481  -1.542   2.483   2.398
+ 1439TIP3    H149482  -1.510   2.422   2.329
+ 1439TIP3    H249483  -1.459   2.499   2.445
+ 1439TIP3   OH249484  -0.665   1.648   2.477
+ 1439TIP3    H149485  -0.663   1.736   2.517
+ 1439TIP3    H249486  -0.609   1.665   2.399
+ 1439TIP3   OH249487  -1.212   1.918   2.443
+ 1439TIP3    H149488  -1.199   1.821   2.443
+ 1439TIP3    H249489  -1.217   1.936   2.348
+ 1439TIP3   OH249490  -1.914   1.719   2.152
+ 1439TIP3    H149491  -1.899   1.804   2.107
+ 1439TIP3    H249492  -1.949   1.666   2.078
+ 1439TIP3   OH249493  -1.130   1.737   1.985
+ 1439TIP3    H149494  -1.068   1.695   2.048
+ 1439TIP3    H249495  -1.068   1.780   1.924
+ 1439TIP3   OH249496  -2.246   1.992   2.203
+ 1439TIP3    H149497  -2.181   1.946   2.259
+ 1439TIP3    H249498  -2.236   1.944   2.119
+ 1439TIP3   OH249499  -1.710   2.131   2.153
+ 1439TIP3    H149500  -1.637   2.076   2.188
+ 1439TIP3    H249501  -1.758   2.066   2.098
+ 1439TIP3   OH249502  -2.033   1.599   2.569
+ 1439TIP3    H149503  -2.074   1.648   2.496
+ 1439TIP3    H249504  -2.100   1.613   2.639
+ 1439TIP3   OH249505  -1.739   2.387   2.583
+ 1439TIP3    H149506  -1.813   2.448   2.605
+ 1439TIP3    H249507  -1.677   2.446   2.535
+ 1440TIP3   OH249508  -0.946   1.660   2.190
+ 1440TIP3    H149509  -0.986   1.602   2.256
+ 1440TIP3    H249510  -0.895   1.722   2.244
+ 1440TIP3   OH249511  -2.074   1.804   2.362
+ 1440TIP3    H149512  -2.009   1.861   2.408
+ 1440TIP3    H249513  -2.017   1.767   2.290
+ 1440TIP3   OH249514  -1.942   2.574   2.653
+ 1440TIP3    H149515  -1.945   2.666   2.621
+ 1440TIP3    H249516  -2.028   2.569   2.698
+ 1440TIP3   OH249517  -2.314   2.545   1.742
+ 1440TIP3    H149518  -2.326   2.595   1.658
+ 1440TIP3    H249519  -2.293   2.615   1.807
+ 1440TIP3   OH249520  -0.965   2.692   2.426
+ 1440TIP3    H149521  -1.062   2.701   2.422
+ 1440TIP3    H249522  -0.937   2.774   2.382
+ 1440TIP3   OH249523  -0.932   1.568   2.578
+ 1440TIP3    H149524  -1.008   1.612   2.535
+ 1440TIP3    H249525  -0.859   1.595   2.519
+ 1440TIP3   OH249526  -1.616   1.347   2.282
+ 1440TIP3    H149527  -1.644   1.254   2.273
+ 1440TIP3    H249528  -1.700   1.389   2.311
+ 1440TIP3   OH249529  -1.131   2.876   2.084
+ 1440TIP3    H149530  -1.089   2.798   2.044
+ 1440TIP3    H249531  -1.072   2.948   2.054
+ 1440TIP3   OH249532  -0.991   2.659   1.922
+ 1440TIP3    H149533  -1.054   2.609   1.865
+ 1440TIP3    H249534  -0.988   2.599   1.998
+ 1440TIP3   OH249535  -0.835   2.550   2.786
+ 1440TIP3    H149536  -0.847   2.487   2.712
+ 1440TIP3    H249537  -0.824   2.634   2.738
+ 1441TIP3   OH249538  -1.399   2.022   1.487
+ 1441TIP3    H149539  -1.333   2.083   1.523
+ 1441TIP3    H249540  -1.369   2.006   1.398
+ 1441TIP3   OH249541  -0.659   2.169   2.580
+ 1441TIP3    H149542  -0.733   2.231   2.586
+ 1441TIP3    H249543  -0.611   2.205   2.503
+ 1441TIP3   OH249544  -1.065   2.083   2.745
+ 1441TIP3    H149545  -1.066   2.162   2.801
+ 1441TIP3    H249546  -1.127   2.112   2.676
+ 1441TIP3   OH249547  -1.907   2.315   2.043
+ 1441TIP3    H149548  -1.929   2.274   1.957
+ 1441TIP3    H249549  -1.834   2.260   2.074
+ 1441TIP3   OH249550  -1.766   2.657   2.316
+ 1441TIP3    H149551  -1.772   2.625   2.225
+ 1441TIP3    H249552  -1.684   2.613   2.347
+ 1441TIP3   OH249553  -1.842   2.200   2.393
+ 1441TIP3    H149554  -1.787   2.201   2.312
+ 1441TIP3    H249555  -1.799   2.268   2.448
+ 1441TIP3   OH249556  -1.249   2.754   2.450
+ 1441TIP3    H149557  -1.243   2.818   2.523
+ 1441TIP3    H249558  -1.269   2.670   2.494
+ 1441TIP3   OH249559  -1.756   2.632   2.874
+ 1441TIP3    H149560  -1.808   2.699   2.922
+ 1441TIP3    H249561  -1.819   2.605   2.804
+ 1441TIP3   OH249562  -1.154   2.163   1.622
+ 1441TIP3    H149563  -1.144   2.226   1.696
+ 1441TIP3    H249564  -1.122   2.223   1.550
+ 1441TIP3   OH249565  -2.063   2.274   2.785
+ 1441TIP3    H149566  -2.058   2.329   2.865
+ 1441TIP3    H249567  -2.159   2.257   2.779
+ 1442TIP3   OH249568  -1.443   2.846   1.986
+ 1442TIP3    H149569  -1.359   2.861   2.031
+ 1442TIP3    H249570  -1.460   2.926   1.935
+ 1442TIP3   OH249571  -1.946   2.852   2.956
+ 1442TIP3    H149572  -1.957   2.854   2.860
+ 1442TIP3    H249573  -2.034   2.824   2.988
+ 1442TIP3   OH249574  -0.789   1.346   1.585
+ 1442TIP3    H149575  -0.885   1.354   1.598
+ 1442TIP3    H249576  -0.761   1.437   1.567
+ 1442TIP3   OH249577  -2.001   2.193   1.791
+ 1442TIP3    H149578  -2.019   2.269   1.733
+ 1442TIP3    H249579  -2.070   2.131   1.765
+ 1442TIP3   OH249580  -0.683   2.776   1.407
+ 1442TIP3    H149581  -0.668   2.868   1.437
+ 1442TIP3    H249582  -0.599   2.734   1.431
+ 1442TIP3   OH249583  -2.407   2.459   2.668
+ 1442TIP3    H149584  -2.439   2.453   2.576
+ 1442TIP3    H249585  -2.385   2.366   2.687
+ 1442TIP3   OH249586  -2.398   2.751   2.364
+ 1442TIP3    H149587  -2.305   2.723   2.362
+ 1442TIP3    H249588  -2.395   2.815   2.437
+ 1442TIP3   OH249589  -0.557   2.815   2.938
+ 1442TIP3    H149590  -0.567   2.720   2.918
+ 1442TIP3    H249591  -0.648   2.837   2.966
+ 1442TIP3   OH249592  -1.492   2.737   2.818
+ 1442TIP3    H149593  -1.486   2.820   2.869
+ 1442TIP3    H249594  -1.582   2.707   2.839
+ 1442TIP3   OH249595  -1.466   3.117   1.814
+ 1442TIP3    H149596  -1.463   3.123   1.717
+ 1442TIP3    H249597  -1.457   3.209   1.842
+ 1443TIP3   OH249598  -2.086   3.035   1.978
+ 1443TIP3    H149599  -2.066   2.989   2.062
+ 1443TIP3    H249600  -2.166   2.989   1.949
+ 1443TIP3   OH249601  -1.130   3.060   1.532
+ 1443TIP3    H149602  -1.080   2.991   1.486
+ 1443TIP3    H249603  -1.137   3.023   1.621
+ 1443TIP3   OH249604  -1.194   3.006   1.819
+ 1443TIP3    H149605  -1.291   3.014   1.825
+ 1443TIP3    H249606  -1.181   2.919   1.859
+ 1443TIP3   OH249607  -0.869   1.935   2.964
+ 1443TIP3    H149608  -0.923   2.004   2.921
+ 1443TIP3    H249609  -0.924   1.858   2.942
+ 1443TIP3   OH249610  -2.183   2.617   2.793
+ 1443TIP3    H149611  -2.153   2.569   2.874
+ 1443TIP3    H249612  -2.254   2.560   2.759
+ 1443TIP3   OH249613  -1.863   1.458   2.371
+ 1443TIP3    H149614  -1.943   1.456   2.316
+ 1443TIP3    H249615  -1.884   1.535   2.427
+ 1443TIP3   OH249616  -1.423   1.422   2.728
+ 1443TIP3    H149617  -1.372   1.372   2.795
+ 1443TIP3    H249618  -1.515   1.392   2.743
+ 1443TIP3   OH249619  -1.060   1.788   2.820
+ 1443TIP3    H149620  -1.140   1.760   2.868
+ 1443TIP3    H249621  -1.093   1.864   2.768
+ 1443TIP3   OH249622  -1.021   2.293   1.406
+ 1443TIP3    H149623  -1.029   2.254   1.318
+ 1443TIP3    H249624  -0.927   2.312   1.413
+ 1443TIP3   OH249625  -1.442   1.669   1.441
+ 1443TIP3    H149626  -1.491   1.669   1.524
+ 1443TIP3    H249627  -1.484   1.594   1.395
+ 1444TIP3   OH249628  -1.876   1.941   2.507
+ 1444TIP3    H149629  -1.932   1.954   2.586
+ 1444TIP3    H249630  -1.867   2.032   2.473
+ 1444TIP3   OH249631  -1.882   1.949   1.997
+ 1444TIP3    H149632  -1.977   1.938   1.979
+ 1444TIP3    H249633  -1.845   1.931   1.908
+ 1444TIP3   OH249634  -1.331   2.032   1.862
+ 1444TIP3    H149635  -1.362   2.119   1.832
+ 1444TIP3    H249636  -1.264   2.012   1.795
+ 1444TIP3   OH249637  -1.402   2.026   3.011
+ 1444TIP3    H149638  -1.453   1.951   3.046
+ 1444TIP3    H249639  -1.314   2.012   3.050
+ 1444TIP3   OH249640  -1.239   1.949   2.140
+ 1444TIP3    H149641  -1.266   2.006   2.065
+ 1444TIP3    H249642  -1.215   1.867   2.091
+ 1444TIP3   OH249643  -2.145   1.959   2.694
+ 1444TIP3    H149644  -2.112   1.988   2.780
+ 1444TIP3    H249645  -2.176   1.869   2.714
+ 1444TIP3   OH249646  -1.787   1.724   1.342
+ 1444TIP3    H149647  -1.819   1.684   1.426
+ 1444TIP3    H249648  -1.869   1.738   1.294
+ 1444TIP3   OH249649  -2.458   1.705   2.058
+ 1444TIP3    H149650  -2.396   1.702   2.132
+ 1444TIP3    H249651  -2.408   1.666   1.984
+ 1444TIP3   OH249652  -2.298   1.749   1.627
+ 1444TIP3    H149653  -2.242   1.796   1.561
+ 1444TIP3    H249654  -2.367   1.814   1.644
+ 1444TIP3   OH249655  -1.325   2.114   2.600
+ 1444TIP3    H149656  -1.282   2.043   2.547
+ 1444TIP3    H249657  -1.357   2.064   2.676
+ 1445TIP3   OH249658  -1.605   1.706   2.097
+ 1445TIP3    H149659  -1.699   1.701   2.118
+ 1445TIP3    H249660  -1.564   1.689   2.183
+ 1445TIP3   OH249661  -2.149   1.830   1.968
+ 1445TIP3    H149662  -2.230   1.856   1.920
+ 1445TIP3    H249663  -2.119   1.751   1.919
+ 1445TIP3   OH249664  -1.785   1.871   1.738
+ 1445TIP3    H149665  -1.687   1.873   1.739
+ 1445TIP3    H249666  -1.808   1.926   1.662
+ 1445TIP3   OH249667  -1.163   1.619   2.404
+ 1445TIP3    H149668  -1.227   1.623   2.478
+ 1445TIP3    H249669  -1.221   1.587   2.332
+ 1445TIP3   OH249670  -1.911   1.991   1.493
+ 1445TIP3    H149671  -1.982   1.962   1.433
+ 1445TIP3    H249672  -1.836   1.984   1.433
+ 1445TIP3   OH249673  -0.868   3.205   3.067
+ 1445TIP3    H149674  -0.838   3.243   2.982
+ 1445TIP3    H249675  -0.795   3.231   3.127
+ 1445TIP3   OH249676  -2.074   2.464   3.010
+ 1445TIP3    H149677  -2.007   2.472   3.081
+ 1445TIP3    H249678  -2.155   2.458   3.065
+ 1445TIP3   OH249679  -1.504   1.961   2.282
+ 1445TIP3    H149680  -1.429   1.923   2.233
+ 1445TIP3    H249681  -1.514   1.898   2.356
+ 1445TIP3   OH249682  -1.975   1.602   1.895
+ 1445TIP3    H149683  -2.026   1.521   1.912
+ 1445TIP3    H249684  -1.892   1.566   1.861
+ 1445TIP3   OH249685  -1.604   1.804   2.511
+ 1445TIP3    H149686  -1.680   1.865   2.504
+ 1445TIP3    H249687  -1.558   1.836   2.591
+ 1446TIP3   OH249688  -1.587   2.454   1.670
+ 1446TIP3    H149689  -1.648   2.380   1.659
+ 1446TIP3    H249690  -1.554   2.445   1.760
+ 1446TIP3   OH249691  -0.870   2.364   2.572
+ 1446TIP3    H149692  -0.820   2.418   2.507
+ 1446TIP3    H249693  -0.955   2.351   2.525
+ 1446TIP3   OH249694  -1.162   1.718   1.437
+ 1446TIP3    H149695  -1.259   1.710   1.429
+ 1446TIP3    H249696  -1.151   1.788   1.503
+ 1446TIP3   OH249697  -1.427   2.448   2.829
+ 1446TIP3    H149698  -1.459   2.417   2.915
+ 1446TIP3    H249699  -1.459   2.540   2.828
+ 1446TIP3   OH249700  -1.115   1.889   1.676
+ 1446TIP3    H149701  -1.027   1.888   1.718
+ 1446TIP3    H249702  -1.120   1.982   1.643
+ 1446TIP3   OH249703  -2.079   2.386   2.277
+ 1446TIP3    H149704  -2.023   2.376   2.198
+ 1446TIP3    H249705  -2.066   2.300   2.321
+ 1446TIP3   OH249706  -2.353   2.215   2.805
+ 1446TIP3    H149707  -2.336   2.173   2.891
+ 1446TIP3    H249708  -2.413   2.152   2.762
+ 1446TIP3   OH249709  -1.654   2.165   3.003
+ 1446TIP3    H149710  -1.690   2.140   2.916
+ 1446TIP3    H249711  -1.562   2.137   2.994
+ 1446TIP3   OH249712  -1.201   2.709   2.775
+ 1446TIP3    H149713  -1.297   2.715   2.768
+ 1446TIP3    H249714  -1.186   2.732   2.868
+ 1446TIP3   OH249715  -0.649   1.913   1.653
+ 1446TIP3    H149716  -0.702   1.893   1.574
+ 1446TIP3    H249717  -0.639   2.009   1.641
+ 1447TIP3   OH249718  -0.604   2.514   2.933
+ 1447TIP3    H149719  -0.697   2.535   2.912
+ 1447TIP3    H249720  -0.569   2.497   2.843
+ 1447TIP3   OH249721  -0.824   2.775   1.665
+ 1447TIP3    H149722  -0.858   2.703   1.719
+ 1447TIP3    H249723  -0.776   2.728   1.595
+ 1447TIP3   OH249724  -1.104   2.303   2.406
+ 1447TIP3    H149725  -1.196   2.290   2.376
+ 1447TIP3    H249726  -1.058   2.235   2.353
+ 1447TIP3   OH249727  -1.847   2.715   2.012
+ 1447TIP3    H149728  -1.793   2.794   1.992
+ 1447TIP3    H249729  -1.932   2.739   1.975
+ 1447TIP3   OH249730  -2.239   2.193   1.469
+ 1447TIP3    H149731  -2.181   2.262   1.505
+ 1447TIP3    H249732  -2.327   2.226   1.494
+ 1447TIP3   OH249733  -1.659   2.477   1.973
+ 1447TIP3    H149734  -1.676   2.572   1.973
+ 1447TIP3    H249735  -1.743   2.441   2.002
+ 1447TIP3   OH249736  -1.641   2.911   2.603
+ 1447TIP3    H149737  -1.585   2.984   2.572
+ 1447TIP3    H249738  -1.579   2.859   2.656
+ 1447TIP3   OH249739  -1.798   3.005   1.926
+ 1447TIP3    H149740  -1.893   3.023   1.932
+ 1447TIP3    H249741  -1.760   3.092   1.949
+ 1447TIP3   OH249742  -1.298   2.485   2.559
+ 1447TIP3    H149743  -1.327   2.455   2.647
+ 1447TIP3    H249744  -1.226   2.422   2.539
+ 1447TIP3   OH249745  -1.069   2.600   1.490
+ 1447TIP3    H149746  -1.039   2.561   1.574
+ 1447TIP3    H249747  -1.164   2.589   1.509
+ 1448TIP3   OH249748  -1.007   2.943   2.800
+ 1448TIP3    H149749  -1.082   2.896   2.758
+ 1448TIP3    H249750  -0.997   3.021   2.742
+ 1448TIP3   OH249751  -0.609   3.042   1.503
+ 1448TIP3    H149752  -0.539   3.106   1.482
+ 1448TIP3    H249753  -0.686   3.102   1.505
+ 1448TIP3   OH249754  -2.220   1.678   2.765
+ 1448TIP3    H149755  -2.312   1.704   2.742
+ 1448TIP3    H249756  -2.235   1.592   2.808
+ 1448TIP3   OH249757  -2.247   2.854   2.607
+ 1448TIP3    H149758  -2.214   2.764   2.621
+ 1448TIP3    H249759  -2.222   2.895   2.690
+ 1448TIP3   OH249760  -1.650   2.710   1.302
+ 1448TIP3    H149761  -1.612   2.636   1.253
+ 1448TIP3    H249762  -1.694   2.666   1.377
+ 1448TIP3   OH249763  -1.773   2.658   1.593
+ 1448TIP3    H149764  -1.708   2.605   1.645
+ 1448TIP3    H249765  -1.750   2.749   1.619
+ 1448TIP3   OH249766  -2.091   2.415   1.615
+ 1448TIP3    H149767  -2.161   2.455   1.670
+ 1448TIP3    H249768  -2.039   2.494   1.590
+ 1448TIP3   OH249769  -1.308   1.669   2.633
+ 1448TIP3    H149770  -1.256   1.678   2.714
+ 1448TIP3    H249771  -1.372   1.600   2.659
+ 1448TIP3   OH249772  -1.259   1.609   1.732
+ 1448TIP3    H149773  -1.245   1.669   1.657
+ 1448TIP3    H249774  -1.218   1.660   1.804
+ 1448TIP3   OH249775  -1.471   2.844   1.648
+ 1448TIP3    H149776  -1.561   2.879   1.651
+ 1448TIP3    H249777  -1.438   2.870   1.561
+ 1449TIP3   OH249778  -1.511   1.807   1.842
+ 1449TIP3    H149779  -1.442   1.876   1.852
+ 1449TIP3    H249780  -1.539   1.793   1.934
+ 1449TIP3   OH249781  -1.484   1.895   2.757
+ 1449TIP3    H149782  -1.480   1.950   2.837
+ 1449TIP3    H249783  -1.426   1.822   2.779
+ 1449TIP3   OH249784  -1.456   1.494   1.935
+ 1449TIP3    H149785  -1.479   1.569   1.992
+ 1449TIP3    H249786  -1.386   1.532   1.879
+ 1449TIP3   OH249787  -1.762   2.937   1.637
+ 1449TIP3    H149788  -1.764   3.020   1.587
+ 1449TIP3    H249789  -1.768   2.968   1.729
+ 1449TIP3   OH249790  -1.881   1.614   1.581
+ 1449TIP3    H149791  -1.887   1.687   1.644
+ 1449TIP3    H249792  -1.801   1.568   1.614
+ 1449TIP3   OH249793  -1.004   2.082   2.253
+ 1449TIP3    H149794  -1.081   2.039   2.213
+ 1449TIP3    H249795  -0.956   2.007   2.292
+ 1449TIP3   OH249796  -2.042   2.695   1.492
+ 1449TIP3    H149797  -1.970   2.744   1.535
+ 1449TIP3    H249798  -1.989   2.642   1.430
+ 1449TIP3   OH249799  -2.226   1.916   1.408
+ 1449TIP3    H149800  -2.217   2.011   1.430
+ 1449TIP3    H249801  -2.312   1.913   1.364
+ 1449TIP3   OH249802  -0.902   2.972   2.393
+ 1449TIP3    H149803  -0.920   3.050   2.337
+ 1449TIP3    H249804  -0.808   2.985   2.411
+ 1449TIP3   OH249805  -2.142   1.419   2.285
+ 1449TIP3    H149806  -2.155   1.415   2.188
+ 1449TIP3    H249807  -2.176   1.334   2.314
+ 1450TIP3   OH249808  -2.253   2.767   1.915
+ 1450TIP3    H149809  -2.331   2.822   1.933
+ 1450TIP3    H249810  -2.210   2.817   1.844
+ 1450TIP3   OH249811  -2.312   3.059   3.028
+ 1450TIP3    H149812  -2.253   3.031   3.101
+ 1450TIP3    H249813  -2.350   2.973   3.000
+ 1450TIP3   OH249814  -1.839   2.966   3.208
+ 1450TIP3    H149815  -1.772   2.898   3.227
+ 1450TIP3    H249816  -1.865   2.941   3.118
+ 1450TIP3   OH249817  -1.433   2.883   1.355
+ 1450TIP3    H149818  -1.508   2.822   1.343
+ 1450TIP3    H249819  -1.361   2.837   1.308
+ 1450TIP3   OH249820  -1.196   2.796   3.068
+ 1450TIP3    H149821  -1.234   2.712   3.102
+ 1450TIP3    H249822  -1.124   2.813   3.132
+ 1450TIP3   OH249823  -0.984   2.867   1.363
+ 1450TIP3    H149824  -0.965   2.795   1.424
+ 1450TIP3    H249825  -0.899   2.877   1.316
+ 1450TIP3   OH249826  -2.314   2.425   3.139
+ 1450TIP3    H149827  -2.306   2.332   3.111
+ 1450TIP3    H249828  -2.393   2.452   3.087
+ 1450TIP3   OH249829  -1.886   2.464   1.337
+ 1450TIP3    H149830  -1.864   2.404   1.412
+ 1450TIP3    H249831  -1.821   2.440   1.271
+ 1450TIP3   OH249832  -1.653   2.441   3.074
+ 1450TIP3    H149833  -1.683   2.474   2.988
+ 1450TIP3    H249834  -1.646   2.345   3.059
+ 1450TIP3   OH249835  -1.386   2.556   1.320
+ 1450TIP3    H149836  -1.390   2.580   1.414
+ 1450TIP3    H249837  -1.367   2.462   1.325
+ 1451TIP3   OH249838  -1.115   2.404   2.816
+ 1451TIP3    H149839  -1.039   2.458   2.791
+ 1451TIP3    H249840  -1.187   2.469   2.811
+ 1451TIP3   OH249841  -2.228   2.141   3.056
+ 1451TIP3    H149842  -2.161   2.072   3.057
+ 1451TIP3    H249843  -2.236   2.157   3.152
+ 1451TIP3   OH249844  -1.783   2.268   1.554
+ 1451TIP3    H149845  -1.837   2.224   1.622
+ 1451TIP3    H249846  -1.741   2.193   1.510
+ 1451TIP3   OH249847  -1.865   2.047   2.798
+ 1451TIP3    H149848  -1.917   2.126   2.822
+ 1451TIP3    H249849  -1.799   2.085   2.737
+ 1451TIP3   OH249850  -1.333   2.320   3.158
+ 1451TIP3    H149851  -1.244   2.301   3.126
+ 1451TIP3    H249852  -1.360   2.235   3.195
+ 1451TIP3   OH249853  -0.736   2.316   1.319
+ 1451TIP3    H149854  -0.787   2.296   1.240
+ 1451TIP3    H249855  -0.742   2.414   1.319
+ 1451TIP3   OH249856  -1.802   1.780   2.914
+ 1451TIP3    H149857  -1.798   1.713   2.844
+ 1451TIP3    H249858  -1.826   1.860   2.864
+ 1451TIP3   OH249859  -1.771   1.622   2.659
+ 1451TIP3    H149860  -1.719   1.678   2.598
+ 1451TIP3    H249861  -1.862   1.628   2.625
+ 1451TIP3   OH249862  -1.615   2.169   2.700
+ 1451TIP3    H149863  -1.531   2.162   2.652
+ 1451TIP3    H249864  -1.647   2.256   2.670
+ 1451TIP3   OH249865  -1.158   1.962   3.174
+ 1451TIP3    H149866  -1.139   1.870   3.198
+ 1451TIP3    H249867  -1.069   2.002   3.179
+ 1452TIP3   OH249868  -1.057   2.235   3.020
+ 1452TIP3    H149869  -1.095   2.297   2.955
+ 1452TIP3    H249870  -0.965   2.231   2.988
+ 1452TIP3   OH249871  -1.979   1.965   3.092
+ 1452TIP3    H149872  -2.038   1.888   3.099
+ 1452TIP3    H249873  -1.902   1.926   3.048
+ 1452TIP3   OH249874  -1.699   1.355   2.694
+ 1452TIP3    H149875  -1.714   1.451   2.679
+ 1452TIP3    H249876  -1.771   1.317   2.641
+ 1452TIP3   OH249877  -1.569   1.812   3.073
+ 1452TIP3    H149878  -1.605   1.792   3.161
+ 1452TIP3    H249879  -1.649   1.795   3.019
+ 1452TIP3   OH249880  -1.313   1.716   2.951
+ 1452TIP3    H149881  -1.401   1.728   2.992
+ 1452TIP3    H249882  -1.269   1.659   3.017
+ 1452TIP3   OH249883  -1.132   1.571   3.133
+ 1452TIP3    H149884  -1.148   1.475   3.148
+ 1452TIP3    H249885  -1.152   1.611   3.219
+ 1452TIP3   OH249886  -2.115   1.707   3.079
+ 1452TIP3    H149887  -2.127   1.637   3.012
+ 1452TIP3    H249888  -2.139   1.660   3.161
+ 1452TIP3   OH249889  -1.716   1.306   2.977
+ 1452TIP3    H149890  -1.656   1.230   2.983
+ 1452TIP3    H249891  -1.718   1.322   2.881
+ 1452TIP3   OH249892  -1.621   1.492   3.161
+ 1452TIP3    H149893  -1.656   1.434   3.091
+ 1452TIP3    H249894  -1.689   1.562   3.166
+ 1452TIP3   OH249895  -1.714   3.193   1.507
+ 1452TIP3    H149896  -1.620   3.204   1.523
+ 1452TIP3    H249897  -1.724   3.245   1.426
+ 1453TIP3   OH249898  -2.322   2.636   1.467
+ 1453TIP3    H149899  -2.226   2.654   1.476
+ 1453TIP3    H249900  -2.321   2.560   1.406
+ 1453TIP3   OH249901  -2.425   3.157   1.942
+ 1453TIP3    H149902  -2.496   3.118   1.888
+ 1453TIP3    H249903  -2.411   3.088   2.010
+ 1453TIP3   OH249904  -2.388   2.959   2.138
+ 1453TIP3    H149905  -2.412   2.870   2.169
+ 1453TIP3    H249906  -2.347   2.993   2.219
+ 1453TIP3   OH249907  -0.630   3.088   2.438
+ 1453TIP3    H149908  -0.612   3.081   2.533
+ 1453TIP3    H249909  -0.544   3.113   2.403
+ 1453TIP3   OH249910  -0.641   3.030   2.727
+ 1453TIP3    H149911  -0.692   2.955   2.690
+ 1453TIP3    H249912  -0.584   2.983   2.789
+ 1453TIP3   OH249913  -0.840   2.569   3.157
+ 1453TIP3    H149914  -0.929   2.579   3.195
+ 1453TIP3    H249915  -0.795   2.650   3.185
+ 1453TIP3   OH249916  -0.716   2.466   1.707
+ 1453TIP3    H149917  -0.633   2.494   1.748
+ 1453TIP3    H249918  -0.757   2.415   1.779
+ 1453TIP3   OH249919  -0.653   2.249   1.923
+ 1453TIP3    H149920  -0.731   2.205   1.961
+ 1453TIP3    H249921  -0.593   2.262   1.998
+ 1453TIP3   OH249922  -0.679   2.508   2.427
+ 1453TIP3    H149923  -0.622   2.458   2.366
+ 1453TIP3    H249924  -0.671   2.599   2.392
+ 1453TIP3   OH249925  -0.810   2.800   2.649
+ 1453TIP3    H149926  -0.885   2.839   2.697
+ 1453TIP3    H249927  -0.855   2.764   2.569
+ 1454TIP3   OH249928  -0.627   2.206   1.588
+ 1454TIP3    H149929  -0.682   2.230   1.512
+ 1454TIP3    H249930  -0.647   2.278   1.650
+ 1454TIP3   OH249931  -0.781   1.957   1.399
+ 1454TIP3    H149932  -0.791   2.010   1.319
+ 1454TIP3    H249933  -0.827   1.875   1.373
+ 1454TIP3   OH249934  -0.888   2.096   1.978
+ 1454TIP3    H149935  -0.893   2.001   1.963
+ 1454TIP3    H249936  -0.929   2.109   2.065
+ 1454TIP3   OH249937  -2.378   2.298   2.379
+ 1454TIP3    H149938  -2.353   2.299   2.285
+ 1454TIP3    H249939  -2.292   2.273   2.418
+ 1454TIP3   OH249940  -0.788   2.254   2.941
+ 1454TIP3    H149941  -0.709   2.198   2.942
+ 1454TIP3    H249942  -0.752   2.336   2.904
+ 1454TIP3   OH249943  -0.625   2.021   3.056
+ 1454TIP3    H149944  -0.706   1.991   3.009
+ 1454TIP3    H249945  -0.552   1.978   3.010
+ 1454TIP3   OH249946  -0.871   1.695   1.331
+ 1454TIP3    H149947  -0.818   1.642   1.393
+ 1454TIP3    H249948  -0.962   1.662   1.344
+ 1454TIP3   OH249949  -0.872   1.828   1.833
+ 1454TIP3    H149950  -0.847   1.733   1.838
+ 1454TIP3    H249951  -0.794   1.863   1.787
+ 1454TIP3   OH249952  -0.851   1.876   2.372
+ 1454TIP3    H149953  -0.756   1.895   2.365
+ 1454TIP3    H249954  -0.864   1.884   2.468
+ 1454TIP3   OH249955  -0.805   1.924   2.669
+ 1454TIP3    H149956  -0.892   1.959   2.693
+ 1454TIP3    H249957  -0.757   2.005   2.642
+ 1455TIP3   OH249958  -2.386   1.827   3.009
+ 1455TIP3    H149959  -2.293   1.805   3.024
+ 1455TIP3    H249960  -2.430   1.742   3.026
+ 1455TIP3   OH249961  -0.600   1.403   3.125
+ 1455TIP3    H149962  -0.555   1.317   3.117
+ 1455TIP3    H249963  -0.529   1.462   3.096
+ 1455TIP3   OH249964  -0.826   1.552   1.824
+ 1455TIP3    H149965  -0.817   1.512   1.912
+ 1455TIP3    H249966  -0.898   1.498   1.785
+ 1455TIP3   OH249967  -2.309   1.661   2.299
+ 1455TIP3    H149968  -2.262   1.576   2.303
+ 1455TIP3    H249969  -2.239   1.722   2.332
+ 1455TIP3   OH249970  -2.455   1.930   2.401
+ 1455TIP3    H149971  -2.395   1.924   2.324
+ 1455TIP3    H249972  -2.416   2.004   2.448
+ 1455TIP3   OH249973  -0.626   1.580   1.482
+ 1455TIP3    H149974  -0.595   1.507   1.428
+ 1455TIP3    H249975  -0.544   1.631   1.492
+ 1455TIP3   OH249976  -2.404   1.565   1.809
+ 1455TIP3    H149977  -2.499   1.568   1.786
+ 1455TIP3    H249978  -2.363   1.624   1.742
+ 1455TIP3   OH249979  -0.940   3.101   2.016
+ 1455TIP3    H149980  -0.897   3.066   1.936
+ 1455TIP3    H249981  -0.865   3.123   2.072
+ 1455TIP3   OH249982  -2.400   1.450   2.621
+ 1455TIP3    H149983  -2.470   1.426   2.684
+ 1455TIP3    H249984  -2.450   1.503   2.557
+ 1455TIP3   OH249985  -2.201   2.766   3.090
+ 1455TIP3    H149986  -2.273   2.757   3.026
+ 1455TIP3    H249987  -2.246   2.752   3.175
+ 1456TIP3   OH249988  -1.918   2.859   2.658
+ 1456TIP3    H149989  -1.947   2.945   2.621
+ 1456TIP3    H249990  -1.822   2.867   2.640
+ 1456TIP3   OH249991  -1.468   2.991   2.959
+ 1456TIP3    H149992  -1.452   2.971   3.052
+ 1456TIP3    H249993  -1.384   3.034   2.933
+ 1456TIP3   OH249994  -1.236   3.136   2.889
+ 1456TIP3    H149995  -1.168   3.072   2.864
+ 1456TIP3    H249996  -1.204   3.166   2.976
+ 1456TIP3   OH249997  -0.766   1.436   2.814
+ 1456TIP3    H149998  -0.840   1.440   2.751
+ 1456TIP3    H249999  -0.731   1.346   2.793
+ 1456TIP3   OH250000  -2.181   3.154   2.690
+ 1456TIP3    H150001  -2.240   3.218   2.647
+ 1456TIP3    H250002  -2.213   3.159   2.781
+ 1456TIP3   OH250003  -1.931   3.132   2.547
+ 1456TIP3    H150004  -2.016   3.151   2.590
+ 1456TIP3    H250005  -1.926   3.200   2.478
+ 1456TIP3   OH250006  -1.457   3.130   2.502
+ 1456TIP3    H150007  -1.493   3.173   2.422
+ 1456TIP3    H250008  -1.448   3.206   2.562
+ 1456TIP3   OH250009  -1.224   3.005   2.599
+ 1456TIP3    H150010  -1.307   3.036   2.559
+ 1456TIP3    H250011  -1.166   3.082   2.588
+ 1456TIP3   OH250012  -0.967   3.177   2.613
+ 1456TIP3    H150013  -0.975   3.270   2.585
+ 1456TIP3    H250014  -0.941   3.134   2.530
+ 1456TIP3   OH250015  -2.224   3.032   2.383
+ 1456TIP3    H150016  -2.223   2.985   2.470
+ 1456TIP3    H250017  -2.145   2.990   2.341
+ 1457TIP3   OH250018  -2.021   2.911   2.231
+ 1457TIP3    H150019  -2.033   2.816   2.253
+ 1457TIP3    H250020  -1.928   2.925   2.258
+ 1457TIP3   OH250021  -1.747   2.956   2.318
+ 1457TIP3    H150022  -1.722   2.866   2.292
+ 1457TIP3    H250023  -1.737   2.950   2.415
+ 1457TIP3   OH250024  -1.407   1.543   2.250
+ 1457TIP3    H150025  -1.479   1.477   2.259
+ 1457TIP3    H250026  -1.350   1.502   2.183
+ 1457TIP3   OH250027  -0.916   1.348   2.294
+ 1457TIP3    H150028  -0.839   1.390   2.250
+ 1457TIP3    H250029  -0.990   1.378   2.238
+ 1457TIP3   OH250030  -0.709   1.456   2.085
+ 1457TIP3    H150031  -0.643   1.408   2.031
+ 1457TIP3    H250032  -0.674   1.547   2.084
+ 1457TIP3   OH250033  -2.171   1.406   2.005
+ 1457TIP3    H150034  -2.256   1.391   1.960
+ 1457TIP3    H250035  -2.125   1.322   1.986
+ 1457TIP3   OH250036  -2.295   1.365   1.595
+ 1457TIP3    H150037  -2.245   1.429   1.540
+ 1457TIP3    H250038  -2.335   1.422   1.662
+ 1457TIP3   OH250039  -1.734   1.400   1.983
+ 1457TIP3    H150040  -1.639   1.417   1.971
+ 1457TIP3    H250041  -1.737   1.364   2.073
+ 1457TIP3   OH250042  -1.164   1.399   2.135
+ 1457TIP3    H150043  -1.147   1.394   2.040
+ 1457TIP3    H250044  -1.208   1.314   2.153
+ 1457TIP3   OH250045  -1.050   1.407   1.719
+ 1457TIP3    H150046  -1.131   1.457   1.699
+ 1457TIP3    H250047  -1.085   1.316   1.732
+ 1458TIP3   OH250048  -2.283   2.961   1.710
+ 1458TIP3    H150049  -2.340   2.949   1.633
+ 1458TIP3    H250050  -2.276   3.057   1.713
+ 1458TIP3   OH250051  -2.124   1.548   1.432
+ 1458TIP3    H150052  -2.065   1.491   1.380
+ 1458TIP3    H250053  -2.062   1.582   1.500
+ 1458TIP3   OH250054  -1.620   1.559   1.695
+ 1458TIP3    H150055  -1.578   1.502   1.761
+ 1458TIP3    H250056  -1.591   1.646   1.726
+ 1458TIP3   OH250057  -1.409   3.141   1.519
+ 1458TIP3    H150058  -1.312   3.141   1.515
+ 1458TIP3    H250059  -1.429   3.073   1.452
+ 1458TIP3   OH250060  -0.758   3.046   1.778
+ 1458TIP3    H150061  -0.780   2.959   1.737
+ 1458TIP3    H250062  -0.764   3.105   1.701
+ 1458TIP3   OH250063  -2.195   1.438   2.953
+ 1458TIP3    H150064  -2.236   1.360   2.993
+ 1458TIP3    H250065  -2.104   1.429   2.985
+ 1458TIP3   OH250066  -1.957   1.378   3.130
+ 1458TIP3    H150067  -1.875   1.340   3.090
+ 1458TIP3    H250068  -1.993   1.299   3.174
+ 1458TIP3   OH250069  -2.138   3.048   1.388
+ 1458TIP3    H150070  -2.151   3.083   1.477
+ 1458TIP3    H250071  -2.054   2.999   1.396
+ 1458TIP3   OH250072  -1.148   1.289   3.145
+ 1458TIP3    H150073  -1.146   1.248   3.234
+ 1458TIP3    H250074  -1.053   1.285   3.121
+ 1458TIP3   OH250075  -0.809   2.922   3.016
+ 1458TIP3    H150076  -0.882   2.903   2.954
+ 1458TIP3    H250077  -0.827   3.016   3.036
+ 1459TIP3   OH250078   0.611   2.290   2.030
+ 1459TIP3    H150079   0.610   2.387   2.039
+ 1459TIP3    H250080   0.536   2.276   1.972
+ 1459TIP3   OH250081   0.494   2.235   2.338
+ 1459TIP3    H150082   0.495   2.178   2.416
+ 1459TIP3    H250083   0.470   2.173   2.268
+ 1459TIP3   OH250084  -0.258   2.194   2.506
+ 1459TIP3    H150085  -0.256   2.119   2.567
+ 1459TIP3    H250086  -0.183   2.247   2.537
+ 1459TIP3   OH250087   0.864   2.510   2.169
+ 1459TIP3    H150088   0.827   2.437   2.220
+ 1459TIP3    H250089   0.893   2.569   2.239
+ 1459TIP3   OH250090  -0.191   2.657   2.354
+ 1459TIP3    H150091  -0.214   2.566   2.328
+ 1459TIP3    H250092  -0.098   2.644   2.376
+ 1459TIP3   OH250093  -0.494   1.999   1.896
+ 1459TIP3    H150094  -0.536   2.087   1.895
+ 1459TIP3    H250095  -0.559   1.946   1.849
+ 1459TIP3   OH250096  -0.410   2.245   2.084
+ 1459TIP3    H150097  -0.397   2.158   2.126
+ 1459TIP3    H250098  -0.331   2.252   2.029
+ 1459TIP3   OH250099   0.572   3.045   2.226
+ 1459TIP3    H150100   0.629   2.974   2.192
+ 1459TIP3    H250101   0.543   3.009   2.311
+ 1459TIP3   OH250102   0.345   2.486   2.394
+ 1459TIP3    H150103   0.376   2.413   2.337
+ 1459TIP3    H250104   0.426   2.500   2.445
+ 1459TIP3   OH250105   1.211   1.638   2.457
+ 1459TIP3    H150106   1.237   1.699   2.528
+ 1459TIP3    H250107   1.273   1.665   2.387
+ 1460TIP3   OH250108   0.675   1.919   2.444
+ 1460TIP3    H150109   0.688   1.823   2.451
+ 1460TIP3    H250110   0.666   1.930   2.348
+ 1460TIP3   OH250111  -0.032   1.720   2.153
+ 1460TIP3    H150112  -0.014   1.804   2.107
+ 1460TIP3    H250113  -0.063   1.666   2.078
+ 1460TIP3   OH250114   0.757   1.737   1.984
+ 1460TIP3    H150115   0.815   1.694   2.051
+ 1460TIP3    H250116   0.823   1.780   1.928
+ 1460TIP3   OH250117  -0.361   1.991   2.204
+ 1460TIP3    H150118  -0.294   1.945   2.257
+ 1460TIP3    H250119  -0.352   1.946   2.118
+ 1460TIP3   OH250120   0.178   2.131   2.150
+ 1460TIP3    H150121   0.250   2.077   2.188
+ 1460TIP3    H250122   0.129   2.065   2.098
+ 1460TIP3   OH250123   1.286   1.776   2.706
+ 1460TIP3    H150124   1.226   1.846   2.677
+ 1460TIP3    H250125   1.261   1.770   2.800
+ 1460TIP3   OH250126  -0.156   1.595   2.571
+ 1460TIP3    H150127  -0.188   1.645   2.495
+ 1460TIP3    H250128  -0.214   1.626   2.642
+ 1460TIP3   OH250129   0.603   2.577   1.907
+ 1460TIP3    H150130   0.570   2.550   1.821
+ 1460TIP3    H250131   0.554   2.659   1.925
+ 1460TIP3   OH250132   0.146   2.388   2.581
+ 1460TIP3    H150133   0.072   2.448   2.605
+ 1460TIP3    H250134   0.208   2.448   2.536
+ 1460TIP3   OH250135   0.939   1.662   2.187
+ 1460TIP3    H150136   0.901   1.600   2.251
+ 1460TIP3    H250137   0.993   1.720   2.244
+ 1461TIP3   OH250138  -0.188   1.801   2.364
+ 1461TIP3    H150139  -0.123   1.860   2.408
+ 1461TIP3    H250140  -0.132   1.766   2.291
+ 1461TIP3   OH250141  -0.057   2.574   2.652
+ 1461TIP3    H150142  -0.060   2.667   2.622
+ 1461TIP3    H250143  -0.143   2.568   2.697
+ 1461TIP3   OH250144  -0.431   2.542   1.741
+ 1461TIP3    H150145  -0.454   2.590   1.660
+ 1461TIP3    H250146  -0.417   2.612   1.807
+ 1461TIP3   OH250147   0.920   2.690   2.420
+ 1461TIP3    H150148   0.823   2.701   2.421
+ 1461TIP3    H250149   0.948   2.775   2.381
+ 1461TIP3   OH250150   0.953   1.580   2.573
+ 1461TIP3    H150151   0.875   1.615   2.525
+ 1461TIP3    H250152   1.025   1.595   2.509
+ 1461TIP3   OH250153   0.265   1.350   2.274
+ 1461TIP3    H150154   0.246   1.254   2.271
+ 1461TIP3    H250155   0.184   1.385   2.314
+ 1461TIP3   OH250156   0.751   2.883   2.077
+ 1461TIP3    H150157   0.798   2.803   2.046
+ 1461TIP3    H250158   0.818   2.952   2.062
+ 1461TIP3   OH250159   0.895   2.670   1.937
+ 1461TIP3    H150160   0.844   2.623   1.870
+ 1461TIP3    H250161   0.890   2.606   2.011
+ 1461TIP3   OH250162   1.049   2.553   2.786
+ 1461TIP3    H150163   1.039   2.486   2.715
+ 1461TIP3    H250164   1.064   2.635   2.735
+ 1461TIP3   OH250165   0.477   2.244   1.757
+ 1461TIP3    H150166   0.410   2.301   1.714
+ 1461TIP3    H250167   0.548   2.245   1.690
+ 1462TIP3   OH250168   0.503   2.062   1.463
+ 1462TIP3    H150169   0.575   2.092   1.521
+ 1462TIP3    H250170   0.552   2.004   1.403
+ 1462TIP3   OH250171   1.225   2.169   2.580
+ 1462TIP3    H150172   1.154   2.235   2.588
+ 1462TIP3    H250173   1.274   2.203   2.503
+ 1462TIP3   OH250174   0.828   2.243   1.864
+ 1462TIP3    H150175   0.759   2.263   1.931
+ 1462TIP3    H250176   0.888   2.186   1.915
+ 1462TIP3   OH250177   0.811   2.096   2.748
+ 1462TIP3    H150178   0.816   2.178   2.799
+ 1462TIP3    H250179   0.746   2.123   2.681
+ 1462TIP3   OH250180  -0.014   2.319   2.041
+ 1462TIP3    H150181  -0.045   2.276   1.959
+ 1462TIP3    H250182   0.051   2.255   2.074
+ 1462TIP3   OH250183   0.124   2.661   2.314
+ 1462TIP3    H150184   0.112   2.620   2.227
+ 1462TIP3    H250185   0.203   2.614   2.348
+ 1462TIP3   OH250186   0.044   2.201   2.391
+ 1462TIP3    H150187   0.101   2.201   2.311
+ 1462TIP3    H250188   0.087   2.266   2.448
+ 1462TIP3   OH250189   0.638   2.753   2.448
+ 1462TIP3    H150190   0.643   2.818   2.520
+ 1462TIP3    H250191   0.617   2.670   2.494
+ 1462TIP3   OH250192   0.130   2.633   2.872
+ 1462TIP3    H150193   0.078   2.698   2.922
+ 1462TIP3    H250194   0.066   2.605   2.804
+ 1462TIP3   OH250195   0.723   2.188   1.608
+ 1462TIP3    H150196   0.772   2.215   1.689
+ 1462TIP3    H250197   0.772   2.239   1.538
+ 1463TIP3   OH250198  -0.178   2.277   2.784
+ 1463TIP3    H150199  -0.172   2.331   2.865
+ 1463TIP3    H250200  -0.273   2.261   2.777
+ 1463TIP3   OH250201   0.468   2.847   1.965
+ 1463TIP3    H150202   0.516   2.875   2.044
+ 1463TIP3    H250203   0.419   2.926   1.939
+ 1463TIP3   OH250204  -0.061   2.853   2.956
+ 1463TIP3    H150205  -0.071   2.854   2.859
+ 1463TIP3    H250206  -0.149   2.823   2.987
+ 1463TIP3   OH250207   1.086   1.341   1.559
+ 1463TIP3    H150208   0.997   1.344   1.597
+ 1463TIP3    H250209   1.116   1.432   1.568
+ 1463TIP3   OH250210  -0.124   2.196   1.798
+ 1463TIP3    H150211  -0.142   2.270   1.738
+ 1463TIP3    H250212  -0.185   2.128   1.766
+ 1463TIP3   OH250213   1.204   2.775   1.412
+ 1463TIP3    H150214   1.220   2.868   1.437
+ 1463TIP3    H250215   1.291   2.734   1.431
+ 1463TIP3   OH250216  -0.515   2.463   2.667
+ 1463TIP3    H150217  -0.560   2.464   2.580
+ 1463TIP3    H250218  -0.502   2.367   2.682
+ 1463TIP3   OH250219  -0.509   2.757   2.359
+ 1463TIP3    H150220  -0.418   2.723   2.363
+ 1463TIP3    H250221  -0.512   2.813   2.438
+ 1463TIP3   OH250222   1.329   2.813   2.937
+ 1463TIP3    H150223   1.319   2.718   2.919
+ 1463TIP3    H250224   1.238   2.837   2.965
+ 1463TIP3   OH250225   0.393   2.738   2.816
+ 1463TIP3    H150226   0.401   2.820   2.870
+ 1463TIP3    H250227   0.303   2.707   2.840
+ 1464TIP3   OH250228   0.419   3.120   1.816
+ 1464TIP3    H150229   0.422   3.126   1.719
+ 1464TIP3    H250230   0.430   3.212   1.843
+ 1464TIP3   OH250231  -0.199   3.034   1.978
+ 1464TIP3    H150232  -0.183   2.987   2.062
+ 1464TIP3    H250233  -0.279   2.990   1.946
+ 1464TIP3   OH250234   0.753   3.061   1.533
+ 1464TIP3    H150235   0.810   2.996   1.488
+ 1464TIP3    H250236   0.747   3.023   1.623
+ 1464TIP3   OH250237   0.691   3.005   1.814
+ 1464TIP3    H150238   0.595   3.014   1.827
+ 1464TIP3    H250239   0.709   2.931   1.875
+ 1464TIP3   OH250240   1.007   1.952   2.978
+ 1464TIP3    H150241   0.956   1.990   2.906
+ 1464TIP3    H250242   1.012   1.858   2.951
+ 1464TIP3   OH250243  -0.298   2.617   2.794
+ 1464TIP3    H150244  -0.268   2.568   2.873
+ 1464TIP3    H250245  -0.369   2.560   2.757
+ 1464TIP3   OH250246   0.023   1.461   2.368
+ 1464TIP3    H150247  -0.059   1.460   2.315
+ 1464TIP3    H250248   0.005   1.537   2.427
+ 1464TIP3   OH250249   0.460   1.417   2.723
+ 1464TIP3    H150250   0.515   1.374   2.792
+ 1464TIP3    H250251   0.370   1.391   2.750
+ 1464TIP3   OH250252   0.775   1.799   2.789
+ 1464TIP3    H150253   0.714   1.785   2.864
+ 1464TIP3    H250254   0.767   1.894   2.772
+ 1464TIP3   OH250255   0.874   2.295   1.400
+ 1464TIP3    H150256   0.856   2.270   1.307
+ 1464TIP3    H250257   0.969   2.316   1.396
+ 1465TIP3   OH250258   0.444   1.676   1.465
+ 1465TIP3    H150259   0.395   1.660   1.547
+ 1465TIP3    H250260   0.401   1.611   1.406
+ 1465TIP3   OH250261   0.007   1.941   2.506
+ 1465TIP3    H150262  -0.041   1.957   2.589
+ 1465TIP3    H250263   0.019   2.033   2.472
+ 1465TIP3   OH250264   0.004   1.950   1.997
+ 1465TIP3    H150265  -0.092   1.939   1.979
+ 1465TIP3    H250266   0.040   1.929   1.908
+ 1465TIP3   OH250267   0.565   2.006   1.875
+ 1465TIP3    H150268   0.525   2.088   1.840
+ 1465TIP3    H250269   0.633   1.988   1.808
+ 1465TIP3   OH250270   0.492   2.036   3.003
+ 1465TIP3    H150271   0.439   1.962   3.040
+ 1465TIP3    H250272   0.579   2.019   3.043
+ 1465TIP3   OH250273   0.650   1.946   2.152
+ 1465TIP3    H150274   0.621   2.002   2.078
+ 1465TIP3    H250275   0.672   1.864   2.103
+ 1465TIP3   OH250276  -0.268   1.961   2.701
+ 1465TIP3    H150277  -0.212   1.987   2.777
+ 1465TIP3    H250278  -0.295   1.871   2.726
+ 1465TIP3   OH250279   0.087   1.721   1.352
+ 1465TIP3    H150280   0.051   1.683   1.434
+ 1465TIP3    H250281   0.007   1.733   1.299
+ 1465TIP3   OH250282  -0.572   1.701   2.056
+ 1465TIP3    H150283  -0.505   1.697   2.126
+ 1465TIP3    H250284  -0.527   1.664   1.977
+ 1465TIP3   OH250285  -0.409   1.748   1.628
+ 1465TIP3    H150286  -0.357   1.795   1.560
+ 1465TIP3    H250287  -0.483   1.809   1.645
+ 1466TIP3   OH250288   0.560   2.113   2.599
+ 1466TIP3    H150289   0.604   2.041   2.548
+ 1466TIP3    H250290   0.528   2.064   2.676
+ 1466TIP3   OH250291   0.281   1.711   2.100
+ 1466TIP3    H150292   0.187   1.701   2.122
+ 1466TIP3    H250293   0.323   1.687   2.185
+ 1466TIP3   OH250294  -0.264   1.831   1.967
+ 1466TIP3    H150295  -0.345   1.855   1.920
+ 1466TIP3    H250296  -0.234   1.751   1.920
+ 1466TIP3   OH250297   0.101   1.869   1.738
+ 1466TIP3    H150298   0.198   1.871   1.741
+ 1466TIP3    H250299   0.078   1.925   1.663
+ 1466TIP3   OH250300   0.719   1.623   2.403
+ 1466TIP3    H150301   0.654   1.622   2.477
+ 1466TIP3    H250302   0.663   1.589   2.331
+ 1466TIP3   OH250303  -0.057   1.993   1.510
+ 1466TIP3    H150304  -0.111   1.958   1.438
+ 1466TIP3    H250305   0.027   2.009   1.464
+ 1466TIP3   OH250306   1.019   3.201   3.068
+ 1466TIP3    H150307   1.043   3.245   2.985
+ 1466TIP3    H250308   1.090   3.231   3.127
+ 1466TIP3   OH250309  -0.190   2.463   3.010
+ 1466TIP3    H150310  -0.120   2.469   3.080
+ 1466TIP3    H250311  -0.269   2.462   3.068
+ 1466TIP3   OH250312   0.382   1.963   2.283
+ 1466TIP3    H150313   0.455   1.919   2.236
+ 1466TIP3    H250314   0.366   1.901   2.357
+ 1466TIP3   OH250315  -0.091   1.600   1.903
+ 1466TIP3    H150316  -0.145   1.520   1.910
+ 1466TIP3    H250317  -0.010   1.567   1.862
+ 1467TIP3   OH250318   0.280   1.809   2.505
+ 1467TIP3    H150319   0.202   1.866   2.510
+ 1467TIP3    H250320   0.329   1.831   2.587
+ 1467TIP3   OH250321   0.290   2.451   1.696
+ 1467TIP3    H150322   0.217   2.396   1.661
+ 1467TIP3    H250323   0.274   2.450   1.793
+ 1467TIP3   OH250324   1.015   2.365   2.571
+ 1467TIP3    H150325   1.066   2.418   2.505
+ 1467TIP3    H250326   0.930   2.352   2.524
+ 1467TIP3   OH250327   0.716   1.722   1.466
+ 1467TIP3    H150328   0.618   1.721   1.464
+ 1467TIP3    H250329   0.736   1.796   1.526
+ 1467TIP3   OH250330   0.458   2.449   2.828
+ 1467TIP3    H150331   0.428   2.415   2.913
+ 1467TIP3    H250332   0.427   2.541   2.829
+ 1467TIP3   OH250333   0.775   1.910   1.677
+ 1467TIP3    H150334   0.863   1.894   1.717
+ 1467TIP3    H250335   0.787   1.997   1.634
+ 1467TIP3   OH250336  -0.191   2.388   2.279
+ 1467TIP3    H150337  -0.138   2.376   2.198
+ 1467TIP3    H250338  -0.182   2.300   2.320
+ 1467TIP3   OH250339   0.533   2.584   1.588
+ 1467TIP3    H150340   0.507   2.669   1.629
+ 1467TIP3    H250341   0.459   2.527   1.616
+ 1467TIP3   OH250342  -0.478   2.218   2.814
+ 1467TIP3    H150343  -0.443   2.167   2.890
+ 1467TIP3    H250344  -0.522   2.152   2.759
+ 1467TIP3   OH250345   0.232   2.170   2.998
+ 1467TIP3    H150346   0.201   2.139   2.911
+ 1467TIP3    H250347   0.324   2.137   2.996
+ 1468TIP3   OH250348   0.685   2.712   2.774
+ 1468TIP3    H150349   0.588   2.715   2.769
+ 1468TIP3    H250350   0.700   2.732   2.868
+ 1468TIP3   OH250351   1.237   1.911   1.653
+ 1468TIP3    H150352   1.181   1.890   1.577
+ 1468TIP3    H250353   1.247   2.008   1.638
+ 1468TIP3   OH250354   1.284   2.520   2.932
+ 1468TIP3    H150355   1.189   2.539   2.913
+ 1468TIP3    H250356   1.316   2.497   2.843
+ 1468TIP3   OH250357   1.058   2.774   1.663
+ 1468TIP3    H150358   1.034   2.696   1.716
+ 1468TIP3    H250359   1.111   2.736   1.592
+ 1468TIP3   OH250360   0.781   2.307   2.400
+ 1468TIP3    H150361   0.688   2.290   2.376
+ 1468TIP3    H250362   0.826   2.235   2.352
+ 1468TIP3   OH250363   0.044   2.715   2.005
+ 1468TIP3    H150364   0.087   2.800   1.991
+ 1468TIP3    H250365  -0.047   2.734   1.979
+ 1468TIP3   OH250366  -0.359   2.199   1.474
+ 1468TIP3    H150367  -0.301   2.266   1.515
+ 1468TIP3    H250368  -0.445   2.223   1.512
+ 1468TIP3   OH250369   0.229   2.484   1.968
+ 1468TIP3    H150370   0.196   2.575   1.981
+ 1468TIP3    H250371   0.158   2.432   2.010
+ 1468TIP3   OH250372   0.244   2.911   2.603
+ 1468TIP3    H150373   0.302   2.984   2.574
+ 1468TIP3    H250374   0.306   2.859   2.658
+ 1468TIP3   OH250375   0.089   3.005   1.927
+ 1468TIP3    H150376  -0.007   3.019   1.934
+ 1468TIP3    H250377   0.124   3.093   1.949
+ 1469TIP3   OH250378   0.586   2.486   2.559
+ 1469TIP3    H150379   0.557   2.456   2.647
+ 1469TIP3    H250380   0.659   2.424   2.540
+ 1469TIP3   OH250381   0.803   2.619   1.452
+ 1469TIP3    H150382   0.845   2.570   1.526
+ 1469TIP3    H250383   0.710   2.601   1.474
+ 1469TIP3   OH250384   0.880   2.942   2.799
+ 1469TIP3    H150385   0.805   2.895   2.758
+ 1469TIP3    H250386   0.889   3.020   2.741
+ 1469TIP3   OH250387   1.276   3.042   1.505
+ 1469TIP3    H150388   1.346   3.106   1.483
+ 1469TIP3    H250389   1.199   3.101   1.504
+ 1469TIP3   OH250390  -0.379   1.693   2.770
+ 1469TIP3    H150391  -0.437   1.671   2.696
+ 1469TIP3    H250392  -0.359   1.605   2.807
+ 1469TIP3   OH250393   0.900   2.477   1.689
+ 1469TIP3    H150394   0.872   2.404   1.747
+ 1469TIP3    H250395   0.997   2.473   1.698
+ 1469TIP3   OH250396  -0.360   2.855   2.607
+ 1469TIP3    H150397  -0.330   2.764   2.620
+ 1469TIP3    H250398  -0.335   2.894   2.692
+ 1469TIP3   OH250399   0.226   2.721   1.309
+ 1469TIP3    H150400   0.254   2.642   1.259
+ 1469TIP3    H250401   0.184   2.680   1.387
+ 1469TIP3   OH250402   0.110   2.672   1.579
+ 1469TIP3    H150403   0.162   2.617   1.640
+ 1469TIP3    H250404   0.126   2.762   1.613
+ 1469TIP3   OH250405  -0.206   2.420   1.621
+ 1469TIP3    H150406  -0.280   2.456   1.674
+ 1469TIP3    H250407  -0.160   2.501   1.595
+ 1470TIP3   OH250408   0.559   1.664   2.622
+ 1470TIP3    H150409   0.622   1.685   2.693
+ 1470TIP3    H250410   0.511   1.587   2.658
+ 1470TIP3   OH250411   0.627   1.605   1.746
+ 1470TIP3    H150412   0.643   1.658   1.667
+ 1470TIP3    H250413   0.673   1.656   1.814
+ 1470TIP3   OH250414   0.408   2.839   1.644
+ 1470TIP3    H150415   0.323   2.884   1.657
+ 1470TIP3    H250416   0.441   2.880   1.563
+ 1470TIP3   OH250417   0.367   1.805   1.842
+ 1470TIP3    H150418   0.443   1.865   1.855
+ 1470TIP3    H250419   0.338   1.789   1.933
+ 1470TIP3   OH250420   0.400   1.897   2.759
+ 1470TIP3    H150421   0.411   1.949   2.841
+ 1470TIP3    H250422   0.452   1.818   2.780
+ 1470TIP3   OH250423   0.426   1.509   1.934
+ 1470TIP3    H150424   0.407   1.578   2.001
+ 1470TIP3    H250425   0.500   1.550   1.885
+ 1470TIP3   OH250426   0.127   2.942   1.642
+ 1470TIP3    H150427   0.119   3.023   1.588
+ 1470TIP3    H250428   0.113   2.977   1.732
+ 1470TIP3   OH250429  -0.000   1.608   1.589
+ 1470TIP3    H150430  -0.003   1.683   1.650
+ 1470TIP3    H250431   0.080   1.561   1.617
+ 1470TIP3   OH250432   1.031   1.700   2.846
+ 1470TIP3    H150433   0.934   1.711   2.833
+ 1470TIP3    H250434   1.054   1.675   2.755
+ 1470TIP3   OH250435   0.882   2.083   2.249
+ 1470TIP3    H150436   0.800   2.037   2.221
+ 1470TIP3    H250437   0.930   2.011   2.295
+ 1471TIP3   OH250438  -0.162   2.698   1.495
+ 1471TIP3    H150439  -0.086   2.744   1.535
+ 1471TIP3    H250440  -0.115   2.647   1.428
+ 1471TIP3   OH250441  -0.349   1.916   1.391
+ 1471TIP3    H150442  -0.337   2.004   1.429
+ 1471TIP3    H250443  -0.444   1.908   1.384
+ 1471TIP3   OH250444   0.982   2.970   2.387
+ 1471TIP3    H150445   0.967   3.052   2.337
+ 1471TIP3    H250446   1.075   2.981   2.413
+ 1471TIP3   OH250447  -0.264   1.421   2.284
+ 1471TIP3    H150448  -0.273   1.413   2.187
+ 1471TIP3    H250449  -0.288   1.332   2.314
+ 1471TIP3   OH250450  -0.364   2.767   1.914
+ 1471TIP3    H150451  -0.445   2.816   1.936
+ 1471TIP3    H250452  -0.329   2.818   1.839
+ 1471TIP3   OH250453  -0.426   3.059   3.028
+ 1471TIP3    H150454  -0.367   3.031   3.101
+ 1471TIP3    H250455  -0.464   2.973   3.000
+ 1471TIP3   OH250456   0.042   2.965   3.207
+ 1471TIP3    H150457   0.112   2.902   3.228
+ 1471TIP3    H250458   0.021   2.938   3.116
+ 1471TIP3   OH250459   0.448   2.890   1.360
+ 1471TIP3    H150460   0.373   2.828   1.348
+ 1471TIP3    H250461   0.520   2.836   1.322
+ 1471TIP3   OH250462   0.690   2.793   3.066
+ 1471TIP3    H150463   0.652   2.711   3.102
+ 1471TIP3    H250464   0.760   2.813   3.130
+ 1471TIP3   OH250465   0.912   2.883   1.370
+ 1471TIP3    H150466   0.924   2.800   1.420
+ 1471TIP3    H250467   0.992   2.883   1.314
+ 1472TIP3   OH250468  -0.432   2.423   3.141
+ 1472TIP3    H150469  -0.418   2.333   3.109
+ 1472TIP3    H250470  -0.507   2.452   3.086
+ 1472TIP3   OH250471  -0.011   2.463   1.338
+ 1472TIP3    H150472   0.005   2.405   1.414
+ 1472TIP3    H250473   0.077   2.460   1.295
+ 1472TIP3   OH250474   0.232   2.441   3.075
+ 1472TIP3    H150475   0.203   2.472   2.988
+ 1472TIP3    H250476   0.240   2.344   3.061
+ 1472TIP3   OH250477   0.515   2.597   1.304
+ 1472TIP3    H150478   0.511   2.590   1.401
+ 1472TIP3    H250479   0.511   2.501   1.281
+ 1472TIP3   OH250480   0.770   2.402   2.814
+ 1472TIP3    H150481   0.848   2.455   2.793
+ 1472TIP3    H250482   0.700   2.470   2.811
+ 1472TIP3   OH250483  -0.340   2.132   3.055
+ 1472TIP3    H150484  -0.264   2.071   3.057
+ 1472TIP3    H250485  -0.346   2.154   3.149
+ 1472TIP3   OH250486   0.101   2.272   1.576
+ 1472TIP3    H150487   0.039   2.220   1.630
+ 1472TIP3    H250488   0.131   2.205   1.512
+ 1472TIP3   OH250489   0.014   2.050   2.789
+ 1472TIP3    H150490  -0.029   2.132   2.821
+ 1472TIP3    H250491   0.089   2.086   2.738
+ 1472TIP3   OH250492   0.196   2.073   1.403
+ 1472TIP3    H150493   0.194   2.082   1.306
+ 1472TIP3    H250494   0.292   2.068   1.419
+ 1472TIP3   OH250495   0.554   2.322   3.160
+ 1472TIP3    H150496   0.643   2.300   3.126
+ 1472TIP3    H250497   0.526   2.236   3.195
+ 1473TIP3   OH250498   1.146   2.322   1.330
+ 1473TIP3    H150499   1.129   2.284   1.242
+ 1473TIP3    H250500   1.137   2.417   1.309
+ 1473TIP3   OH250501   0.060   1.775   2.912
+ 1473TIP3    H150502   0.090   1.705   2.852
+ 1473TIP3    H250503   0.066   1.854   2.856
+ 1473TIP3   OH250504   0.115   1.624   2.662
+ 1473TIP3    H150505   0.173   1.666   2.595
+ 1473TIP3    H250506   0.027   1.626   2.621
+ 1473TIP3   OH250507   0.266   2.168   2.700
+ 1473TIP3    H150508   0.351   2.158   2.654
+ 1473TIP3    H250509   0.239   2.257   2.669
+ 1473TIP3   OH250510   0.730   1.964   3.182
+ 1473TIP3    H150511   0.747   1.869   3.188
+ 1473TIP3    H250512   0.820   1.999   3.174
+ 1473TIP3   OH250513   0.823   2.242   3.029
+ 1473TIP3    H150514   0.789   2.303   2.959
+ 1473TIP3    H250515   0.912   2.225   2.993
+ 1473TIP3   OH250516  -0.108   1.957   3.086
+ 1473TIP3    H150517  -0.162   1.877   3.096
+ 1473TIP3    H250518  -0.025   1.921   3.052
+ 1473TIP3   OH250519   0.190   1.339   2.695
+ 1473TIP3    H150520   0.167   1.430   2.720
+ 1473TIP3    H250521   0.111   1.308   2.650
+ 1473TIP3   OH250522   0.307   1.839   3.079
+ 1473TIP3    H150523   0.294   1.792   3.164
+ 1473TIP3    H250524   0.243   1.791   3.025
+ 1473TIP3   OH250525   0.560   1.722   2.970
+ 1473TIP3    H150526   0.469   1.710   3.002
+ 1473TIP3    H250527   0.606   1.654   3.022
+ 1474TIP3   OH250528   0.758   1.569   3.134
+ 1474TIP3    H150529   0.734   1.475   3.143
+ 1474TIP3    H250530   0.727   1.608   3.218
+ 1474TIP3   OH250531  -0.282   1.718   3.078
+ 1474TIP3    H150532  -0.252   1.650   3.017
+ 1474TIP3    H250533  -0.275   1.674   3.165
+ 1474TIP3   OH250534   0.171   3.198   1.512
+ 1474TIP3    H150535   0.267   3.207   1.521
+ 1474TIP3    H250536   0.158   3.241   1.426
+ 1474TIP3   OH250537  -0.439   2.639   1.464
+ 1474TIP3    H150538  -0.343   2.656   1.480
+ 1474TIP3    H250539  -0.435   2.559   1.407
+ 1474TIP3   OH250540  -0.540   3.157   1.939
+ 1474TIP3    H150541  -0.610   3.118   1.883
+ 1474TIP3    H250542  -0.528   3.087   2.006
+ 1474TIP3   OH250543  -0.500   2.959   2.137
+ 1474TIP3    H150544  -0.528   2.871   2.166
+ 1474TIP3    H250545  -0.463   2.992   2.220
+ 1474TIP3   OH250546   1.255   3.091   2.438
+ 1474TIP3    H150547   1.273   3.080   2.533
+ 1474TIP3    H250548   1.343   3.112   2.404
+ 1474TIP3   OH250549   1.246   3.030   2.725
+ 1474TIP3    H150550   1.193   2.955   2.690
+ 1474TIP3    H250551   1.302   2.982   2.788
+ 1474TIP3   OH250552   1.045   2.573   3.153
+ 1474TIP3    H150553   0.957   2.579   3.194
+ 1474TIP3    H250554   1.090   2.652   3.186
+ 1474TIP3   OH250555   1.185   2.463   1.728
+ 1474TIP3    H150556   1.276   2.494   1.745
+ 1474TIP3    H250557   1.176   2.398   1.800
+ 1475TIP3   OH250558   1.229   2.262   1.925
+ 1475TIP3    H150559   1.164   2.202   1.968
+ 1475TIP3    H250560   1.300   2.269   1.992
+ 1475TIP3   OH250561   1.203   2.508   2.422
+ 1475TIP3    H150562   1.265   2.457   2.368
+ 1475TIP3    H250563   1.219   2.599   2.391
+ 1475TIP3   OH250564   1.076   2.803   2.646
+ 1475TIP3    H150565   1.002   2.838   2.698
+ 1475TIP3    H250566   1.030   2.763   2.569
+ 1475TIP3   OH250567   1.257   2.202   1.582
+ 1475TIP3    H150568   1.206   2.230   1.504
+ 1475TIP3    H250569   1.243   2.278   1.642
+ 1475TIP3   OH250570   1.082   1.954   1.405
+ 1475TIP3    H150571   1.113   2.012   1.334
+ 1475TIP3    H250572   1.060   1.872   1.357
+ 1475TIP3   OH250573   1.023   2.072   2.006
+ 1475TIP3    H150574   1.018   1.976   1.990
+ 1475TIP3    H250575   0.986   2.080   2.096
+ 1475TIP3   OH250576  -0.491   2.291   2.376
+ 1475TIP3    H150577  -0.467   2.297   2.282
+ 1475TIP3    H250578  -0.403   2.271   2.415
+ 1475TIP3   OH250579   1.085   2.265   2.922
+ 1475TIP3    H150580   1.158   2.202   2.936
+ 1475TIP3    H250581   1.132   2.347   2.902
+ 1475TIP3   OH250582   1.239   2.074   3.046
+ 1475TIP3    H150583   1.161   2.021   3.021
+ 1475TIP3    H250584   1.311   2.008   3.040
+ 1475TIP3   OH250585   1.037   1.685   1.316
+ 1475TIP3    H150586   1.088   1.641   1.387
+ 1475TIP3    H250587   0.953   1.635   1.316
+ 1476TIP3   OH250588   1.010   1.821   1.825
+ 1476TIP3    H150589   1.034   1.726   1.829
+ 1476TIP3    H250590   1.091   1.857   1.784
+ 1476TIP3   OH250591   1.035   1.884   2.368
+ 1476TIP3    H150592   1.132   1.892   2.365
+ 1476TIP3    H250593   1.020   1.883   2.464
+ 1476TIP3   OH250594   1.051   1.951   2.651
+ 1476TIP3    H150595   0.966   1.990   2.677
+ 1476TIP3    H250596   1.104   2.031   2.628
+ 1476TIP3   OH250597   1.308   1.368   3.180
+ 1476TIP3    H150598   1.348   1.298   3.125
+ 1476TIP3    H250599   1.310   1.444   3.119
+ 1476TIP3   OH250600   1.059   1.542   1.821
+ 1476TIP3    H150601   1.068   1.507   1.912
+ 1476TIP3    H250602   0.984   1.490   1.787
+ 1476TIP3   OH250603  -0.426   1.660   2.306
+ 1476TIP3    H150604  -0.378   1.575   2.300
+ 1476TIP3    H250605  -0.352   1.720   2.329
+ 1476TIP3   OH250606  -0.565   1.926   2.412
+ 1476TIP3    H150607  -0.511   1.918   2.331
+ 1476TIP3    H250608  -0.531   2.009   2.448
+ 1476TIP3   OH250609   1.244   1.572   3.003
+ 1476TIP3    H150610   1.156   1.614   3.008
+ 1476TIP3    H250611   1.233   1.516   2.924
+ 1476TIP3   OH250612   1.252   1.599   1.495
+ 1476TIP3    H150613   1.281   1.518   1.452
+ 1476TIP3    H250614   1.336   1.648   1.502
+ 1476TIP3   OH250615  -0.517   1.567   1.817
+ 1476TIP3    H150616  -0.606   1.553   1.783
+ 1476TIP3    H250617  -0.469   1.600   1.738
+ 1477TIP3   OH250618   0.944   3.094   2.018
+ 1477TIP3    H150619   0.989   3.065   1.937
+ 1477TIP3    H250620   1.018   3.124   2.071
+ 1477TIP3   OH250621  -0.516   1.472   2.636
+ 1477TIP3    H150622  -0.576   1.404   2.667
+ 1477TIP3    H250623  -0.564   1.507   2.557
+ 1477TIP3   OH250624  -0.315   2.761   3.090
+ 1477TIP3    H150625  -0.388   2.757   3.026
+ 1477TIP3    H250626  -0.362   2.757   3.175
+ 1477TIP3   OH250627  -0.032   2.859   2.657
+ 1477TIP3    H150628  -0.061   2.945   2.622
+ 1477TIP3    H250629   0.064   2.867   2.641
+ 1477TIP3   OH250630   0.419   2.991   2.959
+ 1477TIP3    H150631   0.434   2.972   3.053
+ 1477TIP3    H250632   0.503   3.034   2.934
+ 1477TIP3   OH250633   0.649   3.136   2.882
+ 1477TIP3    H150634   0.717   3.071   2.859
+ 1477TIP3    H250635   0.679   3.165   2.970
+ 1477TIP3   OH250636   1.133   1.395   2.801
+ 1477TIP3    H150637   1.051   1.414   2.751
+ 1477TIP3    H250638   1.154   1.305   2.769
+ 1477TIP3   OH250639  -0.294   3.155   2.690
+ 1477TIP3    H150640  -0.354   3.218   2.646
+ 1477TIP3    H250641  -0.328   3.158   2.781
+ 1477TIP3   OH250642  -0.044   3.132   2.547
+ 1477TIP3    H150643  -0.130   3.149   2.590
+ 1477TIP3    H250644  -0.042   3.200   2.477
+ 1477TIP3   OH250645   0.429   3.131   2.502
+ 1477TIP3    H150646   0.392   3.175   2.424
+ 1477TIP3    H250647   0.438   3.205   2.565
+ 1478TIP3   OH250648   0.664   3.003   2.594
+ 1478TIP3    H150649   0.579   3.038   2.560
+ 1478TIP3    H250650   0.720   3.082   2.592
+ 1478TIP3   OH250651   0.917   3.176   2.613
+ 1478TIP3    H150652   0.913   3.271   2.589
+ 1478TIP3    H250653   0.945   3.137   2.528
+ 1478TIP3   OH250654  -0.336   3.034   2.385
+ 1478TIP3    H150655  -0.338   2.984   2.470
+ 1478TIP3    H250656  -0.261   2.990   2.341
+ 1478TIP3   OH250657  -0.135   2.910   2.231
+ 1478TIP3    H150658  -0.149   2.816   2.254
+ 1478TIP3    H250659  -0.043   2.924   2.260
+ 1478TIP3   OH250660   0.142   2.956   2.318
+ 1478TIP3    H150661   0.161   2.863   2.294
+ 1478TIP3    H250662   0.149   2.951   2.414
+ 1478TIP3   OH250663   0.473   1.546   2.246
+ 1478TIP3    H150664   0.405   1.477   2.263
+ 1478TIP3    H250665   0.534   1.498   2.188
+ 1478TIP3   OH250666   0.970   1.348   2.294
+ 1478TIP3    H150667   1.046   1.390   2.250
+ 1478TIP3    H250668   0.895   1.375   2.238
+ 1478TIP3   OH250669   1.178   1.457   2.085
+ 1478TIP3    H150670   1.245   1.411   2.030
+ 1478TIP3    H250671   1.213   1.548   2.087
+ 1478TIP3   OH250672  -0.294   1.394   2.006
+ 1478TIP3    H150673  -0.377   1.392   1.954
+ 1478TIP3    H250674  -0.255   1.308   1.981
+ 1478TIP3   OH250675   0.155   1.402   1.992
+ 1478TIP3    H150676   0.248   1.426   1.975
+ 1478TIP3    H250677   0.157   1.387   2.087
+ 1479TIP3   OH250678   0.718   1.401   2.134
+ 1479TIP3    H150679   0.742   1.384   2.042
+ 1479TIP3    H250680   0.677   1.316   2.159
+ 1479TIP3   OH250681   0.830   1.395   1.722
+ 1479TIP3    H150682   0.748   1.447   1.709
+ 1479TIP3    H250683   0.793   1.307   1.744
+ 1479TIP3   OH250684  -0.391   2.961   1.709
+ 1479TIP3    H150685  -0.454   2.947   1.637
+ 1479TIP3    H250686  -0.393   3.057   1.715
+ 1479TIP3   OH250687  -0.239   1.574   1.414
+ 1479TIP3    H150688  -0.203   1.489   1.383
+ 1479TIP3    H250689  -0.193   1.582   1.499
+ 1479TIP3   OH250690   0.270   1.563   1.696
+ 1479TIP3    H150691   0.305   1.505   1.766
+ 1479TIP3    H250692   0.291   1.649   1.734
+ 1479TIP3   OH250693   0.477   3.144   1.519
+ 1479TIP3    H150694   0.574   3.144   1.515
+ 1479TIP3    H250695   0.456   3.078   1.452
+ 1479TIP3   OH250696   1.125   3.046   1.778
+ 1479TIP3    H150697   1.104   2.961   1.735
+ 1479TIP3    H250698   1.125   3.106   1.702
+ 1479TIP3   OH250699  -0.316   1.434   2.953
+ 1479TIP3    H150700  -0.345   1.349   2.991
+ 1479TIP3    H250701  -0.222   1.433   2.982
+ 1479TIP3   OH250702  -0.085   1.376   3.122
+ 1479TIP3    H150703   0.011   1.374   3.104
+ 1479TIP3    H250704  -0.097   1.290   3.166
+ 1479TIP3   OH250705  -0.248   3.056   1.387
+ 1479TIP3    H150706  -0.271   3.082   1.477
+ 1479TIP3    H250707  -0.170   2.998   1.401
+ 1480TIP3   OH250708   0.739   1.289   3.148
+ 1480TIP3    H150709   0.746   1.249   3.236
+ 1480TIP3    H250710   0.832   1.287   3.118
+ 1480TIP3   OH250711   1.077   2.923   3.016
+ 1480TIP3    H150712   1.004   2.902   2.955
+ 1480TIP3    H250713   1.058   3.017   3.036
+ 1480TIP3   OH250714   2.500   2.291   2.025
+ 1480TIP3    H150715   2.495   2.386   2.043
+ 1480TIP3    H250716   2.419   2.277   1.974
+ 1480TIP3   OH250717   2.395   2.229   2.337
+ 1480TIP3    H150718   2.367   2.191   2.421
+ 1480TIP3    H250719   2.353   2.168   2.273
+ 1480TIP3   OH250720   1.631   2.196   2.504
+ 1480TIP3    H150721   1.631   2.122   2.567
+ 1480TIP3    H250722   1.708   2.246   2.536
+ 1480TIP3   OH250723   2.752   2.508   2.169
+ 1480TIP3    H150724   2.711   2.437   2.220
+ 1480TIP3    H250725   2.775   2.571   2.239
+ 1480TIP3   OH250726   1.697   2.657   2.356
+ 1480TIP3    H150727   1.672   2.565   2.333
+ 1480TIP3    H250728   1.786   2.641   2.390
+ 1480TIP3   OH250729   1.395   1.997   1.891
+ 1480TIP3    H150730   1.353   2.084   1.900
+ 1480TIP3    H250731   1.324   1.945   1.852
+ 1480TIP3   OH250732   1.473   2.242   2.076
+ 1480TIP3    H150733   1.488   2.160   2.127
+ 1480TIP3    H250734   1.559   2.254   2.033
+ 1480TIP3   OH250735   2.460   3.046   2.226
+ 1480TIP3    H150736   2.516   2.973   2.193
+ 1480TIP3    H250737   2.427   3.010   2.309
+ 1481TIP3   OH250738   2.232   2.492   2.372
+ 1481TIP3    H150739   2.266   2.411   2.331
+ 1481TIP3    H250740   2.287   2.496   2.452
+ 1481TIP3   OH250741   3.100   1.634   2.461
+ 1481TIP3    H150742   3.121   1.700   2.529
+ 1481TIP3    H250743   3.156   1.666   2.387
+ 1481TIP3   OH250744   2.561   1.920   2.448
+ 1481TIP3    H150745   2.570   1.824   2.450
+ 1481TIP3    H250746   2.549   1.937   2.353
+ 1481TIP3   OH250747   1.860   1.719   2.152
+ 1481TIP3    H150748   1.870   1.806   2.107
+ 1481TIP3    H250749   1.823   1.667   2.079
+ 1481TIP3   OH250750   2.643   1.735   1.984
+ 1481TIP3    H150751   2.703   1.694   2.050
+ 1481TIP3    H250752   2.706   1.782   1.928
+ 1481TIP3   OH250753   1.526   1.993   2.203
+ 1481TIP3    H150754   1.589   1.946   2.260
+ 1481TIP3    H250755   1.534   1.944   2.119
+ 1481TIP3   OH250756   2.063   2.132   2.152
+ 1481TIP3    H150757   2.131   2.076   2.194
+ 1481TIP3    H250758   2.010   2.066   2.104
+ 1481TIP3   OH250759   3.171   1.775   2.707
+ 1481TIP3    H150760   3.113   1.847   2.677
+ 1481TIP3    H250761   3.149   1.772   2.801
+ 1481TIP3   OH250762   1.739   1.599   2.568
+ 1481TIP3    H150763   1.698   1.648   2.496
+ 1481TIP3    H250764   1.672   1.612   2.638
+ 1481TIP3   OH250765   2.493   2.580   1.905
+ 1481TIP3    H150766   2.452   2.549   1.824
+ 1481TIP3    H250767   2.441   2.661   1.926
+ 1482TIP3   OH250768   2.830   1.656   2.190
+ 1482TIP3    H150769   2.779   1.607   2.255
+ 1482TIP3    H250770   2.876   1.722   2.245
+ 1482TIP3   OH250771   1.698   1.803   2.363
+ 1482TIP3    H150772   1.761   1.862   2.409
+ 1482TIP3    H250773   1.756   1.767   2.292
+ 1482TIP3   OH250774   1.841   2.553   2.620
+ 1482TIP3    H150775   1.844   2.649   2.612
+ 1482TIP3    H250776   1.767   2.538   2.680
+ 1482TIP3   OH250777   1.461   2.545   1.741
+ 1482TIP3    H150778   1.441   2.596   1.661
+ 1482TIP3    H250779   1.478   2.615   1.808
+ 1482TIP3   OH250780   2.808   2.691   2.421
+ 1482TIP3    H150781   2.711   2.698   2.425
+ 1482TIP3    H250782   2.830   2.777   2.381
+ 1482TIP3   OH250783   2.840   1.565   2.573
+ 1482TIP3    H150784   2.763   1.610   2.534
+ 1482TIP3    H250785   2.911   1.590   2.511
+ 1482TIP3   OH250786   2.161   1.338   2.296
+ 1482TIP3    H150787   2.126   1.248   2.282
+ 1482TIP3    H250788   2.079   1.385   2.323
+ 1482TIP3   OH250789   2.639   2.882   2.080
+ 1482TIP3    H150790   2.685   2.803   2.045
+ 1482TIP3    H250791   2.703   2.953   2.061
+ 1482TIP3   OH250792   2.784   2.668   1.936
+ 1482TIP3    H150793   2.727   2.625   1.871
+ 1482TIP3    H250794   2.777   2.605   2.010
+ 1482TIP3   OH250795   2.941   2.555   2.786
+ 1482TIP3    H150796   2.924   2.487   2.718
+ 1482TIP3    H250797   2.948   2.635   2.732
+ 1483TIP3   OH250798   2.361   2.242   1.757
+ 1483TIP3    H150799   2.294   2.302   1.719
+ 1483TIP3    H250800   2.431   2.247   1.690
+ 1483TIP3   OH250801   2.390   2.061   1.462
+ 1483TIP3    H150802   2.460   2.092   1.521
+ 1483TIP3    H250803   2.440   2.004   1.402
+ 1483TIP3   OH250804   3.112   2.170   2.580
+ 1483TIP3    H150805   3.038   2.234   2.588
+ 1483TIP3    H250806   3.159   2.205   2.502
+ 1483TIP3   OH250807   2.715   2.242   1.862
+ 1483TIP3    H150808   2.644   2.265   1.928
+ 1483TIP3    H250809   2.772   2.186   1.916
+ 1483TIP3   OH250810   2.697   2.099   2.744
+ 1483TIP3    H150811   2.698   2.183   2.792
+ 1483TIP3    H250812   2.621   2.117   2.685
+ 1483TIP3   OH250813   1.873   2.321   2.039
+ 1483TIP3    H150814   1.842   2.274   1.959
+ 1483TIP3    H250815   1.935   2.257   2.078
+ 1483TIP3   OH250816   2.014   2.670   2.310
+ 1483TIP3    H150817   1.998   2.616   2.231
+ 1483TIP3    H250818   2.083   2.616   2.354
+ 1483TIP3   OH250819   1.934   2.220   2.402
+ 1483TIP3    H150820   1.997   2.222   2.329
+ 1483TIP3    H250821   1.979   2.272   2.471
+ 1483TIP3   OH250822   2.533   2.751   2.449
+ 1483TIP3    H150823   2.528   2.814   2.523
+ 1483TIP3    H250824   2.501   2.668   2.488
+ 1483TIP3   OH250825   2.022   2.642   2.880
+ 1483TIP3    H150826   1.957   2.704   2.917
+ 1483TIP3    H250827   1.970   2.596   2.811
+ 1484TIP3   OH250828   2.609   2.187   1.609
+ 1484TIP3    H150829   2.655   2.215   1.691
+ 1484TIP3    H250830   2.658   2.239   1.541
+ 1484TIP3   OH250831   1.703   2.267   2.787
+ 1484TIP3    H150832   1.714   2.326   2.864
+ 1484TIP3    H250833   1.607   2.258   2.782
+ 1484TIP3   OH250834   2.358   2.849   1.963
+ 1484TIP3    H150835   2.397   2.875   2.047
+ 1484TIP3    H250836   2.304   2.925   1.939
+ 1484TIP3   OH250837   1.822   2.855   2.952
+ 1484TIP3    H150838   1.814   2.850   2.855
+ 1484TIP3    H250839   1.735   2.822   2.983
+ 1484TIP3   OH250840   2.954   1.359   1.562
+ 1484TIP3    H150841   2.864   1.369   1.598
+ 1484TIP3    H250842   2.987   1.450   1.564
+ 1484TIP3   OH250843   1.765   2.193   1.795
+ 1484TIP3    H150844   1.743   2.268   1.738
+ 1484TIP3    H250845   1.699   2.128   1.768
+ 1484TIP3   OH250846   3.090   2.774   1.411
+ 1484TIP3    H150847   3.105   2.868   1.436
+ 1484TIP3    H250848   3.176   2.734   1.433
+ 1484TIP3   OH250849   1.368   2.462   2.668
+ 1484TIP3    H150850   1.327   2.460   2.580
+ 1484TIP3    H250851   1.386   2.368   2.685
+ 1484TIP3   OH250852   1.377   2.757   2.359
+ 1484TIP3    H150853   1.467   2.722   2.364
+ 1484TIP3    H250854   1.374   2.811   2.439
+ 1484TIP3   OH250855   3.208   2.818   2.937
+ 1484TIP3    H150856   3.205   2.723   2.915
+ 1484TIP3    H250857   3.119   2.832   2.970
+ 1485TIP3   OH250858   2.275   2.748   2.807
+ 1485TIP3    H150859   2.278   2.824   2.867
+ 1485TIP3    H250860   2.190   2.706   2.834
+ 1485TIP3   OH250861   2.307   3.120   1.815
+ 1485TIP3    H150862   2.308   3.128   1.718
+ 1485TIP3    H250863   2.314   3.212   1.844
+ 1485TIP3   OH250864   1.688   3.034   1.979
+ 1485TIP3    H150865   1.704   2.986   2.063
+ 1485TIP3    H250866   1.607   2.990   1.948
+ 1485TIP3   OH250867   2.638   3.061   1.532
+ 1485TIP3    H150868   2.695   2.995   1.488
+ 1485TIP3    H250869   2.632   3.023   1.622
+ 1485TIP3   OH250870   2.577   3.004   1.814
+ 1485TIP3    H150871   2.481   3.016   1.827
+ 1485TIP3    H250872   2.592   2.929   1.875
+ 1485TIP3   OH250873   2.896   1.952   2.977
+ 1485TIP3    H150874   2.838   1.990   2.909
+ 1485TIP3    H250875   2.896   1.858   2.951
+ 1485TIP3   OH250876   1.602   2.619   2.788
+ 1485TIP3    H150877   1.632   2.569   2.867
+ 1485TIP3    H250878   1.530   2.564   2.754
+ 1485TIP3   OH250879   1.913   1.461   2.365
+ 1485TIP3    H150880   1.829   1.456   2.314
+ 1485TIP3    H250881   1.891   1.536   2.423
+ 1485TIP3   OH250882   2.347   1.418   2.731
+ 1485TIP3    H150883   2.392   1.368   2.802
+ 1485TIP3    H250884   2.253   1.393   2.742
+ 1485TIP3   OH250885   2.667   1.801   2.789
+ 1485TIP3    H150886   2.600   1.785   2.858
+ 1485TIP3    H250887   2.652   1.894   2.765
+ 1486TIP3   OH250888   2.764   2.295   1.410
+ 1486TIP3    H150889   2.743   2.278   1.316
+ 1486TIP3    H250890   2.858   2.320   1.403
+ 1486TIP3   OH250891   2.327   1.669   1.459
+ 1486TIP3    H150892   2.275   1.657   1.540
+ 1486TIP3    H250893   2.284   1.604   1.401
+ 1486TIP3   OH250894   1.893   1.949   2.501
+ 1486TIP3    H150895   1.846   1.959   2.586
+ 1486TIP3    H250896   1.906   2.042   2.475
+ 1486TIP3   OH250897   1.890   1.949   1.997
+ 1486TIP3    H150898   1.794   1.940   1.981
+ 1486TIP3    H250899   1.924   1.930   1.908
+ 1486TIP3   OH250900   2.449   2.005   1.875
+ 1486TIP3    H150901   2.408   2.088   1.843
+ 1486TIP3    H250902   2.517   1.990   1.808
+ 1486TIP3   OH250903   2.373   2.026   3.013
+ 1486TIP3    H150904   2.318   1.953   3.046
+ 1486TIP3    H250905   2.459   2.008   3.055
+ 1486TIP3   OH250906   2.536   1.944   2.153
+ 1486TIP3    H150907   2.505   2.004   2.082
+ 1486TIP3    H250908   2.555   1.865   2.100
+ 1486TIP3   OH250909   1.623   1.959   2.694
+ 1486TIP3    H150910   1.663   1.989   2.776
+ 1486TIP3    H250911   1.595   1.869   2.715
+ 1486TIP3   OH250912   1.970   1.721   1.352
+ 1486TIP3    H150913   1.934   1.682   1.434
+ 1486TIP3    H250914   1.891   1.728   1.297
+ 1486TIP3   OH250915   1.315   1.711   2.057
+ 1486TIP3    H150916   1.376   1.700   2.132
+ 1486TIP3    H250917   1.360   1.667   1.983
+ 1487TIP3   OH250918   1.477   1.749   1.629
+ 1487TIP3    H150919   1.531   1.798   1.563
+ 1487TIP3    H250920   1.407   1.813   1.649
+ 1487TIP3   OH250921   2.456   2.120   2.615
+ 1487TIP3    H150922   2.479   2.044   2.557
+ 1487TIP3    H250923   2.380   2.086   2.666
+ 1487TIP3   OH250924   2.166   1.704   2.099
+ 1487TIP3    H150925   2.071   1.704   2.119
+ 1487TIP3    H250926   2.204   1.695   2.188
+ 1487TIP3   OH250927   1.624   1.833   1.967
+ 1487TIP3    H150928   1.541   1.858   1.923
+ 1487TIP3    H250929   1.650   1.751   1.919
+ 1487TIP3   OH250930   1.987   1.864   1.735
+ 1487TIP3    H150931   2.084   1.875   1.740
+ 1487TIP3    H250932   1.960   1.924   1.664
+ 1487TIP3   OH250933   2.607   1.618   2.401
+ 1487TIP3    H150934   2.544   1.624   2.476
+ 1487TIP3    H250935   2.544   1.590   2.331
+ 1487TIP3   OH250936   1.831   1.989   1.513
+ 1487TIP3    H150937   1.773   1.958   1.442
+ 1487TIP3    H250938   1.913   2.009   1.463
+ 1487TIP3   OH250939   1.696   2.464   3.010
+ 1487TIP3    H150940   1.764   2.470   3.080
+ 1487TIP3    H250941   1.616   2.461   3.066
+ 1487TIP3   OH250942   2.266   1.962   2.280
+ 1487TIP3    H150943   2.342   1.920   2.237
+ 1487TIP3    H250944   2.251   1.903   2.357
+ 1487TIP3   OH250945   1.794   1.600   1.904
+ 1487TIP3    H150946   1.738   1.521   1.913
+ 1487TIP3    H250947   1.872   1.564   1.860
+ 1488TIP3   OH250948   2.164   1.809   2.506
+ 1488TIP3    H150949   2.087   1.868   2.502
+ 1488TIP3    H250950   2.211   1.840   2.586
+ 1488TIP3   OH250951   2.179   2.448   1.696
+ 1488TIP3    H150952   2.103   2.396   1.661
+ 1488TIP3    H250953   2.158   2.453   1.792
+ 1488TIP3   OH250954   2.903   2.363   2.570
+ 1488TIP3    H150955   2.950   2.418   2.504
+ 1488TIP3    H250956   2.816   2.351   2.528
+ 1488TIP3   OH250957   2.594   1.730   1.475
+ 1488TIP3    H150958   2.496   1.728   1.470
+ 1488TIP3    H250959   2.612   1.804   1.536
+ 1488TIP3   OH250960   2.382   2.472   2.860
+ 1488TIP3    H150961   2.322   2.405   2.895
+ 1488TIP3    H250962   2.319   2.534   2.821
+ 1488TIP3   OH250963   2.663   1.914   1.680
+ 1488TIP3    H150964   2.751   1.898   1.718
+ 1488TIP3    H250965   2.672   2.001   1.638
+ 1488TIP3   OH250966   1.687   2.387   2.276
+ 1488TIP3    H150967   1.750   2.377   2.202
+ 1488TIP3    H250968   1.705   2.306   2.328
+ 1488TIP3   OH250969   2.418   2.584   1.586
+ 1488TIP3    H150970   2.394   2.669   1.628
+ 1488TIP3    H250971   2.344   2.527   1.616
+ 1488TIP3   OH250972   1.413   2.217   2.809
+ 1488TIP3    H150973   1.435   2.168   2.891
+ 1488TIP3    H250974   1.360   2.152   2.759
+ 1488TIP3   OH250975   2.114   2.157   3.007
+ 1488TIP3    H150976   2.081   2.166   2.915
+ 1488TIP3    H250977   2.208   2.137   2.988
+ 1489TIP3   OH250978   2.575   2.730   2.773
+ 1489TIP3    H150979   2.481   2.711   2.759
+ 1489TIP3    H250980   2.581   2.725   2.869
+ 1489TIP3   OH250981   3.122   1.911   1.653
+ 1489TIP3    H150982   3.066   1.893   1.574
+ 1489TIP3    H250983   3.134   2.007   1.640
+ 1489TIP3   OH250984   3.169   2.519   2.934
+ 1489TIP3    H150985   3.075   2.538   2.911
+ 1489TIP3    H250986   3.205   2.499   2.846
+ 1489TIP3   OH250987   2.943   2.774   1.663
+ 1489TIP3    H150988   2.919   2.697   1.717
+ 1489TIP3    H250989   2.996   2.735   1.592
+ 1489TIP3   OH250990   2.667   2.308   2.399
+ 1489TIP3    H150991   2.573   2.290   2.378
+ 1489TIP3    H250992   2.710   2.234   2.352
+ 1489TIP3   OH250993   1.930   2.713   1.996
+ 1489TIP3    H150994   1.972   2.800   1.993
+ 1489TIP3    H250995   1.837   2.734   1.981
+ 1489TIP3   OH250996   1.530   2.195   1.466
+ 1489TIP3    H150997   1.587   2.263   1.506
+ 1489TIP3    H250998   1.442   2.222   1.499
+ 1489TIP3   OH250999   2.114   2.484   1.963
+ 1489TIP3    H151000   2.082   2.574   1.981
+ 1489TIP3    H251001   2.047   2.431   2.009
+ 1489TIP3   OH251002   2.128   2.912   2.603
+ 1489TIP3    H151003   2.188   2.983   2.575
+ 1489TIP3    H251004   2.188   2.856   2.655
+ 1489TIP3   OH251005   1.975   3.006   1.925
+ 1489TIP3    H151006   1.880   3.019   1.934
+ 1489TIP3    H251007   2.009   3.094   1.949
+ 1490TIP3   OH251008   2.481   2.491   2.566
+ 1490TIP3    H151009   2.438   2.451   2.644
+ 1490TIP3    H251010   2.544   2.422   2.541
+ 1490TIP3   OH251011   2.688   2.617   1.452
+ 1490TIP3    H151012   2.730   2.569   1.526
+ 1490TIP3    H251013   2.595   2.602   1.475
+ 1490TIP3   OH251014   2.770   2.944   2.802
+ 1490TIP3    H151015   2.695   2.889   2.768
+ 1490TIP3    H251016   2.771   3.018   2.737
+ 1490TIP3   OH251017   3.163   3.041   1.504
+ 1490TIP3    H151018   3.232   3.106   1.481
+ 1490TIP3    H251019   3.085   3.101   1.505
+ 1490TIP3   OH251020   1.550   1.679   2.768
+ 1490TIP3    H151021   1.460   1.705   2.741
+ 1490TIP3    H251022   1.535   1.591   2.807
+ 1490TIP3   OH251023   2.785   2.477   1.688
+ 1490TIP3    H151024   2.756   2.405   1.748
+ 1490TIP3    H251025   2.882   2.474   1.699
+ 1490TIP3   OH251026   1.525   2.855   2.607
+ 1490TIP3    H151027   1.559   2.764   2.620
+ 1490TIP3    H251028   1.550   2.893   2.692
+ 1490TIP3   OH251029   2.112   2.720   1.308
+ 1490TIP3    H151030   2.141   2.640   1.260
+ 1490TIP3    H251031   2.069   2.681   1.386
+ 1490TIP3   OH251032   1.997   2.673   1.578
+ 1490TIP3    H151033   2.045   2.618   1.642
+ 1490TIP3    H251034   2.011   2.763   1.613
+ 1490TIP3   OH251035   1.680   2.416   1.617
+ 1490TIP3    H151036   1.607   2.454   1.672
+ 1490TIP3    H251037   1.728   2.497   1.592
+ 1491TIP3   OH251038   2.451   1.663   2.620
+ 1491TIP3    H151039   2.503   1.693   2.695
+ 1491TIP3    H251040   2.394   1.594   2.660
+ 1491TIP3   OH251041   2.513   1.605   1.748
+ 1491TIP3    H151042   2.526   1.659   1.668
+ 1491TIP3    H251043   2.554   1.660   1.816
+ 1491TIP3   OH251044   2.293   2.837   1.643
+ 1491TIP3    H151045   2.209   2.884   1.659
+ 1491TIP3    H251046   2.326   2.881   1.564
+ 1491TIP3   OH251047   2.255   1.803   1.843
+ 1491TIP3    H151048   2.328   1.868   1.857
+ 1491TIP3    H251049   2.222   1.791   1.933
+ 1491TIP3   OH251050   2.284   1.910   2.755
+ 1491TIP3    H151051   2.291   1.962   2.837
+ 1491TIP3    H251052   2.335   1.832   2.778
+ 1491TIP3   OH251053   2.315   1.508   1.942
+ 1491TIP3    H151054   2.287   1.582   1.999
+ 1491TIP3    H251055   2.382   1.550   1.886
+ 1491TIP3   OH251056   2.012   2.942   1.642
+ 1491TIP3    H151057   2.005   3.024   1.589
+ 1491TIP3    H251058   1.998   2.976   1.733
+ 1491TIP3   OH251059   1.884   1.608   1.589
+ 1491TIP3    H151060   1.884   1.684   1.650
+ 1491TIP3    H251061   1.965   1.561   1.617
+ 1491TIP3   OH251062   2.917   1.696   2.846
+ 1491TIP3    H151063   2.822   1.714   2.834
+ 1491TIP3    H251064   2.940   1.679   2.753
+ 1491TIP3   OH251065   2.770   2.081   2.246
+ 1491TIP3    H151066   2.684   2.041   2.223
+ 1491TIP3    H251067   2.814   2.009   2.295
+ 1492TIP3   OH251068   1.724   2.698   1.495
+ 1492TIP3    H151069   1.799   2.745   1.535
+ 1492TIP3    H251070   1.773   2.646   1.429
+ 1492TIP3   OH251071   1.536   1.918   1.397
+ 1492TIP3    H151072   1.550   2.010   1.425
+ 1492TIP3    H251073   1.442   1.917   1.376
+ 1492TIP3   OH251074   2.870   2.970   2.388
+ 1492TIP3    H151075   2.851   3.049   2.336
+ 1492TIP3    H251076   2.963   2.984   2.410
+ 1492TIP3   OH251077   1.632   1.418   2.283
+ 1492TIP3    H151078   1.613   1.413   2.187
+ 1492TIP3    H251079   1.597   1.333   2.315
+ 1492TIP3   OH251080   1.520   2.769   1.915
+ 1492TIP3    H151081   1.441   2.820   1.937
+ 1492TIP3    H251082   1.557   2.820   1.842
+ 1492TIP3   OH251083   1.459   3.059   3.028
+ 1492TIP3    H151084   1.518   3.030   3.101
+ 1492TIP3    H251085   1.422   2.973   3.000
+ 1492TIP3   OH251086   1.931   2.965   3.207
+ 1492TIP3    H151087   1.998   2.897   3.226
+ 1492TIP3    H251088   1.906   2.940   3.116
+ 1492TIP3   OH251089   2.334   2.890   1.358
+ 1492TIP3    H151090   2.258   2.829   1.349
+ 1492TIP3    H251091   2.405   2.835   1.322
+ 1492TIP3   OH251092   2.571   2.796   3.069
+ 1492TIP3    H151093   2.527   2.712   3.094
+ 1492TIP3    H251094   2.644   2.800   3.133
+ 1492TIP3   OH251095   2.797   2.882   1.369
+ 1492TIP3    H151096   2.810   2.800   1.420
+ 1492TIP3    H251097   2.877   2.884   1.313
+ 1493TIP3   OH251098   1.454   2.421   3.142
+ 1493TIP3    H151099   1.466   2.331   3.107
+ 1493TIP3    H251100   1.379   2.452   3.087
+ 1493TIP3   OH251101   1.877   2.465   1.342
+ 1493TIP3    H151102   1.891   2.405   1.417
+ 1493TIP3    H251103   1.963   2.458   1.297
+ 1493TIP3   OH251104   2.111   2.438   3.076
+ 1493TIP3    H151105   2.092   2.471   2.987
+ 1493TIP3    H251106   2.124   2.343   3.060
+ 1493TIP3   OH251107   2.401   2.597   1.303
+ 1493TIP3    H151108   2.396   2.592   1.400
+ 1493TIP3    H251109   2.396   2.501   1.281
+ 1493TIP3   OH251110   2.661   2.398   2.815
+ 1493TIP3    H151111   2.726   2.464   2.791
+ 1493TIP3    H251112   2.578   2.450   2.817
+ 1493TIP3   OH251113   1.541   2.135   3.057
+ 1493TIP3    H151114   1.615   2.072   3.056
+ 1493TIP3    H251115   1.536   2.155   3.152
+ 1493TIP3   OH251116   1.985   2.273   1.576
+ 1493TIP3    H151117   1.924   2.222   1.631
+ 1493TIP3    H251118   2.015   2.204   1.512
+ 1493TIP3   OH251119   1.906   2.042   2.791
+ 1493TIP3    H151120   1.857   2.118   2.826
+ 1493TIP3    H251121   1.972   2.092   2.738
+ 1493TIP3   OH251122   2.081   2.075   1.402
+ 1493TIP3    H151123   2.075   2.078   1.305
+ 1493TIP3    H251124   2.177   2.069   1.416
+ 1493TIP3   OH251125   2.441   2.319   3.169
+ 1493TIP3    H151126   2.524   2.297   3.124
+ 1493TIP3    H251127   2.411   2.231   3.198
+ 1494TIP3   OH251128   3.033   2.326   1.334
+ 1494TIP3    H151129   3.021   2.283   1.248
+ 1494TIP3    H251130   3.021   2.420   1.309
+ 1494TIP3   OH251131   1.967   1.777   2.915
+ 1494TIP3    H151132   1.972   1.710   2.844
+ 1494TIP3    H251133   1.947   1.858   2.865
+ 1494TIP3   OH251134   2.001   1.620   2.658
+ 1494TIP3    H151135   2.051   1.678   2.597
+ 1494TIP3    H251136   1.909   1.626   2.625
+ 1494TIP3   OH251137   2.614   1.961   3.178
+ 1494TIP3    H151138   2.632   1.868   3.198
+ 1494TIP3    H251139   2.703   1.998   3.174
+ 1494TIP3   OH251140   2.712   2.241   3.030
+ 1494TIP3    H151141   2.674   2.299   2.960
+ 1494TIP3    H251142   2.799   2.224   2.989
+ 1494TIP3   OH251143   1.786   1.963   3.094
+ 1494TIP3    H151144   1.735   1.880   3.093
+ 1494TIP3    H251145   1.869   1.936   3.051
+ 1494TIP3   OH251146   2.079   1.353   2.686
+ 1494TIP3    H151147   2.059   1.448   2.673
+ 1494TIP3    H251148   2.003   1.313   2.638
+ 1494TIP3   OH251149   2.200   1.813   3.073
+ 1494TIP3    H151150   2.165   1.792   3.161
+ 1494TIP3    H251151   2.120   1.796   3.020
+ 1494TIP3   OH251152   2.451   1.716   2.958
+ 1494TIP3    H151153   2.364   1.727   2.999
+ 1494TIP3    H251154   2.496   1.658   3.022
+ 1494TIP3   OH251155   2.640   1.566   3.137
+ 1494TIP3    H151156   2.618   1.472   3.154
+ 1494TIP3    H251157   2.618   1.610   3.221
+ 1495TIP3   OH251158   1.655   1.708   3.078
+ 1495TIP3    H151159   1.645   1.638   3.012
+ 1495TIP3    H251160   1.632   1.661   3.161
+ 1495TIP3   OH251161   2.055   1.308   2.976
+ 1495TIP3    H151162   2.112   1.229   2.984
+ 1495TIP3    H251163   2.053   1.322   2.880
+ 1495TIP3   OH251164   2.152   1.494   3.158
+ 1495TIP3    H151165   2.116   1.434   3.090
+ 1495TIP3    H251166   2.082   1.561   3.165
+ 1495TIP3   OH251167   2.057   3.197   1.512
+ 1495TIP3    H151168   2.153   3.208   1.522
+ 1495TIP3    H251169   2.043   3.242   1.427
+ 1495TIP3   OH251170   1.448   2.638   1.463
+ 1495TIP3    H151171   1.544   2.655   1.478
+ 1495TIP3    H251172   1.450   2.558   1.407
+ 1495TIP3   OH251173   1.346   3.157   1.939
+ 1495TIP3    H151174   1.276   3.118   1.884
+ 1495TIP3    H251175   1.358   3.087   2.007
+ 1495TIP3   OH251176   1.385   2.959   2.137
+ 1495TIP3    H151177   1.358   2.871   2.168
+ 1495TIP3    H251178   1.423   2.992   2.220
+ 1495TIP3   OH251179   3.144   3.082   2.436
+ 1495TIP3    H151180   3.159   3.084   2.531
+ 1495TIP3    H251181   3.227   3.118   2.402
+ 1495TIP3   OH251182   3.130   3.029   2.731
+ 1495TIP3    H151183   3.080   2.958   2.686
+ 1495TIP3    H251184   3.188   2.975   2.787
+ 1495TIP3   OH251185   2.932   2.582   3.150
+ 1495TIP3    H151186   2.847   2.576   3.196
+ 1495TIP3    H251187   2.980   2.652   3.198
+ 1496TIP3   OH251188   3.071   2.463   1.727
+ 1496TIP3    H151189   3.162   2.494   1.745
+ 1496TIP3    H251190   3.061   2.398   1.800
+ 1496TIP3   OH251191   3.117   2.258   1.924
+ 1496TIP3    H151192   3.049   2.202   1.967
+ 1496TIP3    H251193   3.184   2.270   1.994
+ 1496TIP3   OH251194   3.092   2.509   2.425
+ 1496TIP3    H151195   3.151   2.459   2.366
+ 1496TIP3    H251196   3.099   2.599   2.389
+ 1496TIP3   OH251197   2.961   2.801   2.646
+ 1496TIP3    H151198   2.885   2.839   2.694
+ 1496TIP3    H251199   2.917   2.764   2.567
+ 1496TIP3   OH251200   3.144   2.203   1.583
+ 1496TIP3    H151201   3.091   2.230   1.505
+ 1496TIP3    H251202   3.129   2.278   1.643
+ 1496TIP3   OH251203   2.973   1.958   1.410
+ 1496TIP3    H151204   2.995   2.018   1.337
+ 1496TIP3    H251205   2.945   1.877   1.362
+ 1496TIP3   OH251206   2.912   2.071   2.007
+ 1496TIP3    H151207   2.902   1.976   1.990
+ 1496TIP3    H251208   2.872   2.081   2.096
+ 1496TIP3   OH251209   1.395   2.294   2.378
+ 1496TIP3    H151210   1.421   2.299   2.285
+ 1496TIP3    H251211   1.482   2.272   2.419
+ 1496TIP3   OH251212   2.972   2.265   2.922
+ 1496TIP3    H151213   3.045   2.202   2.938
+ 1496TIP3    H251214   3.019   2.347   2.901
+ 1496TIP3   OH251215   3.127   2.075   3.044
+ 1496TIP3    H151216   3.047   2.022   3.020
+ 1496TIP3    H251217   3.197   2.007   3.039
+ 1497TIP3   OH251218   2.917   1.693   1.329
+ 1497TIP3    H151219   2.971   1.641   1.391
+ 1497TIP3    H251220   2.835   1.642   1.320
+ 1497TIP3   OH251221   2.898   1.821   1.826
+ 1497TIP3    H151222   2.922   1.725   1.829
+ 1497TIP3    H251223   2.977   1.858   1.784
+ 1497TIP3   OH251224   2.920   1.878   2.368
+ 1497TIP3    H151225   3.017   1.893   2.366
+ 1497TIP3    H251226   2.903   1.887   2.463
+ 1497TIP3   OH251227   2.935   1.952   2.649
+ 1497TIP3    H151228   2.849   1.989   2.676
+ 1497TIP3    H251229   2.986   2.032   2.630
+ 1497TIP3   OH251230   1.387   1.828   3.019
+ 1497TIP3    H151231   1.480   1.802   3.020
+ 1497TIP3    H251232   1.342   1.742   3.023
+ 1497TIP3   OH251233   3.198   1.369   3.181
+ 1497TIP3    H151234   3.233   1.298   3.123
+ 1497TIP3    H251235   3.195   1.445   3.120
+ 1497TIP3   OH251236   2.946   1.541   1.822
+ 1497TIP3    H151237   2.951   1.511   1.914
+ 1497TIP3    H251238   2.865   1.493   1.791
+ 1497TIP3   OH251239   1.463   1.661   2.298
+ 1497TIP3    H151240   1.509   1.576   2.304
+ 1497TIP3    H251241   1.532   1.721   2.333
+ 1497TIP3   OH251242   1.317   1.929   2.402
+ 1497TIP3    H151243   1.375   1.923   2.324
+ 1497TIP3    H251244   1.356   2.005   2.447
+ 1497TIP3   OH251245   3.130   1.569   3.002
+ 1497TIP3    H151246   3.043   1.613   3.011
+ 1497TIP3    H251247   3.115   1.518   2.921
+ 1498TIP3   OH251248   3.141   1.587   1.492
+ 1498TIP3    H151249   3.172   1.510   1.441
+ 1498TIP3    H251250   3.221   1.643   1.495
+ 1498TIP3   OH251251   1.367   1.569   1.816
+ 1498TIP3    H151252   1.273   1.565   1.790
+ 1498TIP3    H251253   1.409   1.619   1.744
+ 1498TIP3   OH251254   2.830   3.093   2.017
+ 1498TIP3    H151255   2.876   3.065   1.936
+ 1498TIP3    H251256   2.903   3.124   2.072
+ 1498TIP3   OH251257   1.372   1.452   2.623
+ 1498TIP3    H151258   1.300   1.424   2.682
+ 1498TIP3    H251259   1.321   1.503   2.556
+ 1498TIP3   OH251260   1.571   2.760   3.087
+ 1498TIP3    H151261   1.498   2.756   3.023
+ 1498TIP3    H251262   1.524   2.754   3.171
+ 1498TIP3   OH251263   1.853   2.848   2.658
+ 1498TIP3    H151264   1.821   2.932   2.622
+ 1498TIP3    H251265   1.948   2.856   2.637
+ 1498TIP3   OH251266   2.299   2.999   2.964
+ 1498TIP3    H151267   2.318   2.968   3.053
+ 1498TIP3    H251268   2.387   3.028   2.932
+ 1498TIP3   OH251269   2.536   3.136   2.881
+ 1498TIP3    H151270   2.596   3.069   2.845
+ 1498TIP3    H251271   2.575   3.152   2.967
+ 1498TIP3   OH251272   3.009   1.393   2.796
+ 1498TIP3    H151273   2.934   1.423   2.742
+ 1498TIP3    H251274   3.029   1.304   2.760
+ 1498TIP3   OH251275   1.592   3.156   2.691
+ 1498TIP3    H151276   1.532   3.218   2.646
+ 1498TIP3    H251277   1.556   3.157   2.780
+ 1499TIP3   OH251278   1.843   3.129   2.548
+ 1499TIP3    H151279   1.757   3.145   2.591
+ 1499TIP3    H251280   1.844   3.198   2.478
+ 1499TIP3   OH251281   2.317   3.132   2.501
+ 1499TIP3    H151282   2.277   3.174   2.423
+ 1499TIP3    H251283   2.322   3.207   2.563
+ 1499TIP3   OH251284   2.550   3.008   2.599
+ 1499TIP3    H151285   2.465   3.036   2.560
+ 1499TIP3    H251286   2.604   3.087   2.586
+ 1499TIP3   OH251287   2.807   3.176   2.614
+ 1499TIP3    H151288   2.802   3.271   2.590
+ 1499TIP3    H251289   2.830   3.138   2.527
+ 1499TIP3   OH251290   1.550   3.034   2.385
+ 1499TIP3    H151291   1.547   2.984   2.470
+ 1499TIP3    H251292   1.625   2.989   2.341
+ 1499TIP3   OH251293   1.751   2.907   2.231
+ 1499TIP3    H151294   1.736   2.814   2.257
+ 1499TIP3    H251295   1.843   2.921   2.261
+ 1499TIP3   OH251296   2.030   2.956   2.317
+ 1499TIP3    H151297   2.045   2.861   2.296
+ 1499TIP3    H251298   2.034   2.951   2.414
+ 1499TIP3   OH251299   2.366   1.544   2.254
+ 1499TIP3    H151300   2.295   1.480   2.271
+ 1499TIP3    H251301   2.413   1.503   2.181
+ 1499TIP3   OH251302   2.856   1.341   2.292
+ 1499TIP3    H151303   2.931   1.391   2.254
+ 1499TIP3    H251304   2.781   1.376   2.240
+ 1499TIP3   OH251305   3.065   1.454   2.083
+ 1499TIP3    H151306   3.135   1.417   2.027
+ 1499TIP3    H251307   3.093   1.547   2.092
+ 1500TIP3   OH251308   1.594   1.396   2.001
+ 1500TIP3    H151309   1.508   1.391   1.954
+ 1500TIP3    H251310   1.630   1.307   1.982
+ 1500TIP3   OH251311   1.480   1.350   1.598
+ 1500TIP3    H151312   1.513   1.417   1.538
+ 1500TIP3    H251313   1.427   1.400   1.661
+ 1500TIP3   OH251314   2.045   1.395   1.993
+ 1500TIP3    H151315   2.137   1.426   1.985
+ 1500TIP3    H251316   2.036   1.384   2.089
+ 1500TIP3   OH251317   2.611   1.399   2.134
+ 1500TIP3    H151318   2.624   1.395   2.038
+ 1500TIP3    H251319   2.559   1.318   2.150
+ 1500TIP3   OH251320   2.713   1.402   1.733
+ 1500TIP3    H151321   2.632   1.455   1.719
+ 1500TIP3    H251322   2.676   1.313   1.742
+ 1500TIP3   OH251323   1.494   2.961   1.708
+ 1500TIP3    H151324   1.431   2.948   1.636
+ 1500TIP3    H251325   1.493   3.057   1.715
+ 1500TIP3   OH251326   1.650   1.561   1.426
+ 1500TIP3    H151327   1.696   1.484   1.391
+ 1500TIP3    H251328   1.705   1.582   1.503
+ 1500TIP3   OH251329   2.159   1.563   1.695
+ 1500TIP3    H151330   2.188   1.506   1.768
+ 1500TIP3    H251331   2.175   1.650   1.732
+ 1500TIP3   OH251332   2.362   3.144   1.519
+ 1500TIP3    H151333   2.459   3.144   1.515
+ 1500TIP3    H251334   2.342   3.078   1.452
+ 1500TIP3   OH251335   3.013   3.046   1.778
+ 1500TIP3    H151336   2.989   2.961   1.735
+ 1500TIP3    H251337   3.007   3.107   1.703
+ 1501TIP3   OH251338   1.575   1.440   2.958
+ 1501TIP3    H151339   1.535   1.358   2.992
+ 1501TIP3    H251340   1.667   1.426   2.984
+ 1501TIP3   OH251341   1.813   1.378   3.129
+ 1501TIP3    H151342   1.895   1.341   3.090
+ 1501TIP3    H251343   1.778   1.299   3.175
+ 1501TIP3   OH251344   1.639   3.057   1.387
+ 1501TIP3    H151345   1.615   3.082   1.477
+ 1501TIP3    H251346   1.714   2.998   1.402
+ 1501TIP3   OH251347   2.624   1.283   3.137
+ 1501TIP3    H151348   2.621   1.246   3.228
+ 1501TIP3    H251349   2.720   1.288   3.122
+ 1501TIP3   OH251350   2.948   2.967   3.032
+ 1501TIP3    H151351   2.893   2.917   2.969
+ 1501TIP3    H251352   2.953   3.051   2.985
+ 1501TIP3   OH251353   4.214   2.194   2.340
+ 1501TIP3    H151354   4.291   2.224   2.392
+ 1501TIP3    H251355   4.248   2.200   2.250
+ 1501TIP3   OH251356   3.515   2.193   2.503
+ 1501TIP3    H151357   3.513   2.119   2.567
+ 1501TIP3    H251358   3.586   2.247   2.540
+ 1501TIP3   OH251359   3.588   2.655   2.369
+ 1501TIP3    H151360   3.566   2.563   2.344
+ 1501TIP3    H251361   3.681   2.644   2.391
+ 1501TIP3   OH251362   3.280   1.997   1.892
+ 1501TIP3    H151363   3.240   2.085   1.901
+ 1501TIP3    H251364   3.208   1.947   1.851
+ 1501TIP3   OH251365   3.361   2.243   2.079
+ 1501TIP3    H151366   3.375   2.159   2.127
+ 1501TIP3    H251367   3.445   2.253   2.031
+ 1502TIP3   OH251368   4.121   2.489   2.395
+ 1502TIP3    H151369   4.155   2.413   2.346
+ 1502TIP3    H251370   4.195   2.511   2.453
+ 1502TIP3   OH251371   3.747   1.719   2.154
+ 1502TIP3    H151372   3.757   1.806   2.111
+ 1502TIP3    H251373   3.708   1.668   2.079
+ 1502TIP3   OH251374   3.411   1.993   2.203
+ 1502TIP3    H151375   3.474   1.946   2.260
+ 1502TIP3    H251376   3.420   1.944   2.119
+ 1502TIP3   OH251377   3.950   2.129   2.149
+ 1502TIP3    H151378   4.028   2.081   2.182
+ 1502TIP3    H251379   3.902   2.059   2.102
+ 1502TIP3   OH251380   3.627   1.591   2.566
+ 1502TIP3    H151381   3.591   1.642   2.491
+ 1502TIP3    H251382   3.559   1.608   2.635
+ 1502TIP3   OH251383   3.913   2.379   2.577
+ 1502TIP3    H151384   3.845   2.439   2.615
+ 1502TIP3    H251385   3.982   2.443   2.553
+ 1502TIP3   OH251386   3.583   1.803   2.362
+ 1502TIP3    H151387   3.647   1.862   2.409
+ 1502TIP3    H251388   3.641   1.767   2.292
+ 1502TIP3   OH251389   3.717   2.574   2.659
+ 1502TIP3    H151390   3.734   2.668   2.644
+ 1502TIP3    H251391   3.635   2.578   2.711
+ 1502TIP3   OH251392   3.348   2.545   1.741
+ 1502TIP3    H151393   3.327   2.594   1.660
+ 1502TIP3    H251394   3.363   2.616   1.808
+ 1502TIP3   OH251395   4.268   2.240   1.738
+ 1502TIP3    H151396   4.200   2.308   1.724
+ 1502TIP3    H251397   4.329   2.258   1.667
+ 1503TIP3   OH251398   4.289   2.078   1.461
+ 1503TIP3    H151399   4.361   2.069   1.526
+ 1503TIP3    H251400   4.294   1.995   1.412
+ 1503TIP3   OH251401   3.757   2.317   2.042
+ 1503TIP3    H151402   3.728   2.274   1.960
+ 1503TIP3    H251403   3.824   2.254   2.075
+ 1503TIP3   OH251404   3.898   2.660   2.314
+ 1503TIP3    H151405   3.891   2.614   2.230
+ 1503TIP3    H251406   3.973   2.614   2.355
+ 1503TIP3   OH251407   3.814   2.195   2.387
+ 1503TIP3    H151408   3.874   2.197   2.309
+ 1503TIP3    H251409   3.851   2.266   2.443
+ 1503TIP3   OH251410   3.593   2.267   2.786
+ 1503TIP3    H151411   3.603   2.331   2.859
+ 1503TIP3    H251412   3.497   2.259   2.779
+ 1503TIP3   OH251413   4.253   2.842   1.959
+ 1503TIP3    H151414   4.299   2.891   2.029
+ 1503TIP3    H251415   4.200   2.912   1.917
+ 1503TIP3   OH251416   3.711   2.860   2.960
+ 1503TIP3    H151417   3.734   2.825   2.872
+ 1503TIP3    H251418   3.635   2.806   2.985
+ 1503TIP3   OH251419   3.650   2.192   1.794
+ 1503TIP3    H151420   3.631   2.269   1.739
+ 1503TIP3    H251421   3.582   2.129   1.766
+ 1503TIP3   OH251422   3.256   2.460   2.666
+ 1503TIP3    H151423   3.209   2.460   2.580
+ 1503TIP3    H251424   3.268   2.365   2.683
+ 1503TIP3   OH251425   3.265   2.760   2.358
+ 1503TIP3    H151426   3.354   2.723   2.368
+ 1503TIP3    H251427   3.255   2.812   2.439
+ 1504TIP3   OH251428   4.181   3.121   1.813
+ 1504TIP3    H151429   4.204   3.120   1.719
+ 1504TIP3    H251430   4.210   3.208   1.843
+ 1504TIP3   OH251431   3.573   3.035   1.979
+ 1504TIP3    H151432   3.587   2.986   2.062
+ 1504TIP3    H251433   3.492   2.994   1.945
+ 1504TIP3   OH251434   3.466   2.622   2.799
+ 1504TIP3    H151435   3.503   2.567   2.871
+ 1504TIP3    H251436   3.403   2.561   2.755
+ 1504TIP3   OH251437   3.825   1.452   2.350
+ 1504TIP3    H151438   3.739   1.444   2.307
+ 1504TIP3    H251439   3.812   1.532   2.403
+ 1504TIP3   OH251440   4.234   1.393   2.792
+ 1504TIP3    H151441   4.243   1.324   2.859
+ 1504TIP3    H251442   4.142   1.379   2.763
+ 1504TIP3   OH251443   4.227   1.679   1.459
+ 1504TIP3    H151444   4.171   1.663   1.535
+ 1504TIP3    H251445   4.197   1.609   1.399
+ 1504TIP3   OH251446   3.780   1.941   2.509
+ 1504TIP3    H151447   3.720   1.954   2.584
+ 1504TIP3    H251448   3.788   2.032   2.472
+ 1504TIP3   OH251449   3.774   1.946   1.998
+ 1504TIP3    H151450   3.678   1.940   1.982
+ 1504TIP3    H251451   3.808   1.933   1.908
+ 1504TIP3   OH251452   4.248   2.033   1.911
+ 1504TIP3    H151453   4.239   2.121   1.868
+ 1504TIP3    H251454   4.343   2.020   1.891
+ 1504TIP3   OH251455   4.258   2.029   3.030
+ 1504TIP3    H151456   4.197   1.953   3.042
+ 1504TIP3    H251457   4.343   1.983   3.027
+ 1505TIP3   OH251458   3.516   1.958   2.693
+ 1505TIP3    H151459   3.542   1.990   2.780
+ 1505TIP3    H251460   3.482   1.869   2.713
+ 1505TIP3   OH251461   3.863   1.719   1.351
+ 1505TIP3    H151462   3.820   1.682   1.430
+ 1505TIP3    H251463   3.788   1.737   1.293
+ 1505TIP3   OH251464   3.200   1.705   2.057
+ 1505TIP3    H151465   3.261   1.701   2.133
+ 1505TIP3    H251466   3.250   1.667   1.984
+ 1505TIP3   OH251467   3.361   1.749   1.629
+ 1505TIP3    H151468   3.413   1.798   1.562
+ 1505TIP3    H251469   3.289   1.813   1.646
+ 1505TIP3   OH251470   4.353   2.069   2.629
+ 1505TIP3    H151471   4.370   2.013   2.551
+ 1505TIP3    H251472   4.271   2.030   2.663
+ 1505TIP3   OH251473   4.045   1.673   2.120
+ 1505TIP3    H151474   3.952   1.698   2.128
+ 1505TIP3    H251475   4.086   1.737   2.182
+ 1505TIP3   OH251476   3.507   1.831   1.968
+ 1505TIP3    H151477   3.426   1.860   1.922
+ 1505TIP3    H251478   3.534   1.752   1.918
+ 1505TIP3   OH251479   3.875   1.860   1.731
+ 1505TIP3    H151480   3.969   1.883   1.738
+ 1505TIP3    H251481   3.841   1.921   1.663
+ 1505TIP3   OH251482   3.724   1.985   1.513
+ 1505TIP3    H151483   3.661   1.963   1.443
+ 1505TIP3    H251484   3.803   2.004   1.462
+ 1505TIP3   OH251485   3.579   2.465   3.009
+ 1505TIP3    H151486   3.650   2.471   3.076
+ 1505TIP3    H251487   3.501   2.458   3.068
+ 1506TIP3   OH251488   4.142   1.898   2.244
+ 1506TIP3    H151489   4.232   1.901   2.209
+ 1506TIP3    H251490   4.160   1.917   2.338
+ 1506TIP3   OH251491   3.687   1.602   1.905
+ 1506TIP3    H151492   3.625   1.527   1.913
+ 1506TIP3    H251493   3.756   1.567   1.847
+ 1506TIP3   OH251494   4.049   1.795   2.515
+ 1506TIP3    H151495   3.981   1.862   2.496
+ 1506TIP3    H251496   4.099   1.837   2.588
+ 1506TIP3   OH251497   4.072   2.433   1.700
+ 1506TIP3    H151498   3.994   2.387   1.664
+ 1506TIP3    H251499   4.049   2.443   1.795
+ 1506TIP3   OH251500   3.579   2.388   2.280
+ 1506TIP3    H151501   3.635   2.378   2.200
+ 1506TIP3    H251502   3.589   2.301   2.322
+ 1506TIP3   OH251503   4.287   2.575   1.597
+ 1506TIP3    H151504   4.260   2.664   1.627
+ 1506TIP3    H251505   4.211   2.522   1.629
+ 1506TIP3   OH251506   3.303   2.215   2.806
+ 1506TIP3    H151507   3.320   2.169   2.891
+ 1506TIP3    H251508   3.243   2.154   2.760
+ 1506TIP3   OH251509   4.001   2.152   3.011
+ 1506TIP3    H151510   3.968   2.135   2.921
+ 1506TIP3    H251511   4.097   2.145   2.997
+ 1506TIP3   OH251512   3.814   2.714   2.003
+ 1506TIP3    H151513   3.858   2.800   1.992
+ 1506TIP3    H251514   3.723   2.735   1.979
+ 1506TIP3   OH251515   3.416   2.194   1.466
+ 1506TIP3    H151516   3.473   2.263   1.505
+ 1506TIP3    H251517   3.328   2.221   1.498
+ 1507TIP3   OH251518   3.994   2.483   1.962
+ 1507TIP3    H151519   3.969   2.575   1.981
+ 1507TIP3    H251520   3.925   2.434   2.009
+ 1507TIP3   OH251521   4.016   2.916   2.608
+ 1507TIP3    H151522   4.090   2.974   2.582
+ 1507TIP3    H251523   4.061   2.849   2.664
+ 1507TIP3   OH251524   3.859   3.005   1.928
+ 1507TIP3    H151525   3.764   3.021   1.934
+ 1507TIP3    H251526   3.896   3.093   1.948
+ 1507TIP3   OH251527   3.438   1.677   2.764
+ 1507TIP3    H151528   3.347   1.704   2.740
+ 1507TIP3    H251529   3.422   1.591   2.807
+ 1507TIP3   OH251530   3.410   2.859   2.606
+ 1507TIP3    H151531   3.442   2.768   2.608
+ 1507TIP3    H251532   3.443   2.889   2.691
+ 1507TIP3   OH251533   3.994   2.724   1.309
+ 1507TIP3    H151534   4.028   2.648   1.258
+ 1507TIP3    H251535   3.957   2.679   1.387
+ 1507TIP3   OH251536   3.886   2.667   1.584
+ 1507TIP3    H151537   3.934   2.616   1.651
+ 1507TIP3    H251538   3.899   2.759   1.614
+ 1507TIP3   OH251539   3.566   2.415   1.620
+ 1507TIP3    H151540   3.493   2.454   1.672
+ 1507TIP3    H251541   3.613   2.496   1.591
+ 1507TIP3   OH251542   4.334   1.707   2.671
+ 1507TIP3    H151543   4.404   1.642   2.679
+ 1507TIP3    H251544   4.267   1.659   2.621
+ 1507TIP3   OH251545   4.169   2.834   1.636
+ 1507TIP3    H151546   4.089   2.884   1.657
+ 1507TIP3    H251547   4.209   2.889   1.567
+ 1508TIP3   OH251548   4.147   1.793   1.842
+ 1508TIP3    H151549   4.194   1.878   1.856
+ 1508TIP3    H251550   4.112   1.782   1.932
+ 1508TIP3   OH251551   4.163   1.895   2.760
+ 1508TIP3    H151552   4.180   1.947   2.839
+ 1508TIP3    H251553   4.234   1.828   2.762
+ 1508TIP3   OH251554   4.189   1.500   1.960
+ 1508TIP3    H151555   4.169   1.582   2.011
+ 1508TIP3    H251556   4.273   1.526   1.917
+ 1508TIP3   OH251557   3.894   2.940   1.641
+ 1508TIP3    H151558   3.890   3.021   1.587
+ 1508TIP3    H251559   3.882   2.975   1.732
+ 1508TIP3   OH251560   3.768   1.607   1.590
+ 1508TIP3    H151561   3.772   1.688   1.645
+ 1508TIP3    H251562   3.853   1.565   1.611
+ 1508TIP3   OH251563   3.611   2.696   1.497
+ 1508TIP3    H151564   3.684   2.746   1.536
+ 1508TIP3    H251565   3.660   2.646   1.429
+ 1508TIP3   OH251566   3.424   1.915   1.410
+ 1508TIP3    H151567   3.434   2.010   1.431
+ 1508TIP3    H251568   3.339   1.914   1.364
+ 1508TIP3   OH251569   3.531   1.416   2.286
+ 1508TIP3    H151570   3.506   1.419   2.191
+ 1508TIP3    H251571   3.487   1.335   2.317
+ 1508TIP3   OH251572   3.407   2.769   1.915
+ 1508TIP3    H151573   3.327   2.819   1.938
+ 1508TIP3    H251574   3.442   2.821   1.841
+ 1508TIP3   OH251575   3.343   3.060   3.031
+ 1508TIP3    H151576   3.407   3.027   3.097
+ 1508TIP3    H251577   3.308   2.975   2.996
+ 1509TIP3   OH251578   3.833   2.982   3.198
+ 1509TIP3    H151579   3.884   2.904   3.227
+ 1509TIP3    H251580   3.798   2.946   3.114
+ 1509TIP3   OH251581   4.230   2.888   1.341
+ 1509TIP3    H151582   4.147   2.837   1.341
+ 1509TIP3    H251583   4.293   2.815   1.326
+ 1509TIP3   OH251584   3.339   2.424   3.142
+ 1509TIP3    H151585   3.351   2.332   3.110
+ 1509TIP3    H251586   3.264   2.452   3.086
+ 1509TIP3   OH251587   3.763   2.465   1.342
+ 1509TIP3    H151588   3.779   2.405   1.417
+ 1509TIP3    H251589   3.848   2.461   1.295
+ 1509TIP3   OH251590   3.981   2.444   3.071
+ 1509TIP3    H151591   4.008   2.485   2.987
+ 1509TIP3    H251592   4.012   2.352   3.059
+ 1509TIP3   OH251593   4.262   2.596   1.298
+ 1509TIP3    H151594   4.276   2.606   1.393
+ 1509TIP3    H251595   4.243   2.501   1.291
+ 1509TIP3   OH251596   3.427   2.136   3.058
+ 1509TIP3    H151597   3.500   2.072   3.058
+ 1509TIP3    H251598   3.422   2.156   3.153
+ 1509TIP3   OH251599   3.871   2.270   1.574
+ 1509TIP3    H151600   3.808   2.220   1.628
+ 1509TIP3    H251601   3.902   2.201   1.512
+ 1509TIP3   OH251602   3.795   2.051   2.802
+ 1509TIP3    H151603   3.739   2.128   2.822
+ 1509TIP3    H251604   3.850   2.086   2.731
+ 1509TIP3   OH251605   3.979   2.071   1.404
+ 1509TIP3    H151606   3.969   2.078   1.307
+ 1509TIP3    H251607   4.075   2.085   1.414
+ 1510TIP3   OH251608   4.275   2.298   3.176
+ 1510TIP3    H151609   4.350   2.279   3.119
+ 1510TIP3    H251610   4.268   2.215   3.226
+ 1510TIP3   OH251611   3.858   1.780   2.917
+ 1510TIP3    H151612   3.862   1.714   2.845
+ 1510TIP3    H251613   3.838   1.862   2.868
+ 1510TIP3   OH251614   3.887   1.621   2.657
+ 1510TIP3    H151615   3.936   1.683   2.599
+ 1510TIP3    H251616   3.795   1.625   2.622
+ 1510TIP3   OH251617   4.073   2.171   2.694
+ 1510TIP3    H151618   4.134   2.167   2.619
+ 1510TIP3    H251619   4.025   2.253   2.675
+ 1510TIP3   OH251620   3.674   1.961   3.097
+ 1510TIP3    H151621   3.620   1.880   3.094
+ 1510TIP3    H251622   3.754   1.933   3.049
+ 1510TIP3   OH251623   3.973   1.361   2.693
+ 1510TIP3    H151624   3.948   1.455   2.678
+ 1510TIP3    H251625   3.904   1.316   2.641
+ 1510TIP3   OH251626   4.106   1.805   3.071
+ 1510TIP3    H151627   4.064   1.783   3.156
+ 1510TIP3    H251628   4.032   1.786   3.010
+ 1510TIP3   OH251629   3.539   1.708   3.076
+ 1510TIP3    H151630   3.530   1.637   3.011
+ 1510TIP3    H251631   3.518   1.661   3.160
+ 1510TIP3   OH251632   3.944   1.308   2.979
+ 1510TIP3    H151633   4.004   1.232   2.983
+ 1510TIP3    H251634   3.941   1.324   2.883
+ 1510TIP3   OH251635   4.036   1.488   3.172
+ 1510TIP3    H151636   4.005   1.433   3.097
+ 1510TIP3    H251637   3.973   1.562   3.170
+ 1511TIP3   OH251638   3.956   3.194   1.513
+ 1511TIP3    H151639   4.052   3.202   1.520
+ 1511TIP3    H251640   3.940   3.243   1.431
+ 1511TIP3   OH251641   3.334   2.637   1.465
+ 1511TIP3    H151642   3.430   2.655   1.478
+ 1511TIP3    H251643   3.336   2.558   1.407
+ 1511TIP3   OH251644   3.233   3.157   1.938
+ 1511TIP3    H151645   3.162   3.119   1.882
+ 1511TIP3    H251646   3.244   3.088   2.006
+ 1511TIP3   OH251647   3.272   2.959   2.135
+ 1511TIP3    H151648   3.244   2.871   2.167
+ 1511TIP3    H251649   3.302   2.997   2.219
+ 1511TIP3   OH251650   3.280   2.292   2.376
+ 1511TIP3    H151651   3.306   2.298   2.283
+ 1511TIP3    H251652   3.367   2.271   2.417
+ 1511TIP3   OH251653   3.273   1.828   3.014
+ 1511TIP3    H151654   3.366   1.801   3.022
+ 1511TIP3    H251655   3.227   1.742   3.024
+ 1511TIP3   OH251656   3.351   1.658   2.296
+ 1511TIP3    H151657   3.399   1.575   2.307
+ 1511TIP3    H251658   3.415   1.722   2.332
+ 1511TIP3   OH251659   3.205   1.927   2.403
+ 1511TIP3    H151660   3.260   1.928   2.323
+ 1511TIP3    H251661   3.238   2.005   2.449
+ 1511TIP3   OH251662   3.252   1.563   1.808
+ 1511TIP3    H151663   3.157   1.567   1.788
+ 1511TIP3    H251664   3.292   1.623   1.742
+ 1511TIP3   OH251665   3.255   1.448   2.621
+ 1511TIP3    H151666   3.185   1.425   2.683
+ 1511TIP3    H251667   3.207   1.505   2.559
+ 1512TIP3   OH251668   3.452   2.777   3.093
+ 1512TIP3    H151669   3.391   2.754   3.022
+ 1512TIP3    H251670   3.406   2.745   3.172
+ 1512TIP3   OH251671   3.736   2.870   2.648
+ 1512TIP3    H151672   3.716   2.960   2.623
+ 1512TIP3    H251673   3.834   2.870   2.641
+ 1512TIP3   OH251674   4.195   3.034   2.949
+ 1512TIP3    H151675   4.173   2.947   2.984
+ 1512TIP3    H251676   4.288   3.021   2.927
+ 1512TIP3   OH251677   3.486   3.170   2.688
+ 1512TIP3    H151678   3.413   3.217   2.644
+ 1512TIP3    H251679   3.445   3.150   2.773
+ 1512TIP3   OH251680   3.737   3.200   2.530
+ 1512TIP3    H151681   3.661   3.164   2.580
+ 1512TIP3    H251682   3.697   3.212   2.443
+ 1512TIP3   OH251683   4.189   3.122   2.502
+ 1512TIP3    H151684   4.180   3.171   2.419
+ 1512TIP3    H251685   4.266   3.164   2.542
+ 1512TIP3   OH251686   3.448   3.046   2.390
+ 1512TIP3    H151687   3.436   2.989   2.469
+ 1512TIP3    H251688   3.510   2.992   2.338
+ 1512TIP3   OH251689   3.635   2.906   2.237
+ 1512TIP3    H151690   3.622   2.812   2.261
+ 1512TIP3    H251691   3.728   2.918   2.263
+ 1512TIP3   OH251692   3.910   2.959   2.325
+ 1512TIP3    H151693   3.934   2.870   2.293
+ 1512TIP3    H251694   3.932   2.949   2.419
+ 1512TIP3   OH251695   4.250   1.463   2.264
+ 1512TIP3    H151696   4.165   1.507   2.258
+ 1512TIP3    H251697   4.297   1.504   2.190
+ 1513TIP3   OH251698   3.481   1.416   2.005
+ 1513TIP3    H151699   3.395   1.405   1.960
+ 1513TIP3    H251700   3.521   1.328   1.990
+ 1513TIP3   OH251701   3.367   1.363   1.595
+ 1513TIP3    H151702   3.413   1.430   1.540
+ 1513TIP3    H251703   3.319   1.418   1.658
+ 1513TIP3   OH251704   3.942   1.381   2.012
+ 1513TIP3    H151705   4.019   1.439   1.997
+ 1513TIP3    H251706   3.910   1.411   2.098
+ 1513TIP3   OH251707   3.381   2.961   1.709
+ 1513TIP3    H151708   3.317   2.947   1.637
+ 1513TIP3    H251709   3.378   3.057   1.716
+ 1513TIP3   OH251710   3.532   1.545   1.435
+ 1513TIP3    H151711   3.593   1.492   1.382
+ 1513TIP3    H251712   3.592   1.580   1.504
+ 1513TIP3   OH251713   4.061   1.565   1.694
+ 1513TIP3    H151714   4.069   1.510   1.773
+ 1513TIP3    H251715   4.060   1.654   1.733
+ 1513TIP3   OH251716   4.265   3.123   1.518
+ 1513TIP3    H151717   4.351   3.162   1.498
+ 1513TIP3    H251718   4.248   3.066   1.441
+ 1513TIP3   OH251719   3.461   1.439   2.955
+ 1513TIP3    H151720   3.420   1.359   2.992
+ 1513TIP3    H251721   3.553   1.427   2.984
+ 1513TIP3   OH251722   3.699   1.377   3.130
+ 1513TIP3    H151723   3.781   1.341   3.092
+ 1513TIP3    H251724   3.662   1.298   3.173
+ 1513TIP3   OH251725   3.523   3.055   1.387
+ 1513TIP3    H151726   3.500   3.083   1.477
+ 1513TIP3    H251727   3.600   2.998   1.402
+ 1514TIP3   OH251728  -3.159   4.202   2.012
+ 1514TIP3    H151729  -3.187   4.295   2.013
+ 1514TIP3    H251730  -3.233   4.162   1.965
+ 1514TIP3   OH251731  -3.280   4.133   2.340
+ 1514TIP3    H151732  -3.275   4.080   2.421
+ 1514TIP3    H251733  -3.304   4.068   2.273
+ 1514TIP3   OH251734  -4.021   4.075   2.497
+ 1514TIP3    H151735  -4.034   4.008   2.566
+ 1514TIP3    H251736  -3.970   4.140   2.546
+ 1514TIP3   OH251737  -4.212   3.903   1.785
+ 1514TIP3    H151738  -4.245   3.988   1.817
+ 1514TIP3    H251739  -4.293   3.854   1.770
+ 1514TIP3   OH251740  -4.194   4.120   2.052
+ 1514TIP3    H151741  -4.195   4.057   2.125
+ 1514TIP3    H251742  -4.100   4.143   2.051
+ 1514TIP3   OH251743  -2.559   3.521   2.458
+ 1514TIP3    H151744  -2.536   3.584   2.528
+ 1514TIP3    H251745  -2.500   3.551   2.387
+ 1514TIP3   OH251746  -3.095   3.803   2.445
+ 1514TIP3    H151747  -3.084   3.706   2.449
+ 1514TIP3    H251748  -3.103   3.817   2.350
+ 1514TIP3   OH251749  -3.796   3.605   2.151
+ 1514TIP3    H151750  -3.784   3.692   2.108
+ 1514TIP3    H251751  -3.836   3.554   2.078
+ 1514TIP3   OH251752  -3.030   3.597   1.961
+ 1514TIP3    H151753  -2.966   3.569   2.029
+ 1514TIP3    H251754  -2.976   3.654   1.904
+ 1514TIP3   OH251755  -4.145   3.874   2.203
+ 1514TIP3    H151756  -4.080   3.843   2.269
+ 1514TIP3    H251757  -4.117   3.822   2.125
+ 1515TIP3   OH251758  -3.587   4.017   2.148
+ 1515TIP3    H151759  -3.520   3.959   2.189
+ 1515TIP3    H251760  -3.645   3.953   2.104
+ 1515TIP3   OH251761  -2.487   3.659   2.706
+ 1515TIP3    H151762  -2.544   3.732   2.676
+ 1515TIP3    H251763  -2.507   3.658   2.801
+ 1515TIP3   OH251764  -3.919   3.485   2.568
+ 1515TIP3    H151765  -3.960   3.537   2.497
+ 1515TIP3    H251766  -3.981   3.503   2.642
+ 1515TIP3   OH251767  -3.647   4.266   2.546
+ 1515TIP3    H151768  -3.728   4.317   2.556
+ 1515TIP3    H251769  -3.582   4.338   2.539
+ 1515TIP3   OH251770  -2.839   3.544   2.183
+ 1515TIP3    H151771  -2.881   3.494   2.254
+ 1515TIP3    H251772  -2.786   3.609   2.233
+ 1515TIP3   OH251773  -3.959   3.689   2.362
+ 1515TIP3    H151774  -3.897   3.748   2.410
+ 1515TIP3    H251775  -3.899   3.654   2.292
+ 1515TIP3   OH251776  -2.819   3.456   2.570
+ 1515TIP3    H151777  -2.895   3.501   2.530
+ 1515TIP3    H251778  -2.746   3.481   2.510
+ 1515TIP3   OH251779  -3.503   3.233   2.276
+ 1515TIP3    H151780  -3.530   3.139   2.273
+ 1515TIP3    H251781  -3.585   3.274   2.313
+ 1515TIP3   OH251782  -3.308   4.143   1.751
+ 1515TIP3    H151783  -3.372   4.179   1.688
+ 1515TIP3    H251784  -3.229   4.135   1.694
+ 1515TIP3   OH251785  -3.269   3.941   1.471
+ 1515TIP3    H151786  -3.197   3.980   1.524
+ 1515TIP3    H251787  -3.216   3.890   1.407
+ 1516TIP3   OH251788  -2.555   4.055   2.576
+ 1516TIP3    H151789  -2.620   4.127   2.589
+ 1516TIP3    H251790  -2.504   4.094   2.502
+ 1516TIP3   OH251791  -2.937   4.139   1.852
+ 1516TIP3    H151792  -3.001   4.162   1.922
+ 1516TIP3    H251793  -2.869   4.090   1.901
+ 1516TIP3   OH251794  -2.963   3.980   2.744
+ 1516TIP3    H151795  -2.960   4.056   2.805
+ 1516TIP3    H251796  -3.018   4.018   2.674
+ 1516TIP3   OH251797  -3.771   4.217   2.042
+ 1516TIP3    H151798  -3.799   4.183   1.955
+ 1516TIP3    H251799  -3.701   4.154   2.067
+ 1516TIP3   OH251800  -3.729   4.073   2.380
+ 1516TIP3    H151801  -3.667   4.079   2.305
+ 1516TIP3    H251802  -3.697   4.144   2.440
+ 1516TIP3   OH251803  -3.058   4.080   1.614
+ 1516TIP3    H151804  -2.999   4.102   1.689
+ 1516TIP3    H251805  -3.007   4.122   1.539
+ 1516TIP3   OH251806  -3.950   4.150   2.778
+ 1516TIP3    H151807  -3.949   4.205   2.859
+ 1516TIP3    H251808  -4.046   4.142   2.766
+ 1516TIP3   OH251809  -2.725   3.255   1.546
+ 1516TIP3    H151810  -2.794   3.262   1.613
+ 1516TIP3    H251811  -2.677   3.338   1.558
+ 1516TIP3   OH251812  -3.894   4.085   1.794
+ 1516TIP3    H151813  -3.911   4.164   1.740
+ 1516TIP3    H251814  -3.964   4.025   1.764
+ 1516TIP3   OH251815  -4.221   4.264   2.669
+ 1516TIP3    H151816  -4.257   4.320   2.599
+ 1516TIP3    H251817  -4.287   4.268   2.739
+ 1517TIP3   OH251818  -2.763   3.838   2.978
+ 1517TIP3    H151819  -2.815   3.875   2.906
+ 1517TIP3    H251820  -2.759   3.744   2.951
+ 1517TIP3   OH251821  -3.748   3.348   2.365
+ 1517TIP3    H151822  -3.833   3.340   2.319
+ 1517TIP3    H251823  -3.768   3.421   2.426
+ 1517TIP3   OH251824  -3.311   3.303   2.729
+ 1517TIP3    H151825  -3.260   3.254   2.797
+ 1517TIP3    H251826  -3.403   3.275   2.746
+ 1517TIP3   OH251827  -2.994   3.685   2.783
+ 1517TIP3    H151828  -3.055   3.670   2.859
+ 1517TIP3    H251829  -3.002   3.781   2.767
+ 1517TIP3   OH251830  -2.910   4.175   1.410
+ 1517TIP3    H151831  -2.914   4.159   1.314
+ 1517TIP3    H251832  -2.822   4.219   1.413
+ 1517TIP3   OH251833  -3.332   3.544   1.459
+ 1517TIP3    H151834  -3.398   3.563   1.527
+ 1517TIP3    H251835  -3.383   3.493   1.395
+ 1517TIP3   OH251836  -3.762   3.826   2.512
+ 1517TIP3    H151837  -3.826   3.837   2.585
+ 1517TIP3    H251838  -3.757   3.917   2.474
+ 1517TIP3   OH251839  -3.770   3.832   1.997
+ 1517TIP3    H151840  -3.866   3.831   1.979
+ 1517TIP3    H251841  -3.735   3.819   1.907
+ 1517TIP3   OH251842  -3.208   3.897   1.875
+ 1517TIP3    H151843  -3.251   3.976   1.838
+ 1517TIP3    H251844  -3.137   3.881   1.810
+ 1517TIP3   OH251845  -3.286   3.920   3.016
+ 1517TIP3    H151846  -3.337   3.844   3.050
+ 1517TIP3    H251847  -3.198   3.905   3.055
+ 1518TIP3   OH251848  -3.119   3.819   2.146
+ 1518TIP3    H151849  -3.147   3.878   2.073
+ 1518TIP3    H251850  -3.103   3.737   2.096
+ 1518TIP3   OH251851  -4.007   3.834   2.688
+ 1518TIP3    H151852  -4.029   3.895   2.761
+ 1518TIP3    H251853  -4.047   3.752   2.721
+ 1518TIP3   OH251854  -3.685   3.598   1.353
+ 1518TIP3    H151855  -3.731   3.562   1.431
+ 1518TIP3    H251856  -3.759   3.623   1.296
+ 1518TIP3   OH251857  -4.326   3.602   2.060
+ 1518TIP3    H151858  -4.296   3.584   2.152
+ 1518TIP3    H251859  -4.279   3.536   2.010
+ 1518TIP3   OH251860  -4.207   3.642   1.638
+ 1518TIP3    H151861  -4.148   3.674   1.567
+ 1518TIP3    H251862  -4.291   3.683   1.612
+ 1518TIP3   OH251863  -3.225   3.997   2.595
+ 1518TIP3    H151864  -3.170   3.930   2.548
+ 1518TIP3    H251865  -3.252   3.947   2.673
+ 1518TIP3   OH251866  -3.502   3.590   2.089
+ 1518TIP3    H151867  -3.593   3.594   2.125
+ 1518TIP3    H251868  -3.449   3.576   2.170
+ 1518TIP3   OH251869  -4.043   3.719   1.964
+ 1518TIP3    H151870  -4.113   3.741   1.900
+ 1518TIP3    H251871  -4.007   3.637   1.927
+ 1518TIP3   OH251872  -3.664   3.739   1.726
+ 1518TIP3    H151873  -3.571   3.764   1.742
+ 1518TIP3    H251874  -3.696   3.807   1.664
+ 1518TIP3   OH251875  -3.057   3.501   2.397
+ 1518TIP3    H151876  -3.117   3.505   2.474
+ 1518TIP3    H251877  -3.121   3.477   2.327
+ 1519TIP3   OH251878  -3.823   3.872   1.514
+ 1519TIP3    H151879  -3.883   3.845   1.443
+ 1519TIP3    H251880  -3.743   3.896   1.464
+ 1519TIP3   OH251881  -3.963   4.308   2.999
+ 1519TIP3    H151882  -3.898   4.357   3.054
+ 1519TIP3    H251883  -4.040   4.306   3.059
+ 1519TIP3   OH251884  -3.387   3.845   2.277
+ 1519TIP3    H151885  -3.310   3.803   2.236
+ 1519TIP3    H251886  -3.401   3.789   2.356
+ 1519TIP3   OH251887  -3.872   3.483   1.910
+ 1519TIP3    H151888  -3.922   3.400   1.911
+ 1519TIP3    H251889  -3.798   3.463   1.853
+ 1519TIP3   OH251890  -3.491   3.695   2.506
+ 1519TIP3    H151891  -3.569   3.753   2.507
+ 1519TIP3    H251892  -3.442   3.723   2.586
+ 1519TIP3   OH251893  -3.530   4.365   1.728
+ 1519TIP3    H151894  -3.557   4.302   1.658
+ 1519TIP3    H251895  -3.463   4.319   1.779
+ 1519TIP3   OH251896  -2.730   4.266   2.564
+ 1519TIP3    H151897  -2.705   4.312   2.481
+ 1519TIP3    H251898  -2.826   4.256   2.545
+ 1519TIP3   OH251899  -3.078   3.558   1.541
+ 1519TIP3    H151900  -3.163   3.587   1.502
+ 1519TIP3    H251901  -3.040   3.644   1.569
+ 1519TIP3   OH251902  -2.988   3.802   1.684
+ 1519TIP3    H151903  -2.898   3.789   1.719
+ 1519TIP3    H251904  -2.977   3.883   1.631
+ 1519TIP3   OH251905  -3.974   4.214   2.227
+ 1519TIP3    H151906  -3.886   4.233   2.188
+ 1519TIP3    H251907  -3.950   4.167   2.309
+ 1520TIP3   OH251908  -4.207   4.017   2.811
+ 1520TIP3    H151909  -4.232   4.053   2.898
+ 1520TIP3    H251910  -4.280   4.050   2.756
+ 1520TIP3   OH251911  -3.541   4.051   3.007
+ 1520TIP3    H151912  -3.580   4.026   2.921
+ 1520TIP3    H251913  -3.447   4.028   2.993
+ 1520TIP3   OH251914  -2.537   3.800   1.654
+ 1520TIP3    H151915  -2.591   3.787   1.573
+ 1520TIP3    H251916  -2.521   3.897   1.642
+ 1520TIP3   OH251917  -2.989   4.180   2.432
+ 1520TIP3    H151918  -3.080   4.183   2.398
+ 1520TIP3    H251919  -2.941   4.135   2.361
+ 1520TIP3   OH251920  -4.158   4.098   1.477
+ 1520TIP3    H151921  -4.084   4.149   1.514
+ 1520TIP3    H251922  -4.230   4.162   1.492
+ 1520TIP3   OH251923  -4.104   3.565   2.763
+ 1520TIP3    H151924  -4.185   3.618   2.769
+ 1520TIP3    H251925  -4.124   3.485   2.815
+ 1520TIP3   OH251926  -3.959  -4.393   1.638
+ 1520TIP3    H151927  -4.051  -4.358   1.644
+ 1520TIP3    H251928  -3.911  -4.312   1.616
+ 1520TIP3   OH251929  -3.207   3.545   2.618
+ 1520TIP3    H151930  -3.150   3.579   2.690
+ 1520TIP3    H251931  -3.259   3.476   2.663
+ 1520TIP3   OH251932  -3.397   3.687   1.839
+ 1520TIP3    H151933  -3.323   3.750   1.856
+ 1520TIP3    H251934  -3.425   3.666   1.930
+ 1520TIP3   OH251935  -3.364   3.789   2.759
+ 1520TIP3    H151936  -3.364   3.841   2.841
+ 1520TIP3    H251937  -3.315   3.711   2.786
+ 1521TIP3   OH251938  -3.778   3.495   1.597
+ 1521TIP3    H151939  -3.764   3.579   1.646
+ 1521TIP3    H251940  -3.697   3.446   1.614
+ 1521TIP3   OH251941  -2.741   3.583   2.846
+ 1521TIP3    H151942  -2.837   3.597   2.831
+ 1521TIP3    H251943  -2.714   3.565   2.755
+ 1521TIP3   OH251944  -2.889   3.966   2.242
+ 1521TIP3    H151945  -2.971   3.919   2.220
+ 1521TIP3    H251946  -2.841   3.899   2.295
+ 1521TIP3   OH251947  -4.115   3.797   1.414
+ 1521TIP3    H151948  -4.109   3.892   1.433
+ 1521TIP3    H251949  -4.195   3.788   1.361
+ 1521TIP3   OH251950  -4.022   3.292   2.282
+ 1521TIP3    H151951  -4.060   3.295   2.192
+ 1521TIP3    H251952  -4.068   3.216   2.321
+ 1521TIP3   OH251953  -4.214   4.329   3.124
+ 1521TIP3    H151954  -4.223   4.234   3.107
+ 1521TIP3    H251955  -4.307   4.352   3.103
+ 1521TIP3   OH251956  -3.585   4.329   3.045
+ 1521TIP3    H151957  -3.585   4.345   2.948
+ 1521TIP3    H251958  -3.552   4.237   3.049
+ 1521TIP3   OH251959  -2.985  -4.376   2.819
+ 1521TIP3    H151960  -2.906  -4.332   2.785
+ 1521TIP3    H251961  -3.053  -4.311   2.800
+ 1521TIP3   OH251962  -4.124   4.039   3.078
+ 1521TIP3    H151963  -4.055   3.971   3.065
+ 1521TIP3    H251964  -4.138   4.040   3.173
+ 1521TIP3   OH251965  -3.661   4.161   1.570
+ 1521TIP3    H151966  -3.727   4.121   1.628
+ 1521TIP3    H251967  -3.647   4.091   1.503
+ 1522TIP3   OH251968  -3.740   3.935   2.810
+ 1522TIP3    H151969  -3.807   4.005   2.822
+ 1522TIP3    H251970  -3.685   3.972   2.739
+ 1522TIP3   OH251971  -3.578   3.954   1.397
+ 1522TIP3    H151972  -3.580   3.973   1.301
+ 1522TIP3    H251973  -3.483   3.958   1.415
+ 1522TIP3   OH251974  -3.218   4.216   3.157
+ 1522TIP3    H151975  -3.131   4.195   3.123
+ 1522TIP3    H251976  -3.252   4.131   3.185
+ 1522TIP3   OH251977  -2.663   4.219   1.301
+ 1522TIP3    H151978  -2.601   4.172   1.244
+ 1522TIP3    H251979  -2.613   4.298   1.327
+ 1522TIP3   OH251980  -3.690   3.663   2.915
+ 1522TIP3    H151981  -3.684   3.599   2.842
+ 1522TIP3    H251982  -3.713   3.745   2.867
+ 1522TIP3   OH251983  -3.655   3.507   2.657
+ 1522TIP3    H151984  -3.605   3.565   2.596
+ 1522TIP3    H251985  -3.748   3.515   2.625
+ 1522TIP3   OH251986  -3.504   4.067   2.690
+ 1522TIP3    H151987  -3.420   4.057   2.642
+ 1522TIP3    H251988  -3.542   4.148   2.650
+ 1522TIP3   OH251989  -3.043   3.849   3.175
+ 1522TIP3    H151990  -3.023   3.756   3.195
+ 1522TIP3    H251991  -2.954   3.887   3.174
+ 1522TIP3   OH251992  -2.947   4.136   3.013
+ 1522TIP3    H151993  -2.971   4.208   2.950
+ 1522TIP3    H251994  -2.856   4.118   2.984
+ 1522TIP3   OH251995  -3.874   3.849   3.102
+ 1522TIP3    H151996  -3.929   3.769   3.091
+ 1522TIP3    H251997  -3.796   3.826   3.049
+ 1523TIP3   OH251998  -3.584   3.241   2.692
+ 1523TIP3    H151999  -3.601   3.336   2.677
+ 1523TIP3    H252000  -3.659   3.202   2.642
+ 1523TIP3   OH252001  -3.457   3.700   3.073
+ 1523TIP3    H152002  -3.491   3.681   3.162
+ 1523TIP3    H252003  -3.537   3.682   3.020
+ 1523TIP3   OH252004  -3.207   3.603   2.959
+ 1523TIP3    H152005  -3.294   3.613   3.003
+ 1523TIP3    H252006  -3.160   3.544   3.020
+ 1523TIP3   OH252007  -3.021   3.453   3.132
+ 1523TIP3    H152008  -3.037   3.358   3.151
+ 1523TIP3    H252009  -3.038   3.496   3.218
+ 1523TIP3   OH252010  -4.014   3.599   3.078
+ 1523TIP3    H152011  -4.018   3.527   3.013
+ 1523TIP3    H252012  -4.033   3.551   3.161
+ 1523TIP3   OH252013  -3.603   3.192   2.977
+ 1523TIP3    H152014  -3.543   3.116   2.983
+ 1523TIP3    H252015  -3.604   3.208   2.880
+ 1523TIP3   OH252016  -3.506   3.378   3.161
+ 1523TIP3    H152017  -3.541   3.319   3.091
+ 1523TIP3    H252018  -3.573   3.448   3.166
+ 1523TIP3   OH252019  -2.567   4.364   1.761
+ 1523TIP3    H152020  -2.474   4.361   1.731
+ 1523TIP3    H252021  -2.581   4.274   1.796
+ 1523TIP3   OH252022  -2.529   4.130   1.926
+ 1523TIP3    H152023  -2.608   4.088   1.965
+ 1523TIP3    H252024  -2.474   4.152   2.003
+ 1523TIP3   OH252025  -2.514   4.075   1.592
+ 1523TIP3    H152026  -2.527   4.104   1.500
+ 1523TIP3    H252027  -2.484   4.156   1.633
+ 1524TIP3   OH252028  -2.686   3.842   1.410
+ 1524TIP3    H152029  -2.663   3.909   1.344
+ 1524TIP3    H252030  -2.707   3.764   1.355
+ 1524TIP3   OH252031  -2.759   3.964   1.998
+ 1524TIP3    H152032  -2.760   3.868   1.985
+ 1524TIP3    H252033  -2.794   3.972   2.089
+ 1524TIP3   OH252034  -4.246   4.217   2.382
+ 1524TIP3    H152035  -4.229   4.177   2.296
+ 1524TIP3    H252036  -4.182   4.171   2.440
+ 1524TIP3   OH252037  -2.671   4.160   2.919
+ 1524TIP3    H152038  -2.599   4.101   2.948
+ 1524TIP3    H252039  -2.627   4.244   2.897
+ 1524TIP3   OH252040  -2.529   3.965   3.037
+ 1524TIP3    H152041  -2.610   3.913   3.019
+ 1524TIP3    H252042  -2.461   3.896   3.041
+ 1524TIP3   OH252043  -2.741   3.576   1.330
+ 1524TIP3    H152044  -2.682   3.527   1.390
+ 1524TIP3    H252045  -2.819   3.520   1.322
+ 1524TIP3   OH252046  -2.754   3.703   1.826
+ 1524TIP3    H152047  -2.731   3.608   1.828
+ 1524TIP3    H252048  -2.674   3.741   1.785
+ 1524TIP3   OH252049  -2.737   3.765   2.367
+ 1524TIP3    H152050  -2.641   3.779   2.364
+ 1524TIP3    H252051  -2.752   3.773   2.463
+ 1524TIP3   OH252052  -2.720   3.837   2.649
+ 1524TIP3    H152053  -2.806   3.876   2.675
+ 1524TIP3    H252054  -2.669   3.917   2.626
+ 1524TIP3   OH252055  -4.296   3.699   2.976
+ 1524TIP3    H152056  -4.208   3.688   3.015
+ 1524TIP3    H252057  -4.356   3.654   3.037
+ 1525TIP3   OH252058  -2.463   3.253   3.179
+ 1525TIP3    H152059  -2.422   3.184   3.124
+ 1525TIP3    H252060  -2.461   3.330   3.120
+ 1525TIP3   OH252061  -2.734   3.405   1.816
+ 1525TIP3    H152062  -2.703   3.390   1.908
+ 1525TIP3    H252063  -2.814   3.352   1.816
+ 1525TIP3   OH252064  -4.194   3.552   2.310
+ 1525TIP3    H152065  -4.158   3.464   2.326
+ 1525TIP3    H252066  -4.123   3.609   2.345
+ 1525TIP3   OH252067  -4.333   3.807   2.403
+ 1525TIP3    H152068  -4.280   3.780   2.327
+ 1525TIP3    H252069  -4.324   3.903   2.400
+ 1525TIP3   OH252070  -2.526   3.458   3.003
+ 1525TIP3    H152071  -2.613   3.500   3.011
+ 1525TIP3    H252072  -2.539   3.403   2.923
+ 1525TIP3   OH252073  -2.522   3.467   1.493
+ 1525TIP3    H152074  -2.484   3.393   1.442
+ 1525TIP3    H252075  -2.446   3.527   1.502
+ 1525TIP3   OH252076  -4.317   3.429   1.764
+ 1525TIP3    H152077  -4.401   3.459   1.726
+ 1525TIP3    H252078  -4.257   3.500   1.729
+ 1525TIP3   OH252079  -4.294   3.322   2.595
+ 1525TIP3    H152080  -4.359   3.319   2.669
+ 1525TIP3    H252081  -4.337   3.377   2.527
+ 1525TIP3   OH252082  -2.641   3.280   2.801
+ 1525TIP3    H152083  -2.720   3.303   2.749
+ 1525TIP3    H252084  -2.619   3.191   2.767
+ 1525TIP3   OH252085  -3.289   3.428   2.234
+ 1525TIP3    H152086  -3.359   3.362   2.250
+ 1525TIP3    H252087  -3.224   3.379   2.180
+ 1526TIP3   OH252088  -2.799   3.228   2.290
+ 1526TIP3    H152089  -2.723   3.278   2.256
+ 1526TIP3    H252090  -2.872   3.270   2.243
+ 1526TIP3   OH252091  -2.602   3.346   2.067
+ 1526TIP3    H152092  -2.525   3.303   2.026
+ 1526TIP3    H252093  -2.566   3.436   2.084
+ 1526TIP3   OH252094  -4.104   3.288   1.999
+ 1526TIP3    H152095  -4.180   3.261   1.946
+ 1526TIP3    H252096  -4.047   3.210   1.992
+ 1526TIP3   OH252097  -4.181   3.249   1.584
+ 1526TIP3    H152098  -4.131   3.316   1.533
+ 1526TIP3    H252099  -4.234   3.306   1.642
+ 1526TIP3   OH252100  -3.594   3.284   1.986
+ 1526TIP3    H152101  -3.514   3.336   2.002
+ 1526TIP3    H252102  -3.627   3.277   2.076
+ 1526TIP3   OH252103  -3.064   3.283   2.124
+ 1526TIP3    H152104  -3.020   3.260   2.041
+ 1526TIP3    H252105  -3.092   3.196   2.157
+ 1526TIP3   OH252106  -4.006   3.435   1.438
+ 1526TIP3    H152107  -3.948   3.379   1.384
+ 1526TIP3    H252108  -3.945   3.466   1.507
+ 1526TIP3   OH252109  -3.438   3.431   1.715
+ 1526TIP3    H152110  -3.491   3.381   1.779
+ 1526TIP3    H252111  -3.465   3.522   1.736
+ 1526TIP3   OH252112  -4.080   3.326   2.953
+ 1526TIP3    H152113  -4.125   3.250   2.994
+ 1526TIP3    H252114  -3.989   3.313   2.985
+ 1526TIP3   OH252115  -3.845   3.263   3.129
+ 1526TIP3    H152116  -3.763   3.227   3.091
+ 1526TIP3    H252117  -3.879   3.185   3.176
+ 1527TIP3   OH252118  -3.032   3.171   3.143
+ 1527TIP3    H152119  -3.030   3.131   3.232
+ 1527TIP3    H252120  -2.937   3.172   3.120
+ 1527TIP3   OH252121  -1.273   4.205   2.011
+ 1527TIP3    H152122  -1.305   4.296   2.008
+ 1527TIP3    H252123  -1.346   4.159   1.967
+ 1527TIP3   OH252124  -1.390   4.133   2.339
+ 1527TIP3    H152125  -1.389   4.079   2.419
+ 1527TIP3    H252126  -1.418   4.069   2.272
+ 1527TIP3   OH252127  -2.148   4.081   2.499
+ 1527TIP3    H152128  -2.149   4.008   2.563
+ 1527TIP3    H252129  -2.075   4.134   2.533
+ 1527TIP3   OH252130  -2.381   3.883   1.896
+ 1527TIP3    H152131  -2.419   3.973   1.898
+ 1527TIP3    H252132  -2.448   3.836   1.846
+ 1527TIP3   OH252133  -2.283   4.135   2.083
+ 1527TIP3    H152134  -2.283   4.052   2.135
+ 1527TIP3    H252135  -2.207   4.118   2.026
+ 1527TIP3   OH252136  -0.675   3.523   2.458
+ 1527TIP3    H152137  -0.648   3.584   2.529
+ 1527TIP3    H252138  -0.614   3.549   2.387
+ 1527TIP3   OH252139  -1.209   3.802   2.447
+ 1527TIP3    H152140  -1.196   3.705   2.446
+ 1527TIP3    H252141  -1.219   3.820   2.352
+ 1527TIP3   OH252142  -1.914   3.605   2.154
+ 1527TIP3    H152143  -1.899   3.690   2.108
+ 1527TIP3    H252144  -1.948   3.552   2.079
+ 1527TIP3   OH252145  -1.128   3.624   1.985
+ 1527TIP3    H152146  -1.070   3.580   2.050
+ 1527TIP3    H252147  -1.063   3.667   1.928
+ 1528TIP3   OH252148  -2.247   3.876   2.204
+ 1528TIP3    H152149  -2.182   3.830   2.259
+ 1528TIP3    H252150  -2.237   3.829   2.119
+ 1528TIP3   OH252151  -1.703   4.019   2.151
+ 1528TIP3    H152152  -1.636   3.960   2.191
+ 1528TIP3    H252153  -1.758   3.955   2.101
+ 1528TIP3   OH252154  -0.602   3.659   2.707
+ 1528TIP3    H152155  -0.661   3.731   2.678
+ 1528TIP3    H252156  -0.620   3.657   2.802
+ 1528TIP3   OH252157  -2.034   3.484   2.568
+ 1528TIP3    H152158  -2.074   3.535   2.496
+ 1528TIP3    H252159  -2.100   3.500   2.639
+ 1528TIP3   OH252160  -1.762   4.266   2.547
+ 1528TIP3    H152161  -1.844   4.319   2.550
+ 1528TIP3    H252162  -1.697   4.338   2.536
+ 1528TIP3   OH252163  -0.946   3.548   2.187
+ 1528TIP3    H152164  -0.981   3.483   2.249
+ 1528TIP3    H252165  -0.894   3.606   2.245
+ 1528TIP3   OH252166  -2.073   3.689   2.363
+ 1528TIP3    H152167  -2.009   3.747   2.409
+ 1528TIP3    H252168  -2.016   3.653   2.291
+ 1528TIP3   OH252169  -0.936   3.472   2.573
+ 1528TIP3    H152170  -1.013   3.499   2.518
+ 1528TIP3    H252171  -0.862   3.482   2.511
+ 1528TIP3   OH252172  -1.619   3.234   2.278
+ 1528TIP3    H152173  -1.641   3.139   2.270
+ 1528TIP3    H252174  -1.702   3.270   2.314
+ 1528TIP3   OH252175  -1.423   4.145   1.751
+ 1528TIP3    H152176  -1.488   4.179   1.689
+ 1528TIP3    H252177  -1.346   4.134   1.692
+ 1529TIP3   OH252178  -1.381   3.942   1.469
+ 1529TIP3    H152179  -1.307   3.979   1.522
+ 1529TIP3    H252180  -1.332   3.891   1.403
+ 1529TIP3   OH252181  -0.669   4.056   2.576
+ 1529TIP3    H152182  -0.737   4.127   2.585
+ 1529TIP3    H252183  -0.618   4.092   2.500
+ 1529TIP3   OH252184  -1.049   4.142   1.853
+ 1529TIP3    H152185  -1.117   4.162   1.921
+ 1529TIP3    H252186  -0.985   4.089   1.903
+ 1529TIP3   OH252187  -1.077   3.969   2.748
+ 1529TIP3    H152188  -1.076   4.045   2.809
+ 1529TIP3    H252189  -1.134   4.005   2.677
+ 1529TIP3   OH252190  -1.900   4.207   2.047
+ 1529TIP3    H152191  -1.919   4.182   1.955
+ 1529TIP3    H252192  -1.820   4.154   2.066
+ 1529TIP3   OH252193  -1.842   4.065   2.389
+ 1529TIP3    H152194  -1.788   4.073   2.308
+ 1529TIP3    H252195  -1.812   4.142   2.442
+ 1529TIP3   OH252196  -1.169   4.074   1.616
+ 1529TIP3    H152197  -1.112   4.101   1.691
+ 1529TIP3    H252198  -1.123   4.119   1.541
+ 1529TIP3   OH252199  -2.058   4.145   2.773
+ 1529TIP3    H152200  -2.046   4.209   2.847
+ 1529TIP3    H252201  -2.155   4.139   2.771
+ 1529TIP3   OH252202  -0.820   3.247   1.558
+ 1529TIP3    H152203  -0.908   3.255   1.599
+ 1529TIP3    H252204  -0.785   3.337   1.565
+ 1529TIP3   OH252205  -2.008   4.078   1.802
+ 1529TIP3    H152206  -2.025   4.160   1.749
+ 1529TIP3    H252207  -2.068   4.016   1.759
+ 1530TIP3   OH252208  -2.412   4.309   2.675
+ 1530TIP3    H152209  -2.413   4.292   2.580
+ 1530TIP3    H252210  -2.380   4.224   2.711
+ 1530TIP3   OH252211  -0.891   3.833   2.982
+ 1530TIP3    H152212  -0.925   3.876   2.902
+ 1530TIP3    H252213  -0.875   3.742   2.950
+ 1530TIP3   OH252214  -1.862   3.348   2.369
+ 1530TIP3    H152215  -1.943   3.342   2.316
+ 1530TIP3    H252216  -1.886   3.422   2.427
+ 1530TIP3   OH252217  -1.423   3.308   2.737
+ 1530TIP3    H152218  -1.372   3.250   2.796
+ 1530TIP3    H252219  -1.514   3.272   2.745
+ 1530TIP3   OH252220  -1.159   3.682   2.819
+ 1530TIP3    H152221  -1.130   3.680   2.911
+ 1530TIP3    H252222  -1.125   3.767   2.787
+ 1530TIP3   OH252223  -1.030   4.176   1.410
+ 1530TIP3    H152224  -1.037   4.159   1.315
+ 1530TIP3    H252225  -0.940   4.214   1.416
+ 1530TIP3   OH252226  -1.444   3.557   1.459
+ 1530TIP3    H152227  -1.494   3.545   1.540
+ 1530TIP3    H252228  -1.486   3.490   1.401
+ 1530TIP3   OH252229  -1.873   3.824   2.516
+ 1530TIP3    H152230  -1.939   3.838   2.586
+ 1530TIP3    H252231  -1.866   3.914   2.476
+ 1530TIP3   OH252232  -1.880   3.832   1.998
+ 1530TIP3    H152233  -1.975   3.828   1.981
+ 1530TIP3    H252234  -1.845   3.815   1.909
+ 1530TIP3   OH252235  -1.320   3.901   1.878
+ 1530TIP3    H152236  -1.368   3.974   1.836
+ 1530TIP3    H252237  -1.254   3.878   1.810
+ 1531TIP3   OH252238  -1.236   3.831   2.151
+ 1531TIP3    H152239  -1.265   3.885   2.075
+ 1531TIP3    H252240  -1.212   3.749   2.104
+ 1531TIP3   OH252241  -2.134   3.840   2.688
+ 1531TIP3    H152242  -2.119   3.881   2.775
+ 1531TIP3    H252243  -2.172   3.754   2.713
+ 1531TIP3   OH252244  -1.800   3.599   1.347
+ 1531TIP3    H152245  -1.836   3.567   1.432
+ 1531TIP3    H252246  -1.880   3.620   1.298
+ 1531TIP3   OH252247  -2.460   3.584   2.060
+ 1531TIP3    H152248  -2.396   3.589   2.134
+ 1531TIP3    H252249  -2.406   3.555   1.986
+ 1531TIP3   OH252250  -2.303   3.637   1.620
+ 1531TIP3    H152251  -2.247   3.690   1.559
+ 1531TIP3    H252252  -2.370   3.704   1.641
+ 1531TIP3   OH252253  -1.337   3.996   2.596
+ 1531TIP3    H152254  -1.285   3.930   2.545
+ 1531TIP3    H252255  -1.372   3.941   2.668
+ 1531TIP3   OH252256  -1.604   3.596   2.101
+ 1531TIP3    H152257  -1.699   3.590   2.121
+ 1531TIP3    H252258  -1.564   3.573   2.187
+ 1531TIP3   OH252259  -2.153   3.714   1.971
+ 1531TIP3    H152260  -2.229   3.745   1.919
+ 1531TIP3    H252261  -2.119   3.639   1.919
+ 1531TIP3   OH252262  -1.785   3.751   1.738
+ 1531TIP3    H152263  -1.689   3.761   1.737
+ 1531TIP3    H252264  -1.815   3.806   1.662
+ 1531TIP3   OH252265  -1.167   3.508   2.405
+ 1531TIP3    H152266  -1.236   3.509   2.475
+ 1531TIP3    H252267  -1.219   3.473   2.331
+ 1532TIP3   OH252268  -1.933   3.867   1.518
+ 1532TIP3    H152269  -2.003   3.858   1.451
+ 1532TIP3    H252270  -1.858   3.893   1.462
+ 1532TIP3   OH252271  -2.046   4.316   2.978
+ 1532TIP3    H152272  -1.991   4.364   3.043
+ 1532TIP3    H252273  -2.128   4.304   3.032
+ 1532TIP3   OH252274  -1.503   3.850   2.284
+ 1532TIP3    H152275  -1.431   3.807   2.237
+ 1532TIP3    H252276  -1.519   3.789   2.359
+ 1532TIP3   OH252277  -1.974   3.491   1.900
+ 1532TIP3    H152278  -2.027   3.410   1.913
+ 1532TIP3    H252279  -1.893   3.456   1.860
+ 1532TIP3   OH252280  -1.606   3.698   2.509
+ 1532TIP3    H152281  -1.685   3.754   2.510
+ 1532TIP3    H252282  -1.558   3.725   2.590
+ 1532TIP3   OH252283  -1.631   4.366   1.718
+ 1532TIP3    H152284  -1.678   4.300   1.662
+ 1532TIP3    H252285  -1.586   4.312   1.784
+ 1532TIP3   OH252286  -0.842   4.271   2.567
+ 1532TIP3    H152287  -0.820   4.311   2.481
+ 1532TIP3    H252288  -0.938   4.257   2.550
+ 1532TIP3   OH252289  -1.176   3.617   1.474
+ 1532TIP3    H152290  -1.275   3.613   1.469
+ 1532TIP3    H252291  -1.159   3.690   1.536
+ 1532TIP3   OH252292  -1.109   3.798   1.682
+ 1532TIP3    H152293  -1.020   3.781   1.719
+ 1532TIP3    H252294  -1.097   3.884   1.638
+ 1532TIP3   OH252295  -2.044   4.252   2.273
+ 1532TIP3    H152296  -1.991   4.243   2.191
+ 1532TIP3    H252297  -2.043   4.162   2.307
+ 1533TIP3   OH252298  -2.344   4.078   2.800
+ 1533TIP3    H152299  -2.337   4.043   2.891
+ 1533TIP3    H252300  -2.421   4.031   2.764
+ 1533TIP3   OH252301  -1.642   4.036   3.005
+ 1533TIP3    H152302  -1.679   4.023   2.916
+ 1533TIP3    H252303  -1.547   4.044   2.987
+ 1533TIP3   OH252304  -0.650   3.797   1.653
+ 1533TIP3    H152305  -0.705   3.778   1.575
+ 1533TIP3    H252306  -0.637   3.893   1.638
+ 1533TIP3   OH252307  -1.102   4.180   2.432
+ 1533TIP3    H152308  -1.193   4.183   2.399
+ 1533TIP3    H252309  -1.056   4.133   2.360
+ 1533TIP3   OH252310  -2.222   3.565   2.768
+ 1533TIP3    H152311  -2.312   3.590   2.741
+ 1533TIP3    H252312  -2.236   3.477   2.808
+ 1533TIP3   OH252313  -2.077  -4.389   1.669
+ 1533TIP3    H152314  -2.172  -4.369   1.658
+ 1533TIP3    H252315  -2.039  -4.326   1.607
+ 1533TIP3   OH252316  -1.329   3.553   2.624
+ 1533TIP3    H152317  -1.266   3.577   2.694
+ 1533TIP3    H252318  -1.375   3.475   2.661
+ 1533TIP3   OH252319  -1.262   3.493   1.748
+ 1533TIP3    H152320  -1.244   3.545   1.668
+ 1533TIP3    H252321  -1.215   3.543   1.816
+ 1533TIP3   OH252322  -1.517   3.692   1.842
+ 1533TIP3    H152323  -1.441   3.751   1.858
+ 1533TIP3    H252324  -1.549   3.676   1.933
+ 1533TIP3   OH252325  -1.470   3.801   2.769
+ 1533TIP3    H152326  -1.466   3.836   2.859
+ 1533TIP3    H252327  -1.416   3.721   2.772
+ 1534TIP3   OH252328  -1.461   3.394   1.937
+ 1534TIP3    H152329  -1.481   3.465   2.001
+ 1534TIP3    H252330  -1.388   3.434   1.885
+ 1534TIP3   OH252331  -1.888   3.494   1.589
+ 1534TIP3    H152332  -1.885   3.572   1.648
+ 1534TIP3    H252333  -1.806   3.448   1.616
+ 1534TIP3   OH252334  -0.866   3.590   2.843
+ 1534TIP3    H152335  -0.961   3.583   2.824
+ 1534TIP3    H252336  -0.831   3.565   2.756
+ 1534TIP3   OH252337  -1.002   3.968   2.243
+ 1534TIP3    H152338  -1.086   3.923   2.221
+ 1534TIP3    H252339  -0.955   3.899   2.294
+ 1534TIP3   OH252340  -2.241   3.831   1.416
+ 1534TIP3    H152341  -2.221   3.925   1.397
+ 1534TIP3    H252342  -2.323   3.822   1.367
+ 1534TIP3   OH252343  -2.142   3.304   2.286
+ 1534TIP3    H152344  -2.158   3.302   2.190
+ 1534TIP3    H252345  -2.174   3.217   2.315
+ 1534TIP3   OH252346  -2.291   4.307   3.090
+ 1534TIP3    H152347  -2.314   4.213   3.097
+ 1534TIP3    H252348  -2.373   4.352   3.068
+ 1534TIP3   OH252349  -1.704   4.322   3.045
+ 1534TIP3    H152350  -1.701   4.341   2.949
+ 1534TIP3    H252351  -1.662   4.234   3.050
+ 1534TIP3   OH252352  -1.099  -4.373   2.821
+ 1534TIP3    H152353  -1.025  -4.326   2.780
+ 1534TIP3    H252354  -1.173  -4.316   2.797
+ 1534TIP3   OH252355  -2.234   4.023   3.064
+ 1534TIP3    H152356  -2.157   3.965   3.058
+ 1534TIP3    H252357  -2.233   4.045   3.158
+ 1535TIP3   OH252358  -1.770   4.157   1.582
+ 1535TIP3    H152359  -1.845   4.119   1.628
+ 1535TIP3    H252360  -1.761   4.096   1.506
+ 1535TIP3   OH252361  -1.857   3.935   2.809
+ 1535TIP3    H152362  -1.918   4.010   2.823
+ 1535TIP3    H252363  -1.800   3.969   2.739
+ 1535TIP3   OH252364  -1.694   3.957   1.397
+ 1535TIP3    H152365  -1.699   3.970   1.301
+ 1535TIP3    H252366  -1.597   3.958   1.413
+ 1535TIP3   OH252367  -1.350   4.167   3.119
+ 1535TIP3    H152368  -1.259   4.198   3.129
+ 1535TIP3    H252369  -1.370   4.137   3.209
+ 1535TIP3   OH252370  -0.762   4.189   1.321
+ 1535TIP3    H152371  -0.772   4.183   1.224
+ 1535TIP3    H252372  -0.759   4.286   1.338
+ 1535TIP3   OH252373  -1.792   3.667   2.919
+ 1535TIP3    H152374  -1.794   3.599   2.849
+ 1535TIP3    H252375  -1.818   3.746   2.870
+ 1535TIP3   OH252376  -1.772   3.511   2.661
+ 1535TIP3    H152377  -1.721   3.564   2.596
+ 1535TIP3    H252378  -1.863   3.514   2.625
+ 1535TIP3   OH252379  -1.617   4.070   2.693
+ 1535TIP3    H152380  -1.536   4.059   2.639
+ 1535TIP3    H252381  -1.658   4.148   2.651
+ 1535TIP3   OH252382  -1.059   4.128   3.006
+ 1535TIP3    H152383  -1.085   4.203   2.949
+ 1535TIP3    H252384  -0.965   4.120   2.982
+ 1535TIP3   OH252385  -1.987   3.848   3.097
+ 1535TIP3    H152386  -2.039   3.766   3.093
+ 1535TIP3    H252387  -1.906   3.823   3.049
+ 1536TIP3   OH252388  -1.699   3.245   2.697
+ 1536TIP3    H152389  -1.718   3.339   2.680
+ 1536TIP3    H252390  -1.767   3.201   2.642
+ 1536TIP3   OH252391  -1.537   3.703   3.085
+ 1536TIP3    H152392  -1.596   3.686   3.161
+ 1536TIP3    H252393  -1.603   3.693   3.014
+ 1536TIP3   OH252394  -1.171   3.505   3.184
+ 1536TIP3    H152395  -1.164   3.414   3.151
+ 1536TIP3    H252396  -1.181   3.488   3.279
+ 1536TIP3   OH252397  -2.117   3.594   3.077
+ 1536TIP3    H152398  -2.127   3.523   3.012
+ 1536TIP3    H252399  -2.139   3.547   3.160
+ 1536TIP3   OH252400  -1.711   3.195   2.980
+ 1536TIP3    H152401  -1.654   3.116   2.983
+ 1536TIP3    H252402  -1.718   3.209   2.884
+ 1536TIP3   OH252403  -1.611   3.386   3.164
+ 1536TIP3    H152404  -1.642   3.325   3.095
+ 1536TIP3    H252405  -1.683   3.452   3.168
+ 1536TIP3   OH252406  -0.681   4.364   1.763
+ 1536TIP3    H152407  -0.587   4.361   1.743
+ 1536TIP3    H252408  -0.699   4.279   1.806
+ 1536TIP3   OH252409  -0.645   4.131   1.925
+ 1536TIP3    H152410  -0.723   4.088   1.964
+ 1536TIP3    H252411  -0.590   4.152   2.002
+ 1536TIP3   OH252412  -0.627   4.093   1.577
+ 1536TIP3    H152413  -0.690   4.115   1.505
+ 1536TIP3    H252414  -0.641   4.167   1.637
+ 1536TIP3   OH252415  -0.800   3.843   1.411
+ 1536TIP3    H152416  -0.780   3.906   1.339
+ 1536TIP3    H252417  -0.824   3.762   1.362
+ 1537TIP3   OH252418  -0.871   3.966   1.999
+ 1537TIP3    H152419  -0.874   3.869   1.985
+ 1537TIP3    H252420  -0.908   3.973   2.090
+ 1537TIP3   OH252421  -2.386   4.187   2.397
+ 1537TIP3    H152422  -2.376   4.204   2.302
+ 1537TIP3    H252423  -2.295   4.161   2.421
+ 1537TIP3   OH252424  -0.786   4.165   2.920
+ 1537TIP3    H152425  -0.715   4.102   2.944
+ 1537TIP3    H252426  -0.739   4.250   2.908
+ 1537TIP3   OH252427  -0.647   3.964   3.030
+ 1537TIP3    H152428  -0.726   3.908   3.020
+ 1537TIP3    H252429  -0.576   3.897   3.041
+ 1537TIP3   OH252430  -0.855   3.579   1.330
+ 1537TIP3    H152431  -0.798   3.528   1.390
+ 1537TIP3    H252432  -0.935   3.525   1.323
+ 1537TIP3   OH252433  -0.872   3.706   1.826
+ 1537TIP3    H152434  -0.849   3.611   1.831
+ 1537TIP3    H252435  -0.792   3.741   1.784
+ 1537TIP3   OH252436  -0.851   3.768   2.368
+ 1537TIP3    H152437  -0.754   3.779   2.365
+ 1537TIP3    H252438  -0.866   3.770   2.464
+ 1537TIP3   OH252439  -0.838   3.839   2.655
+ 1537TIP3    H152440  -0.924   3.881   2.675
+ 1537TIP3    H252441  -0.784   3.915   2.627
+ 1537TIP3   OH252442  -2.387   3.716   3.017
+ 1537TIP3    H152443  -2.293   3.690   3.020
+ 1537TIP3    H252444  -2.431   3.629   3.025
+ 1537TIP3   OH252445  -0.582   3.253   3.176
+ 1537TIP3    H152446  -0.537   3.184   3.123
+ 1537TIP3    H252447  -0.575   3.331   3.119
+ 1538TIP3   OH252448  -0.827   3.427   1.822
+ 1538TIP3    H152449  -0.817   3.392   1.913
+ 1538TIP3    H252450  -0.906   3.378   1.792
+ 1538TIP3   OH252451  -2.308   3.546   2.299
+ 1538TIP3    H152452  -2.260   3.461   2.305
+ 1538TIP3    H252453  -2.240   3.608   2.332
+ 1538TIP3   OH252454  -2.454   3.814   2.404
+ 1538TIP3    H152455  -2.395   3.813   2.327
+ 1538TIP3    H252456  -2.422   3.894   2.449
+ 1538TIP3   OH252457  -0.640   3.461   2.999
+ 1538TIP3    H152458  -0.729   3.497   3.014
+ 1538TIP3    H252459  -0.656   3.404   2.922
+ 1538TIP3   OH252460  -0.630   3.475   1.490
+ 1538TIP3    H152461  -0.600   3.395   1.444
+ 1538TIP3    H252462  -0.548   3.527   1.495
+ 1538TIP3   OH252463  -2.416   3.449   1.801
+ 1538TIP3    H152464  -2.509   3.461   1.777
+ 1538TIP3    H252465  -2.370   3.509   1.741
+ 1538TIP3   OH252466  -2.400   3.336   2.622
+ 1538TIP3    H152467  -2.471   3.311   2.683
+ 1538TIP3    H252468  -2.449   3.390   2.557
+ 1538TIP3   OH252469  -0.757   3.280   2.803
+ 1538TIP3    H152470  -0.836   3.296   2.748
+ 1538TIP3    H252471  -0.731   3.191   2.771
+ 1538TIP3   OH252472  -1.411   3.429   2.250
+ 1538TIP3    H152473  -1.480   3.361   2.262
+ 1538TIP3    H252474  -1.352   3.385   2.188
+ 1538TIP3   OH252475  -0.917   3.239   2.298
+ 1538TIP3    H152476  -0.840   3.276   2.251
+ 1538TIP3    H252477  -0.990   3.258   2.237
+ 1539TIP3   OH252478  -0.707   3.343   2.084
+ 1539TIP3    H152479  -0.638   3.299   2.031
+ 1539TIP3    H252480  -0.675   3.435   2.089
+ 1539TIP3   OH252481  -2.178   3.300   2.005
+ 1539TIP3    H152482  -2.264   3.285   1.960
+ 1539TIP3    H252483  -2.133   3.215   1.989
+ 1539TIP3   OH252484  -2.296   3.250   1.594
+ 1539TIP3    H152485  -2.243   3.314   1.541
+ 1539TIP3    H252486  -2.337   3.308   1.660
+ 1539TIP3   OH252487  -1.730   3.286   1.992
+ 1539TIP3    H152488  -1.638   3.312   1.975
+ 1539TIP3    H252489  -1.729   3.273   2.088
+ 1539TIP3   OH252490  -1.169   3.288   2.133
+ 1539TIP3    H152491  -1.142   3.271   2.042
+ 1539TIP3    H252492  -1.209   3.202   2.158
+ 1539TIP3   OH252493  -1.058   3.289   1.731
+ 1539TIP3    H152494  -1.141   3.338   1.715
+ 1539TIP3    H252495  -1.092   3.199   1.749
+ 1539TIP3   OH252496  -2.124   3.427   1.437
+ 1539TIP3    H152497  -2.059   3.377   1.383
+ 1539TIP3    H252498  -2.066   3.465   1.505
+ 1539TIP3   OH252499  -1.616   3.450   1.697
+ 1539TIP3    H152500  -1.579   3.392   1.765
+ 1539TIP3    H252501  -1.594   3.537   1.734
+ 1539TIP3   OH252502  -2.197   3.324   2.956
+ 1539TIP3    H152503  -2.236   3.243   2.992
+ 1539TIP3    H252504  -2.104   3.312   2.983
+ 1539TIP3   OH252505  -1.957   3.264   3.132
+ 1539TIP3    H152506  -1.875   3.229   3.091
+ 1539TIP3    H252507  -1.993   3.184   3.173
+ 1540TIP3   OH252508  -1.143   3.204   3.149
+ 1540TIP3    H152509  -1.145   3.153   3.233
+ 1540TIP3    H252510  -1.049   3.193   3.123
+ 1540TIP3   OH252511   0.607   4.204   2.024
+ 1540TIP3    H152512   0.584   4.296   2.001
+ 1540TIP3    H252513   0.540   4.157   1.972
+ 1540TIP3   OH252514  -0.258   4.078   2.496
+ 1540TIP3    H152515  -0.263   4.006   2.561
+ 1540TIP3    H252516  -0.194   4.137   2.539
+ 1540TIP3   OH252517  -0.492   3.888   1.894
+ 1540TIP3    H152518  -0.539   3.973   1.898
+ 1540TIP3    H252519  -0.560   3.831   1.854
+ 1540TIP3   OH252520  -0.394   4.137   2.084
+ 1540TIP3    H152521  -0.398   4.054   2.135
+ 1540TIP3    H252522  -0.321   4.115   2.024
+ 1540TIP3   OH252523   1.206   3.531   2.453
+ 1540TIP3    H152524   1.236   3.586   2.527
+ 1540TIP3    H252525   1.272   3.554   2.385
+ 1540TIP3   OH252526   0.664   3.824   2.444
+ 1540TIP3    H152527   0.676   3.735   2.481
+ 1540TIP3    H252528   0.663   3.804   2.349
+ 1540TIP3   OH252529  -0.028   3.607   2.153
+ 1540TIP3    H152530  -0.015   3.691   2.105
+ 1540TIP3    H252531  -0.062   3.552   2.079
+ 1540TIP3   OH252532   0.758   3.624   1.984
+ 1540TIP3    H152533   0.816   3.579   2.050
+ 1540TIP3    H252534   0.824   3.666   1.928
+ 1540TIP3   OH252535  -0.360   3.878   2.202
+ 1540TIP3    H152536  -0.298   3.830   2.259
+ 1540TIP3    H252537  -0.351   3.829   2.119
+ 1541TIP3   OH252538   0.181   4.019   2.151
+ 1541TIP3    H152539   0.249   3.962   2.192
+ 1541TIP3    H252540   0.128   3.954   2.101
+ 1541TIP3   OH252541   1.283   3.662   2.705
+ 1541TIP3    H152542   1.225   3.735   2.678
+ 1541TIP3    H252543   1.260   3.656   2.799
+ 1541TIP3   OH252544  -0.146   3.485   2.568
+ 1541TIP3    H152545  -0.189   3.533   2.496
+ 1541TIP3    H252546  -0.212   3.497   2.639
+ 1541TIP3   OH252547   0.120   4.261   2.550
+ 1541TIP3    H152548   0.039   4.314   2.552
+ 1541TIP3    H252549   0.186   4.332   2.543
+ 1541TIP3   OH252550   0.939   3.549   2.187
+ 1541TIP3    H152551   0.904   3.485   2.251
+ 1541TIP3    H252552   0.995   3.604   2.243
+ 1541TIP3   OH252553  -0.188   3.689   2.362
+ 1541TIP3    H152554  -0.123   3.747   2.407
+ 1541TIP3    H252555  -0.131   3.652   2.291
+ 1541TIP3   OH252556   0.952   3.464   2.571
+ 1541TIP3    H152557   0.875   3.500   2.524
+ 1541TIP3    H252558   1.025   3.481   2.509
+ 1541TIP3   OH252559   0.266   3.234   2.277
+ 1541TIP3    H152560   0.245   3.139   2.272
+ 1541TIP3    H252561   0.184   3.270   2.315
+ 1541TIP3   OH252562   0.464   4.147   1.752
+ 1541TIP3    H152563   0.398   4.173   1.687
+ 1541TIP3    H252564   0.541   4.133   1.694
+ 1541TIP3   OH252565   0.504   3.942   1.471
+ 1541TIP3    H152566   0.579   3.979   1.521
+ 1541TIP3    H252567   0.552   3.892   1.403
+ 1542TIP3   OH252568   1.209   4.047   2.567
+ 1542TIP3    H152569   1.156   4.124   2.595
+ 1542TIP3    H252570   1.271   4.092   2.507
+ 1542TIP3   OH252571   0.836   4.139   1.854
+ 1542TIP3    H152572   0.771   4.160   1.922
+ 1542TIP3    H252573   0.902   4.088   1.904
+ 1542TIP3   OH252574   0.789   3.985   2.733
+ 1542TIP3    H152575   0.794   4.035   2.816
+ 1542TIP3    H252576   0.747   4.050   2.678
+ 1542TIP3   OH252577  -0.011   4.206   2.047
+ 1542TIP3    H152578  -0.035   4.182   1.955
+ 1542TIP3    H252579   0.065   4.148   2.063
+ 1542TIP3   OH252580   0.046   4.063   2.388
+ 1542TIP3    H152581   0.097   4.073   2.306
+ 1542TIP3    H252582   0.072   4.142   2.440
+ 1542TIP3   OH252583   0.715   4.076   1.617
+ 1542TIP3    H152584   0.775   4.101   1.690
+ 1542TIP3    H252585   0.761   4.120   1.541
+ 1542TIP3   OH252586  -0.173   4.146   2.773
+ 1542TIP3    H152587  -0.162   4.208   2.848
+ 1542TIP3    H252588  -0.270   4.146   2.766
+ 1542TIP3   OH252589   1.066   3.247   1.558
+ 1542TIP3    H152590   0.979   3.256   1.600
+ 1542TIP3    H252591   1.101   3.337   1.564
+ 1542TIP3   OH252592  -0.129   4.091   1.801
+ 1542TIP3    H152593  -0.141   4.167   1.740
+ 1542TIP3    H252594  -0.185   4.023   1.761
+ 1542TIP3   OH252595  -0.487   4.318   2.656
+ 1542TIP3    H152596  -0.547   4.299   2.583
+ 1542TIP3    H252597  -0.496   4.239   2.713
+ 1543TIP3   OH252598   1.008   3.836   2.979
+ 1543TIP3    H152599   0.965   3.871   2.900
+ 1543TIP3    H252600   1.014   3.742   2.956
+ 1543TIP3   OH252601   0.024   3.350   2.368
+ 1543TIP3    H152602  -0.057   3.342   2.315
+ 1543TIP3    H252603  -0.003   3.421   2.429
+ 1543TIP3   OH252604   0.461   3.306   2.732
+ 1543TIP3    H152605   0.514   3.254   2.795
+ 1543TIP3    H252606   0.370   3.271   2.746
+ 1543TIP3   OH252607   0.774   3.683   2.782
+ 1543TIP3    H152608   0.716   3.665   2.859
+ 1543TIP3    H252609   0.760   3.778   2.766
+ 1543TIP3   OH252610   0.855   4.175   1.411
+ 1543TIP3    H152611   0.849   4.159   1.315
+ 1543TIP3    H252612   0.944   4.215   1.417
+ 1543TIP3   OH252613   0.441   3.558   1.459
+ 1543TIP3    H152614   0.391   3.543   1.541
+ 1543TIP3    H252615   0.401   3.490   1.402
+ 1543TIP3   OH252616   0.014   3.826   2.518
+ 1543TIP3    H152617  -0.057   3.835   2.583
+ 1543TIP3    H252618   0.015   3.914   2.473
+ 1543TIP3   OH252619   0.004   3.836   1.996
+ 1543TIP3    H152620  -0.091   3.826   1.980
+ 1543TIP3    H252621   0.039   3.815   1.907
+ 1543TIP3   OH252622   0.567   3.902   1.882
+ 1543TIP3    H152623   0.518   3.973   1.837
+ 1543TIP3    H252624   0.633   3.878   1.814
+ 1543TIP3   OH252625   0.484   3.921   3.019
+ 1543TIP3    H152626   0.433   3.843   3.049
+ 1543TIP3    H252627   0.572   3.904   3.058
+ 1544TIP3   OH252628   0.657   3.836   2.151
+ 1544TIP3    H152629   0.626   3.883   2.071
+ 1544TIP3    H252630   0.679   3.750   2.110
+ 1544TIP3   OH252631  -0.249   3.841   2.691
+ 1544TIP3    H152632  -0.234   3.877   2.779
+ 1544TIP3    H252633  -0.286   3.754   2.712
+ 1544TIP3   OH252634   0.084   3.605   1.350
+ 1544TIP3    H152635   0.048   3.566   1.432
+ 1544TIP3    H252636   0.006   3.615   1.295
+ 1544TIP3   OH252637  -0.570   3.594   2.056
+ 1544TIP3    H152638  -0.509   3.586   2.132
+ 1544TIP3    H252639  -0.522   3.551   1.984
+ 1544TIP3   OH252640  -0.411   3.635   1.630
+ 1544TIP3    H152641  -0.358   3.682   1.562
+ 1544TIP3    H252642  -0.482   3.698   1.645
+ 1544TIP3   OH252643   0.284   3.608   2.109
+ 1544TIP3    H152644   0.189   3.592   2.125
+ 1544TIP3    H252645   0.324   3.570   2.189
+ 1544TIP3   OH252646  -0.263   3.717   1.968
+ 1544TIP3    H152647  -0.344   3.742   1.920
+ 1544TIP3    H252648  -0.233   3.638   1.920
+ 1544TIP3   OH252649   0.101   3.755   1.738
+ 1544TIP3    H152650   0.198   3.758   1.738
+ 1544TIP3    H252651   0.076   3.809   1.661
+ 1544TIP3   OH252652   0.719   3.514   2.402
+ 1544TIP3    H152653   0.654   3.513   2.475
+ 1544TIP3    H252654   0.664   3.479   2.330
+ 1544TIP3   OH252655  -0.055   3.877   1.514
+ 1544TIP3    H152656  -0.112   3.844   1.443
+ 1544TIP3    H252657   0.027   3.897   1.464
+ 1545TIP3   OH252658  -0.167   4.317   2.978
+ 1545TIP3    H152659  -0.108   4.362   3.042
+ 1545TIP3    H252660  -0.246   4.305   3.035
+ 1545TIP3   OH252661   0.400   3.877   2.308
+ 1545TIP3    H152662   0.445   3.825   2.240
+ 1545TIP3    H252663   0.368   3.806   2.368
+ 1545TIP3   OH252664  -0.087   3.490   1.901
+ 1545TIP3    H152665  -0.144   3.412   1.913
+ 1545TIP3    H252666  -0.009   3.451   1.860
+ 1545TIP3   OH252667   0.284   3.704   2.495
+ 1545TIP3    H152668   0.199   3.749   2.510
+ 1545TIP3    H252669   0.331   3.715   2.579
+ 1545TIP3   OH252670   0.241   4.363   1.734
+ 1545TIP3    H152671   0.213   4.306   1.660
+ 1545TIP3    H252672   0.315   4.316   1.775
+ 1545TIP3   OH252673   1.017   4.257   2.559
+ 1545TIP3    H152674   1.079   4.299   2.497
+ 1545TIP3    H252675   0.937   4.272   2.507
+ 1545TIP3   OH252676   0.709   3.615   1.476
+ 1545TIP3    H152677   0.611   3.614   1.469
+ 1545TIP3    H252678   0.726   3.690   1.536
+ 1545TIP3   OH252679   0.777   3.799   1.685
+ 1545TIP3    H152680   0.866   3.781   1.721
+ 1545TIP3    H252681   0.790   3.883   1.638
+ 1545TIP3   OH252682  -0.157   4.254   2.272
+ 1545TIP3    H152683  -0.104   4.240   2.191
+ 1545TIP3    H252684  -0.162   4.164   2.308
+ 1545TIP3   OH252685  -0.474   4.091   2.811
+ 1545TIP3    H152686  -0.455   4.045   2.895
+ 1545TIP3    H252687  -0.533   4.029   2.765
+ 1546TIP3   OH252688   0.229   4.053   3.007
+ 1546TIP3    H152689   0.189   4.020   2.925
+ 1546TIP3    H252690   0.323   4.028   2.995
+ 1546TIP3   OH252691   1.235   3.798   1.654
+ 1546TIP3    H152692   1.181   3.778   1.574
+ 1546TIP3    H252693   1.248   3.894   1.638
+ 1546TIP3   OH252694  -0.363   4.094   1.458
+ 1546TIP3    H152695  -0.304   4.155   1.505
+ 1546TIP3    H252696  -0.448   4.111   1.502
+ 1546TIP3   OH252697  -0.336   3.565   2.766
+ 1546TIP3    H152698  -0.427   3.589   2.741
+ 1546TIP3    H252699  -0.349   3.478   2.808
+ 1546TIP3   OH252700  -0.186  -4.386   1.644
+ 1546TIP3    H152701  -0.277  -4.352   1.655
+ 1546TIP3    H252702  -0.140  -4.306   1.617
+ 1546TIP3   OH252703   0.559   3.550   2.623
+ 1546TIP3    H152704   0.622   3.573   2.693
+ 1546TIP3    H252705   0.512   3.474   2.661
+ 1546TIP3   OH252706   0.622   3.494   1.748
+ 1546TIP3    H152707   0.643   3.543   1.667
+ 1546TIP3    H252708   0.673   3.542   1.815
+ 1546TIP3   OH252709   0.366   3.694   1.843
+ 1546TIP3    H152710   0.445   3.749   1.857
+ 1546TIP3    H252711   0.337   3.677   1.934
+ 1546TIP3   OH252712   0.405   3.794   2.755
+ 1546TIP3    H152713   0.421   3.851   2.833
+ 1546TIP3    H252714   0.459   3.717   2.777
+ 1546TIP3   OH252715   0.425   3.395   1.936
+ 1546TIP3    H152716   0.410   3.464   2.003
+ 1546TIP3    H252717   0.498   3.434   1.884
+ 1547TIP3   OH252718  -0.003   3.494   1.589
+ 1547TIP3    H152719  -0.000   3.569   1.650
+ 1547TIP3    H252720   0.079   3.446   1.615
+ 1547TIP3   OH252721   1.031   3.585   2.846
+ 1547TIP3    H152722   0.936   3.596   2.832
+ 1547TIP3    H252723   1.057   3.559   2.756
+ 1547TIP3   OH252724   0.846   3.993   2.289
+ 1547TIP3    H152725   0.798   3.936   2.226
+ 1547TIP3    H252726   0.920   3.935   2.316
+ 1547TIP3   OH252727  -0.350   3.800   1.411
+ 1547TIP3    H152728  -0.336   3.895   1.427
+ 1547TIP3    H252729  -0.433   3.799   1.362
+ 1547TIP3   OH252730  -0.256   3.305   2.286
+ 1547TIP3    H152731  -0.273   3.302   2.190
+ 1547TIP3    H252732  -0.289   3.218   2.316
+ 1547TIP3   OH252733  -0.408   4.312   3.099
+ 1547TIP3    H152734  -0.421   4.216   3.109
+ 1547TIP3    H252735  -0.494   4.342   3.066
+ 1547TIP3   OH252736   0.186   4.329   3.044
+ 1547TIP3    H152737   0.187   4.345   2.948
+ 1547TIP3    H252738   0.221   4.238   3.049
+ 1547TIP3   OH252739   0.783  -4.378   2.807
+ 1547TIP3    H152740   0.864  -4.333   2.783
+ 1547TIP3    H252741   0.721  -4.304   2.812
+ 1547TIP3   OH252742  -0.347   4.025   3.065
+ 1547TIP3    H152743  -0.269   3.967   3.059
+ 1547TIP3    H252744  -0.348   4.044   3.161
+ 1547TIP3   OH252745   0.111   4.160   1.572
+ 1547TIP3    H152746   0.044   4.118   1.628
+ 1547TIP3    H252747   0.125   4.094   1.503
+ 1548TIP3   OH252748   0.036   3.941   2.809
+ 1548TIP3    H152749  -0.032   4.009   2.828
+ 1548TIP3    H252750   0.068   3.970   2.723
+ 1548TIP3   OH252751   0.193   3.957   1.399
+ 1548TIP3    H152752   0.189   3.970   1.302
+ 1548TIP3    H252753   0.289   3.956   1.414
+ 1548TIP3   OH252754   0.553   4.216   3.154
+ 1548TIP3    H152755   0.642   4.193   3.128
+ 1548TIP3    H252756   0.517   4.133   3.185
+ 1548TIP3   OH252757   1.121   4.189   1.321
+ 1548TIP3    H152758   1.114   4.183   1.224
+ 1548TIP3    H252759   1.127   4.285   1.337
+ 1548TIP3   OH252760   0.080   3.662   2.915
+ 1548TIP3    H152761   0.087   3.597   2.843
+ 1548TIP3    H252762   0.062   3.744   2.866
+ 1548TIP3   OH252763   0.114   3.513   2.660
+ 1548TIP3    H152764   0.164   3.559   2.591
+ 1548TIP3    H252765   0.023   3.512   2.625
+ 1548TIP3   OH252766   0.322   4.096   2.682
+ 1548TIP3    H152767   0.328   4.024   2.619
+ 1548TIP3    H252768   0.245   4.147   2.653
+ 1548TIP3   OH252769   0.729   3.849   3.177
+ 1548TIP3    H152770   0.746   3.755   3.194
+ 1548TIP3    H252771   0.819   3.884   3.174
+ 1548TIP3   OH252772   0.826   4.127   3.000
+ 1548TIP3    H152773   0.802   4.203   2.942
+ 1548TIP3    H252774   0.921   4.120   2.981
+ 1548TIP3   OH252775  -0.105   3.853   3.088
+ 1548TIP3    H152776  -0.155   3.769   3.094
+ 1548TIP3    H252777  -0.020   3.822   3.053
+ 1549TIP3   OH252778   0.186   3.244   2.696
+ 1549TIP3    H152779   0.168   3.339   2.680
+ 1549TIP3    H252780   0.116   3.201   2.642
+ 1549TIP3   OH252781   0.313   3.702   3.072
+ 1549TIP3    H152782   0.281   3.681   3.161
+ 1549TIP3    H252783   0.233   3.681   3.020
+ 1549TIP3   OH252784   0.566   3.606   2.960
+ 1549TIP3    H152785   0.478   3.612   3.001
+ 1549TIP3    H252786   0.612   3.543   3.019
+ 1549TIP3   OH252787   0.750   3.454   3.132
+ 1549TIP3    H152788   0.736   3.359   3.148
+ 1549TIP3    H252789   0.733   3.494   3.219
+ 1549TIP3   OH252790  -0.232   3.594   3.079
+ 1549TIP3    H152791  -0.240   3.523   3.013
+ 1549TIP3    H252792  -0.254   3.546   3.161
+ 1549TIP3   OH252793   0.170   3.192   2.977
+ 1549TIP3    H152794   0.230   3.115   2.983
+ 1549TIP3    H252795   0.168   3.206   2.881
+ 1549TIP3   OH252796   0.265   3.379   3.162
+ 1549TIP3    H152797   0.235   3.319   3.090
+ 1549TIP3    H252798   0.195   3.446   3.164
+ 1549TIP3   OH252799   1.199   4.357   1.757
+ 1549TIP3    H152800   1.295   4.367   1.747
+ 1549TIP3    H252801   1.190   4.277   1.810
+ 1549TIP3   OH252802   1.233   4.133   1.923
+ 1549TIP3    H152803   1.161   4.087   1.970
+ 1549TIP3    H252804   1.301   4.146   1.992
+ 1549TIP3   OH252805   1.257   4.093   1.577
+ 1549TIP3    H152806   1.196   4.117   1.506
+ 1549TIP3    H252807   1.246   4.168   1.637
+ 1550TIP3   OH252808   1.085   3.843   1.411
+ 1550TIP3    H152809   1.105   3.906   1.340
+ 1550TIP3    H252810   1.061   3.762   1.361
+ 1550TIP3   OH252811   1.001   3.963   2.011
+ 1550TIP3    H152812   1.008   3.867   1.998
+ 1550TIP3    H252813   0.978   3.970   2.105
+ 1550TIP3   OH252814  -0.507   4.181   2.385
+ 1550TIP3    H152815  -0.485   4.195   2.291
+ 1550TIP3    H252816  -0.419   4.172   2.425
+ 1550TIP3   OH252817   1.098   4.165   2.926
+ 1550TIP3    H152818   1.169   4.099   2.945
+ 1550TIP3    H252819   1.146   4.244   2.896
+ 1550TIP3   OH252820   1.243   3.965   3.033
+ 1550TIP3    H152821   1.161   3.912   3.019
+ 1550TIP3    H252822   1.310   3.895   3.041
+ 1550TIP3   OH252823   1.030   3.579   1.330
+ 1550TIP3    H152824   1.089   3.529   1.389
+ 1550TIP3    H252825   0.951   3.524   1.323
+ 1550TIP3   OH252826   1.013   3.709   1.829
+ 1550TIP3    H152827   1.037   3.614   1.833
+ 1550TIP3    H252828   1.093   3.745   1.786
+ 1550TIP3   OH252829   1.032   3.785   2.364
+ 1550TIP3    H152830   1.130   3.785   2.361
+ 1550TIP3    H252831   1.018   3.773   2.459
+ 1550TIP3   OH252832   1.041   3.844   2.660
+ 1550TIP3    H152833   0.954   3.885   2.674
+ 1550TIP3    H252834   1.094   3.920   2.628
+ 1550TIP3   OH252835  -0.502   3.716   3.015
+ 1550TIP3    H152836  -0.408   3.691   3.022
+ 1550TIP3    H252837  -0.544   3.629   3.024
+ 1551TIP3   OH252838   1.307   3.253   3.179
+ 1551TIP3    H152839   1.349   3.183   3.125
+ 1551TIP3    H252840   1.311   3.330   3.120
+ 1551TIP3   OH252841   1.057   3.430   1.822
+ 1551TIP3    H152842   1.071   3.395   1.912
+ 1551TIP3    H252843   0.979   3.378   1.794
+ 1551TIP3   OH252844  -0.423   3.547   2.299
+ 1551TIP3    H152845  -0.378   3.461   2.304
+ 1551TIP3    H252846  -0.354   3.607   2.332
+ 1551TIP3   OH252847  -0.567   3.815   2.406
+ 1551TIP3    H152848  -0.511   3.809   2.327
+ 1551TIP3    H252849  -0.534   3.896   2.446
+ 1551TIP3   OH252850   1.246   3.458   3.003
+ 1551TIP3    H152851   1.158   3.499   3.009
+ 1551TIP3    H252852   1.234   3.402   2.924
+ 1551TIP3   OH252853   1.255   3.476   1.488
+ 1551TIP3    H152854   1.286   3.395   1.444
+ 1551TIP3    H252855   1.337   3.527   1.497
+ 1551TIP3   OH252856  -0.519   3.451   1.810
+ 1551TIP3    H152857  -0.614   3.452   1.787
+ 1551TIP3    H252858  -0.479   3.509   1.742
+ 1551TIP3   OH252859  -0.513   3.339   2.624
+ 1551TIP3    H152860  -0.584   3.308   2.681
+ 1551TIP3    H252861  -0.564   3.388   2.556
+ 1551TIP3   OH252862   1.132   3.280   2.801
+ 1551TIP3    H152863   1.051   3.298   2.751
+ 1551TIP3    H252864   1.154   3.190   2.770
+ 1551TIP3   OH252865   0.471   3.431   2.245
+ 1551TIP3    H152866   0.405   3.361   2.262
+ 1551TIP3    H252867   0.535   3.384   2.190
+ 1552TIP3   OH252868   0.969   3.237   2.297
+ 1552TIP3    H152869   1.046   3.276   2.253
+ 1552TIP3    H252870   0.896   3.260   2.237
+ 1552TIP3   OH252871   1.176   3.343   2.080
+ 1552TIP3    H152872   1.248   3.299   2.031
+ 1552TIP3    H252873   1.211   3.434   2.089
+ 1552TIP3   OH252874  -0.290   3.300   2.005
+ 1552TIP3    H152875  -0.377   3.288   1.960
+ 1552TIP3    H252876  -0.249   3.213   1.989
+ 1552TIP3   OH252877  -0.408   3.250   1.592
+ 1552TIP3    H152878  -0.358   3.315   1.540
+ 1552TIP3    H252879  -0.450   3.305   1.660
+ 1552TIP3   OH252880   0.156   3.288   1.992
+ 1552TIP3    H152881   0.250   3.311   1.976
+ 1552TIP3    H252882   0.156   3.273   2.087
+ 1552TIP3   OH252883   0.714   3.289   2.132
+ 1552TIP3    H152884   0.743   3.271   2.042
+ 1552TIP3    H252885   0.678   3.202   2.158
+ 1552TIP3   OH252886   0.826   3.289   1.733
+ 1552TIP3    H152887   0.743   3.336   1.715
+ 1552TIP3    H252888   0.793   3.198   1.745
+ 1552TIP3   OH252889  -0.238   3.432   1.436
+ 1552TIP3    H152890  -0.178   3.376   1.384
+ 1552TIP3    H252891  -0.178   3.465   1.505
+ 1552TIP3   OH252892   0.271   3.451   1.697
+ 1552TIP3    H152893   0.306   3.393   1.765
+ 1552TIP3    H252894   0.292   3.538   1.735
+ 1552TIP3   OH252895  -0.311   3.324   2.957
+ 1552TIP3    H152896  -0.350   3.243   2.992
+ 1552TIP3    H252897  -0.218   3.312   2.983
+ 1553TIP3   OH252898  -0.072   3.263   3.129
+ 1553TIP3    H152899   0.010   3.229   3.089
+ 1553TIP3    H252900  -0.106   3.183   3.173
+ 1553TIP3   OH252901   0.740   3.175   3.147
+ 1553TIP3    H152902   0.743   3.132   3.235
+ 1553TIP3    H252903   0.834   3.171   3.121
+ 1553TIP3   OH252904   2.498   4.205   2.012
+ 1553TIP3    H152905   2.467   4.296   2.007
+ 1553TIP3    H252906   2.425   4.160   1.966
+ 1553TIP3   OH252907   2.377   4.136   2.339
+ 1553TIP3    H152908   2.381   4.082   2.419
+ 1553TIP3    H252909   2.350   4.072   2.272
+ 1553TIP3   OH252910   1.624   4.086   2.503
+ 1553TIP3    H152911   1.617   4.008   2.561
+ 1553TIP3    H252912   1.700   4.130   2.544
+ 1553TIP3   OH252913   1.393   3.881   1.891
+ 1553TIP3    H152914   1.355   3.969   1.901
+ 1553TIP3    H252915   1.321   3.833   1.848
+ 1553TIP3   OH252916   1.472   4.127   2.066
+ 1553TIP3    H152917   1.481   4.056   2.132
+ 1553TIP3    H252918   1.565   4.136   2.041
+ 1553TIP3   OH252919   3.102   3.520   2.460
+ 1553TIP3    H152920   3.124   3.585   2.528
+ 1553TIP3    H252921   3.157   3.550   2.386
+ 1553TIP3   OH252922   2.563   3.804   2.447
+ 1553TIP3    H152923   2.574   3.707   2.449
+ 1553TIP3    H252924   2.551   3.819   2.351
+ 1553TIP3   OH252925   1.859   3.606   2.153
+ 1553TIP3    H152926   1.872   3.691   2.106
+ 1553TIP3    H252927   1.823   3.553   2.079
+ 1554TIP3   OH252928   2.643   3.623   1.984
+ 1554TIP3    H152929   2.702   3.580   2.050
+ 1554TIP3    H252930   2.708   3.668   1.928
+ 1554TIP3   OH252931   1.519   3.872   2.206
+ 1554TIP3    H152932   1.589   3.830   2.259
+ 1554TIP3    H252933   1.533   3.830   2.119
+ 1554TIP3   OH252934   2.066   4.019   2.154
+ 1554TIP3    H152935   2.134   3.959   2.192
+ 1554TIP3    H252936   2.012   3.956   2.102
+ 1554TIP3   OH252937   3.180   3.661   2.704
+ 1554TIP3    H152938   3.118   3.731   2.677
+ 1554TIP3    H252939   3.157   3.653   2.798
+ 1554TIP3   OH252940   1.738   3.486   2.569
+ 1554TIP3    H152941   1.697   3.534   2.496
+ 1554TIP3    H252942   1.672   3.499   2.639
+ 1554TIP3   OH252943   1.993   4.282   2.543
+ 1554TIP3    H152944   1.917   4.341   2.553
+ 1554TIP3    H252945   2.066   4.344   2.531
+ 1554TIP3   OH252946   2.827   3.546   2.187
+ 1554TIP3    H152947   2.786   3.486   2.250
+ 1554TIP3    H252948   2.875   3.607   2.245
+ 1554TIP3   OH252949   1.698   3.689   2.362
+ 1554TIP3    H152950   1.763   3.746   2.408
+ 1554TIP3    H252951   1.755   3.652   2.291
+ 1554TIP3   OH252952   2.840   3.466   2.572
+ 1554TIP3    H152953   2.762   3.501   2.524
+ 1554TIP3    H252954   2.911   3.479   2.506
+ 1554TIP3   OH252955   2.152   3.233   2.278
+ 1554TIP3    H152956   2.129   3.138   2.272
+ 1554TIP3    H252957   2.069   3.270   2.315
+ 1555TIP3   OH252958   2.349   4.140   1.752
+ 1555TIP3    H152959   2.286   4.189   1.696
+ 1555TIP3    H252960   2.425   4.133   1.691
+ 1555TIP3   OH252961   2.390   3.941   1.470
+ 1555TIP3    H152962   2.463   3.979   1.522
+ 1555TIP3    H252963   2.439   3.892   1.402
+ 1555TIP3   OH252964   3.103   4.055   2.574
+ 1555TIP3    H152965   3.037   4.127   2.588
+ 1555TIP3    H252966   3.154   4.095   2.501
+ 1555TIP3   OH252967   2.721   4.141   1.853
+ 1555TIP3    H152968   2.655   4.163   1.921
+ 1555TIP3    H252969   2.786   4.089   1.903
+ 1555TIP3   OH252970   2.695   3.981   2.745
+ 1555TIP3    H152971   2.696   4.059   2.802
+ 1555TIP3    H252972   2.637   4.014   2.674
+ 1555TIP3   OH252973   1.876   4.212   2.043
+ 1555TIP3    H152974   1.853   4.181   1.954
+ 1555TIP3    H252975   1.950   4.153   2.065
+ 1555TIP3   OH252976   1.931   4.069   2.393
+ 1555TIP3    H152977   1.986   4.073   2.312
+ 1555TIP3    H252978   1.963   4.144   2.446
+ 1555TIP3   OH252979   2.602   4.073   1.616
+ 1555TIP3    H152980   2.659   4.102   1.691
+ 1555TIP3    H252981   2.648   4.119   1.541
+ 1555TIP3   OH252982   1.713   4.148   2.772
+ 1555TIP3    H152983   1.722   4.211   2.848
+ 1555TIP3    H252984   1.617   4.133   2.773
+ 1555TIP3   OH252985   2.952   3.246   1.559
+ 1555TIP3    H152986   2.864   3.255   1.599
+ 1555TIP3    H252987   2.987   3.337   1.565
+ 1556TIP3   OH252988   1.763   4.088   1.796
+ 1556TIP3    H152989   1.746   4.166   1.739
+ 1556TIP3    H252990   1.698   4.025   1.763
+ 1556TIP3   OH252991   1.326   4.290   2.659
+ 1556TIP3    H152992   1.365   4.326   2.578
+ 1556TIP3    H252993   1.405   4.273   2.712
+ 1556TIP3   OH252994   2.894   3.836   2.978
+ 1556TIP3    H152995   2.841   3.875   2.907
+ 1556TIP3    H252996   2.899   3.743   2.948
+ 1556TIP3   OH252997   1.910   3.348   2.369
+ 1556TIP3    H152998   1.828   3.340   2.317
+ 1556TIP3    H252999   1.885   3.421   2.428
+ 1556TIP3   OH253000   2.345   3.310   2.737
+ 1556TIP3    H153001   2.396   3.250   2.794
+ 1556TIP3    H253002   2.254   3.275   2.744
+ 1556TIP3   OH253003   2.666   3.686   2.789
+ 1556TIP3    H153004   2.599   3.673   2.859
+ 1556TIP3    H253005   2.655   3.780   2.766
+ 1556TIP3   OH253006   2.742   4.175   1.410
+ 1556TIP3    H153007   2.735   4.160   1.314
+ 1556TIP3    H253008   2.831   4.215   1.417
+ 1556TIP3   OH253009   2.328   3.556   1.459
+ 1556TIP3    H153010   2.277   3.544   1.541
+ 1556TIP3    H253011   2.286   3.490   1.402
+ 1556TIP3   OH253012   1.898   3.824   2.513
+ 1556TIP3    H153013   1.832   3.837   2.584
+ 1556TIP3    H253014   1.906   3.914   2.475
+ 1556TIP3   OH253015   1.890   3.835   1.996
+ 1556TIP3    H153016   1.794   3.828   1.980
+ 1556TIP3    H253017   1.924   3.815   1.907
+ 1557TIP3   OH253018   2.451   3.900   1.878
+ 1557TIP3    H153019   2.404   3.975   1.837
+ 1557TIP3    H253020   2.516   3.879   1.809
+ 1557TIP3   OH253021   2.370   3.921   3.018
+ 1557TIP3    H153022   2.319   3.845   3.051
+ 1557TIP3    H253023   2.458   3.904   3.056
+ 1557TIP3   OH253024   2.536   3.831   2.151
+ 1557TIP3    H153025   2.507   3.885   2.075
+ 1557TIP3    H253026   2.559   3.749   2.103
+ 1557TIP3   OH253027   1.637   3.840   2.688
+ 1557TIP3    H153028   1.651   3.879   2.775
+ 1557TIP3    H253029   1.599   3.754   2.711
+ 1557TIP3   OH253030   1.971   3.603   1.349
+ 1557TIP3    H153031   1.934   3.567   1.433
+ 1557TIP3    H253032   1.892   3.616   1.296
+ 1557TIP3   OH253033   1.312   3.589   2.057
+ 1557TIP3    H153034   1.375   3.589   2.132
+ 1557TIP3    H253035   1.365   3.552   1.985
+ 1557TIP3   OH253036   1.473   3.634   1.628
+ 1557TIP3    H153037   1.528   3.681   1.562
+ 1557TIP3    H253038   1.404   3.699   1.645
+ 1557TIP3   OH253039   2.434   3.997   2.598
+ 1557TIP3    H153040   2.486   3.931   2.547
+ 1557TIP3    H253041   2.403   3.943   2.672
+ 1557TIP3   OH253042   2.167   3.595   2.101
+ 1557TIP3    H153043   2.072   3.591   2.121
+ 1557TIP3    H253044   2.206   3.573   2.188
+ 1557TIP3   OH253045   1.621   3.716   1.969
+ 1557TIP3    H153046   1.541   3.744   1.921
+ 1557TIP3    H253047   1.651   3.638   1.919
+ 1558TIP3   OH253048   1.987   3.751   1.735
+ 1558TIP3    H153049   2.083   3.759   1.739
+ 1558TIP3    H253050   1.961   3.810   1.662
+ 1558TIP3   OH253051   2.606   3.507   2.403
+ 1558TIP3    H153052   2.540   3.508   2.476
+ 1558TIP3    H253053   2.550   3.472   2.331
+ 1558TIP3   OH253054   1.830   3.876   1.513
+ 1558TIP3    H153055   1.774   3.844   1.441
+ 1558TIP3    H253056   1.912   3.897   1.465
+ 1558TIP3   OH253057   1.726   4.317   2.979
+ 1558TIP3    H153058   1.780   4.366   3.043
+ 1558TIP3    H253059   1.644   4.304   3.031
+ 1558TIP3   OH253060   2.268   3.851   2.284
+ 1558TIP3    H153061   2.340   3.806   2.237
+ 1558TIP3    H253062   2.252   3.789   2.358
+ 1558TIP3   OH253063   1.798   3.490   1.900
+ 1558TIP3    H153064   1.742   3.411   1.914
+ 1558TIP3    H253065   1.878   3.452   1.861
+ 1558TIP3   OH253066   2.166   3.695   2.505
+ 1558TIP3    H153067   2.086   3.751   2.507
+ 1558TIP3    H253068   2.213   3.722   2.586
+ 1558TIP3   OH253069   2.151   4.360   1.704
+ 1558TIP3    H153070   2.095   4.297   1.655
+ 1558TIP3    H253071   2.164   4.319   1.790
+ 1558TIP3   OH253072   2.926   4.267   2.564
+ 1558TIP3    H153073   2.951   4.312   2.482
+ 1558TIP3    H253074   2.831   4.254   2.545
+ 1558TIP3   OH253075   2.595   3.616   1.473
+ 1558TIP3    H153076   2.497   3.613   1.469
+ 1558TIP3    H253077   2.613   3.689   1.536
+ 1559TIP3   OH253078   2.663   3.798   1.682
+ 1559TIP3    H153079   2.752   3.782   1.719
+ 1559TIP3    H253080   2.673   3.885   1.639
+ 1559TIP3   OH253081   1.681   4.216   2.241
+ 1559TIP3    H153082   1.765   4.236   2.194
+ 1559TIP3    H253083   1.711   4.175   2.323
+ 1559TIP3   OH253084   1.438   4.075   2.809
+ 1559TIP3    H153085   1.433   4.036   2.898
+ 1559TIP3    H253086   1.359   4.040   2.765
+ 1559TIP3   OH253087   2.115   4.052   3.005
+ 1559TIP3    H153088   2.078   4.027   2.919
+ 1559TIP3    H253089   2.209   4.028   2.993
+ 1559TIP3   OH253090   3.121   3.797   1.653
+ 1559TIP3    H153091   3.066   3.778   1.574
+ 1559TIP3    H253092   3.134   3.893   1.638
+ 1559TIP3   OH253093   2.668   4.180   2.432
+ 1559TIP3    H153094   2.578   4.183   2.398
+ 1559TIP3    H253095   2.716   4.135   2.361
+ 1559TIP3   OH253096   1.523   4.095   1.457
+ 1559TIP3    H153097   1.583   4.154   1.505
+ 1559TIP3    H253098   1.438   4.113   1.503
+ 1559TIP3   OH253099   1.548   3.566   2.769
+ 1559TIP3    H153100   1.458   3.590   2.740
+ 1559TIP3    H253101   1.534   3.478   2.807
+ 1559TIP3   OH253102   1.699  -4.388   1.640
+ 1559TIP3    H153103   1.610  -4.352   1.658
+ 1559TIP3    H253104   1.746  -4.306   1.620
+ 1559TIP3   OH253105   2.446   3.550   2.622
+ 1559TIP3    H153106   2.509   3.572   2.693
+ 1559TIP3    H253107   2.395   3.476   2.661
+ 1560TIP3   OH253108   2.511   3.492   1.748
+ 1560TIP3    H153109   2.527   3.545   1.668
+ 1560TIP3    H253110   2.556   3.544   1.816
+ 1560TIP3   OH253111   2.254   3.691   1.843
+ 1560TIP3    H153112   2.329   3.752   1.858
+ 1560TIP3    H253113   2.222   3.676   1.934
+ 1560TIP3   OH253114   2.292   3.793   2.759
+ 1560TIP3    H153115   2.297   3.841   2.843
+ 1560TIP3    H253116   2.340   3.711   2.779
+ 1560TIP3   OH253117   2.312   3.394   1.938
+ 1560TIP3    H153118   2.290   3.465   2.001
+ 1560TIP3    H253119   2.383   3.435   1.885
+ 1560TIP3   OH253120   1.883   3.494   1.588
+ 1560TIP3    H153121   1.885   3.570   1.649
+ 1560TIP3    H253122   1.964   3.446   1.615
+ 1560TIP3   OH253123   2.917   3.582   2.843
+ 1560TIP3    H153124   2.821   3.597   2.829
+ 1560TIP3    H253125   2.941   3.562   2.751
+ 1560TIP3   OH253126   2.770   3.966   2.242
+ 1560TIP3    H153127   2.685   3.924   2.222
+ 1560TIP3    H253128   2.816   3.897   2.295
+ 1560TIP3   OH253129   1.536   3.800   1.410
+ 1560TIP3    H153130   1.551   3.894   1.427
+ 1560TIP3    H253131   1.452   3.800   1.363
+ 1560TIP3   OH253132   1.630   3.305   2.286
+ 1560TIP3    H153133   1.613   3.302   2.190
+ 1560TIP3    H253134   1.597   3.217   2.316
+ 1560TIP3   OH253135   1.481   4.307   3.089
+ 1560TIP3    H153136   1.460   4.212   3.097
+ 1560TIP3    H253137   1.397   4.350   3.072
+ 1561TIP3   OH253138   2.072   4.330   3.048
+ 1561TIP3    H153139   2.075   4.349   2.952
+ 1561TIP3    H253140   2.104   4.238   3.050
+ 1561TIP3   OH253141   2.671  -4.374   2.822
+ 1561TIP3    H153142   2.750  -4.332   2.784
+ 1561TIP3    H253143   2.601  -4.314   2.793
+ 1561TIP3   OH253144   1.538   4.024   3.070
+ 1561TIP3    H153145   1.616   3.966   3.061
+ 1561TIP3    H253146   1.540   4.044   3.165
+ 1561TIP3   OH253147   1.995   4.161   1.575
+ 1561TIP3    H153148   1.928   4.118   1.630
+ 1561TIP3    H253149   2.010   4.094   1.505
+ 1561TIP3   OH253150   1.913   3.935   2.808
+ 1561TIP3    H153151   1.852   4.011   2.820
+ 1561TIP3    H253152   1.971   3.968   2.737
+ 1561TIP3   OH253153   2.078   3.957   1.398
+ 1561TIP3    H153154   2.075   3.971   1.302
+ 1561TIP3    H253155   2.174   3.957   1.415
+ 1561TIP3   OH253156   2.441   4.218   3.160
+ 1561TIP3    H153157   2.527   4.193   3.122
+ 1561TIP3    H253158   2.403   4.133   3.182
+ 1561TIP3   OH253159   3.011   4.189   1.320
+ 1561TIP3    H153160   2.997   4.184   1.224
+ 1561TIP3    H253161   3.010   4.285   1.339
+ 1561TIP3   OH253162   1.969   3.664   2.915
+ 1561TIP3    H153163   1.972   3.598   2.844
+ 1561TIP3    H253164   1.946   3.745   2.865
+ 1561TIP3   OH253165   2.000   3.511   2.661
+ 1561TIP3    H153166   2.050   3.562   2.595
+ 1561TIP3    H253167   1.908   3.513   2.624
+ 1562TIP3   OH253168   2.151   4.069   2.690
+ 1562TIP3    H153169   2.234   4.056   2.642
+ 1562TIP3    H253170   2.118   4.152   2.653
+ 1562TIP3   OH253171   2.614   3.851   3.174
+ 1562TIP3    H153172   2.632   3.759   3.198
+ 1562TIP3    H253173   2.703   3.888   3.173
+ 1562TIP3   OH253174   2.710   4.138   3.015
+ 1562TIP3    H153175   2.685   4.209   2.951
+ 1562TIP3    H253176   2.800   4.117   2.984
+ 1562TIP3   OH253177   1.783   3.850   3.095
+ 1562TIP3    H153178   1.732   3.768   3.094
+ 1562TIP3    H253179   1.864   3.823   3.049
+ 1562TIP3   OH253180   2.073   3.244   2.695
+ 1562TIP3    H153181   2.052   3.339   2.678
+ 1562TIP3    H253182   2.005   3.199   2.642
+ 1562TIP3   OH253183   2.200   3.700   3.073
+ 1562TIP3    H153184   2.161   3.681   3.161
+ 1562TIP3    H253185   2.121   3.682   3.018
+ 1562TIP3   OH253186   2.451   3.608   2.962
+ 1562TIP3    H153187   2.360   3.617   2.996
+ 1562TIP3    H253188   2.488   3.543   3.022
+ 1562TIP3   OH253189   2.654   3.426   3.153
+ 1562TIP3    H153190   2.577   3.369   3.164
+ 1562TIP3    H253191   2.631   3.500   3.215
+ 1562TIP3   OH253192   1.655   3.594   3.079
+ 1562TIP3    H153193   1.645   3.524   3.012
+ 1562TIP3    H253194   1.632   3.546   3.160
+ 1562TIP3   OH253195   2.058   3.193   2.977
+ 1562TIP3    H153196   2.116   3.115   2.981
+ 1562TIP3    H253197   2.052   3.206   2.881
+ 1563TIP3   OH253198   2.154   3.381   3.160
+ 1563TIP3    H153199   2.123   3.319   3.091
+ 1563TIP3    H253200   2.082   3.445   3.164
+ 1563TIP3   OH253201   3.090   4.364   1.762
+ 1563TIP3    H153202   3.185   4.360   1.744
+ 1563TIP3    H253203   3.072   4.279   1.806
+ 1563TIP3   OH253204   3.126   4.132   1.924
+ 1563TIP3    H153205   3.049   4.088   1.964
+ 1563TIP3    H253206   3.185   4.148   2.000
+ 1563TIP3   OH253207   3.144   4.094   1.576
+ 1563TIP3    H153208   3.081   4.115   1.505
+ 1563TIP3    H253209   3.130   4.167   1.637
+ 1563TIP3   OH253210   2.973   3.842   1.410
+ 1563TIP3    H153211   2.991   3.906   1.340
+ 1563TIP3    H253212   2.947   3.762   1.361
+ 1563TIP3   OH253213   2.901   3.965   2.000
+ 1563TIP3    H153214   2.897   3.869   1.985
+ 1563TIP3    H253215   2.864   3.973   2.090
+ 1563TIP3   OH253216   1.389   4.193   2.385
+ 1563TIP3    H153217   1.408   4.197   2.290
+ 1563TIP3    H253218   1.475   4.166   2.421
+ 1563TIP3   OH253219   2.986   4.161   2.922
+ 1563TIP3    H153220   3.059   4.101   2.949
+ 1563TIP3    H253221   3.030   4.244   2.897
+ 1563TIP3   OH253222   3.129   3.963   3.037
+ 1563TIP3    H153223   3.048   3.911   3.018
+ 1563TIP3    H253224   3.197   3.893   3.036
+ 1563TIP3   OH253225   2.916   3.578   1.329
+ 1563TIP3    H153226   2.973   3.528   1.390
+ 1563TIP3    H253227   2.836   3.525   1.322
+ 1564TIP3   OH253228   2.899   3.706   1.827
+ 1564TIP3    H153229   2.923   3.611   1.830
+ 1564TIP3    H253230   2.979   3.742   1.784
+ 1564TIP3   OH253231   2.921   3.764   2.368
+ 1564TIP3    H153232   3.017   3.779   2.366
+ 1564TIP3    H253233   2.904   3.770   2.464
+ 1564TIP3   OH253234   2.940   3.837   2.652
+ 1564TIP3    H153235   2.852   3.873   2.675
+ 1564TIP3    H253236   2.988   3.918   2.627
+ 1564TIP3   OH253237   1.385   3.717   3.020
+ 1564TIP3    H153238   1.478   3.690   3.019
+ 1564TIP3    H253239   1.340   3.630   3.024
+ 1564TIP3   OH253240   3.164   3.236   3.166
+ 1564TIP3    H153241   3.220   3.176   3.112
+ 1564TIP3    H253242   3.172   3.319   3.115
+ 1564TIP3   OH253243   2.945   3.427   1.822
+ 1564TIP3    H153244   2.954   3.394   1.913
+ 1564TIP3    H253245   2.865   3.378   1.792
+ 1564TIP3   OH253246   1.461   3.546   2.300
+ 1564TIP3    H153247   1.509   3.461   2.305
+ 1564TIP3    H253248   1.530   3.607   2.332
+ 1564TIP3   OH253249   1.317   3.813   2.401
+ 1564TIP3    H153250   1.378   3.812   2.326
+ 1564TIP3    H253251   1.348   3.892   2.448
+ 1564TIP3   OH253252   3.137   3.463   3.004
+ 1564TIP3    H153253   3.048   3.501   3.013
+ 1564TIP3    H253254   3.119   3.400   2.931
+ 1564TIP3   OH253255   3.142   3.474   1.491
+ 1564TIP3    H153256   3.171   3.395   1.443
+ 1564TIP3    H253257   3.222   3.528   1.494
+ 1565TIP3   OH253258   1.367   3.448   1.807
+ 1565TIP3    H153259   1.272   3.454   1.786
+ 1565TIP3    H253260   1.407   3.509   1.742
+ 1565TIP3   OH253261   1.371   3.342   2.625
+ 1565TIP3    H153262   1.301   3.309   2.681
+ 1565TIP3    H253263   1.321   3.387   2.555
+ 1565TIP3   OH253264   3.011   3.268   2.829
+ 1565TIP3    H153265   2.930   3.294   2.783
+ 1565TIP3    H253266   3.032   3.182   2.786
+ 1565TIP3   OH253267   2.361   3.429   2.250
+ 1565TIP3    H153268   2.291   3.362   2.264
+ 1565TIP3    H253269   2.418   3.384   2.187
+ 1565TIP3   OH253270   2.855   3.235   2.296
+ 1565TIP3    H153271   2.930   3.277   2.251
+ 1565TIP3    H253272   2.780   3.259   2.239
+ 1565TIP3   OH253273   3.064   3.341   2.083
+ 1565TIP3    H153274   3.134   3.300   2.029
+ 1565TIP3    H253275   3.095   3.434   2.090
+ 1565TIP3   OH253276   1.595   3.300   2.005
+ 1565TIP3    H153277   1.509   3.288   1.960
+ 1565TIP3    H253278   1.637   3.213   1.989
+ 1565TIP3   OH253279   1.477   3.250   1.592
+ 1565TIP3    H153280   1.528   3.316   1.540
+ 1565TIP3    H253281   1.436   3.305   1.661
+ 1565TIP3   OH253282   2.042   3.286   1.991
+ 1565TIP3    H153283   2.135   3.312   1.978
+ 1565TIP3    H253284   2.039   3.274   2.087
+ 1565TIP3   OH253285   2.604   3.287   2.134
+ 1565TIP3    H153286   2.627   3.271   2.042
+ 1565TIP3    H253287   2.562   3.202   2.158
+ 1566TIP3   OH253288   2.713   3.288   1.731
+ 1566TIP3    H153289   2.631   3.339   1.717
+ 1566TIP3    H253290   2.678   3.198   1.745
+ 1566TIP3   OH253291   1.647   3.432   1.435
+ 1566TIP3    H153292   1.708   3.376   1.384
+ 1566TIP3    H253293   1.707   3.465   1.505
+ 1566TIP3   OH253294   2.157   3.451   1.696
+ 1566TIP3    H153295   2.191   3.393   1.766
+ 1566TIP3    H253296   2.177   3.538   1.735
+ 1566TIP3   OH253297   1.574   3.325   2.958
+ 1566TIP3    H153298   1.535   3.243   2.992
+ 1566TIP3    H253299   1.667   3.312   2.981
+ 1566TIP3   OH253300   1.816   3.264   3.132
+ 1566TIP3    H153301   1.896   3.228   3.090
+ 1566TIP3    H253302   1.778   3.184   3.172
+ 1566TIP3   OH253303   2.708   3.147   3.145
+ 1566TIP3    H153304   2.644   3.142   3.219
+ 1566TIP3    H253305   2.703   3.239   3.115
+ 1566TIP3   OH253306   4.195   4.093   2.349
+ 1566TIP3    H153307   4.266   4.120   2.410
+ 1566TIP3    H253308   4.238   4.094   2.264
+ 1566TIP3   OH253309   3.509   4.083   2.502
+ 1566TIP3    H153310   3.507   4.009   2.566
+ 1566TIP3    H253311   3.584   4.134   2.536
+ 1566TIP3   OH253312   3.279   3.884   1.893
+ 1566TIP3    H153313   3.237   3.971   1.901
+ 1566TIP3    H253314   3.209   3.832   1.852
+ 1566TIP3   OH253315   3.368   4.126   2.081
+ 1566TIP3    H153316   3.375   4.049   2.141
+ 1566TIP3    H253317   3.452   4.119   2.035
+ 1567TIP3   OH253318   3.739   3.605   2.160
+ 1567TIP3    H153319   3.756   3.690   2.114
+ 1567TIP3    H253320   3.708   3.552   2.084
+ 1567TIP3   OH253321   3.422   3.869   2.210
+ 1567TIP3    H153322   3.480   3.815   2.264
+ 1567TIP3    H253323   3.431   3.826   2.123
+ 1567TIP3   OH253324   3.954   4.014   2.152
+ 1567TIP3    H153325   4.023   3.957   2.193
+ 1567TIP3    H253326   3.901   3.947   2.104
+ 1567TIP3   OH253327   3.893   4.266   2.548
+ 1567TIP3    H153328   3.816   4.323   2.557
+ 1567TIP3    H253329   3.964   4.333   2.547
+ 1567TIP3   OH253330   3.588   3.660   2.385
+ 1567TIP3    H153331   3.633   3.743   2.410
+ 1567TIP3    H253332   3.634   3.636   2.301
+ 1567TIP3   OH253333   4.005   3.247   2.289
+ 1567TIP3    H153334   4.005   3.149   2.287
+ 1567TIP3    H253335   3.927   3.263   2.343
+ 1567TIP3   OH253336   4.268   4.123   1.745
+ 1567TIP3    H153337   4.198   4.189   1.727
+ 1567TIP3    H253338   4.327   4.142   1.672
+ 1567TIP3   OH253339   4.286   3.954   1.477
+ 1567TIP3    H153340   4.374   3.961   1.516
+ 1567TIP3    H253341   4.297   3.895   1.402
+ 1567TIP3   OH253342   3.759   4.204   2.047
+ 1567TIP3    H153343   3.741   4.178   1.956
+ 1567TIP3    H253344   3.840   4.154   2.067
+ 1567TIP3   OH253345   3.809   4.073   2.382
+ 1567TIP3    H153346   3.874   4.074   2.309
+ 1567TIP3    H253347   3.846   4.142   2.441
+ 1568TIP3   OH253348   3.596   4.147   2.773
+ 1568TIP3    H153349   3.610   4.211   2.846
+ 1568TIP3    H253350   3.499   4.142   2.772
+ 1568TIP3   OH253351   3.647   4.088   1.796
+ 1568TIP3    H153352   3.631   4.167   1.740
+ 1568TIP3    H253353   3.583   4.025   1.761
+ 1568TIP3   OH253354   3.244   4.311   2.675
+ 1568TIP3    H153355   3.244   4.294   2.579
+ 1568TIP3    H253356   3.276   4.226   2.711
+ 1568TIP3   OH253357   4.231   3.284   2.793
+ 1568TIP3    H153358   4.249   3.214   2.857
+ 1568TIP3    H253359   4.139   3.263   2.767
+ 1568TIP3   OH253360   4.234   3.561   1.467
+ 1568TIP3    H153361   4.170   3.548   1.537
+ 1568TIP3    H253362   4.202   3.498   1.401
+ 1568TIP3   OH253363   3.764   3.824   2.511
+ 1568TIP3    H153364   3.720   3.858   2.592
+ 1568TIP3    H253365   3.791   3.909   2.469
+ 1568TIP3   OH253366   3.775   3.831   1.998
+ 1568TIP3    H153367   3.679   3.826   1.981
+ 1568TIP3    H253368   3.810   3.817   1.908
+ 1568TIP3   OH253369   4.270   3.891   1.949
+ 1568TIP3    H153370   4.262   3.983   1.915
+ 1568TIP3    H253371   4.364   3.883   1.969
+ 1568TIP3   OH253372   3.521   3.838   2.686
+ 1568TIP3    H153373   3.538   3.880   2.771
+ 1568TIP3    H253374   3.478   3.755   2.713
+ 1568TIP3   OH253375   3.863   3.605   1.351
+ 1568TIP3    H153376   3.820   3.567   1.430
+ 1568TIP3    H253377   3.788   3.621   1.293
+ 1569TIP3   OH253378   3.201   3.593   2.059
+ 1569TIP3    H153379   3.264   3.579   2.133
+ 1569TIP3    H253380   3.247   3.553   1.983
+ 1569TIP3   OH253381   3.361   3.635   1.630
+ 1569TIP3    H153382   3.413   3.682   1.561
+ 1569TIP3    H253383   3.289   3.698   1.645
+ 1569TIP3   OH253384   4.313   3.984   2.605
+ 1569TIP3    H153385   4.374   3.915   2.572
+ 1569TIP3    H253386   4.270   3.933   2.676
+ 1569TIP3   OH253387   4.049   3.574   2.102
+ 1569TIP3    H153388   3.955   3.586   2.123
+ 1569TIP3    H253389   4.090   3.601   2.186
+ 1569TIP3   OH253390   3.507   3.717   1.970
+ 1569TIP3    H153391   3.426   3.744   1.923
+ 1569TIP3    H253392   3.535   3.638   1.920
+ 1569TIP3   OH253393   3.874   3.747   1.732
+ 1569TIP3    H153394   3.969   3.765   1.738
+ 1569TIP3    H253395   3.843   3.808   1.662
+ 1569TIP3   OH253396   3.722   3.876   1.513
+ 1569TIP3    H153397   3.663   3.847   1.441
+ 1569TIP3    H253398   3.803   3.893   1.464
+ 1569TIP3   OH253399   3.608   4.315   2.980
+ 1569TIP3    H153400   3.669   4.361   3.040
+ 1569TIP3    H253401   3.530   4.305   3.038
+ 1569TIP3   OH253402   4.127   3.798   2.267
+ 1569TIP3    H153403   4.205   3.790   2.210
+ 1569TIP3    H253404   4.172   3.802   2.354
+ 1569TIP3   OH253405   3.684   3.487   1.905
+ 1569TIP3    H153406   3.627   3.409   1.916
+ 1569TIP3    H253407   3.760   3.451   1.857
+ 1570TIP3   OH253408   4.015   3.653   2.552
+ 1570TIP3    H153409   3.977   3.729   2.506
+ 1570TIP3    H253410   4.094   3.694   2.591
+ 1570TIP3   OH253411   4.072   4.327   1.709
+ 1570TIP3    H153412   3.997   4.289   1.658
+ 1570TIP3    H253413   4.039   4.325   1.800
+ 1570TIP3   OH253414   3.595   4.239   2.258
+ 1570TIP3    H153415   3.663   4.237   2.187
+ 1570TIP3    H253416   3.622   4.163   2.311
+ 1570TIP3   OH253417   3.311   4.080   2.801
+ 1570TIP3    H153418   3.319   4.042   2.891
+ 1570TIP3    H253419   3.236   4.031   2.763
+ 1570TIP3   OH253420   4.000   4.015   3.011
+ 1570TIP3    H153421   3.974   4.021   2.918
+ 1570TIP3    H253422   4.090   4.054   3.005
+ 1570TIP3   OH253423   3.409   4.093   1.458
+ 1570TIP3    H153424   3.467   4.155   1.505
+ 1570TIP3    H253425   3.323   4.111   1.502
+ 1570TIP3   OH253426   3.461   3.552   2.739
+ 1570TIP3    H153427   3.370   3.580   2.719
+ 1570TIP3    H253428   3.442   3.471   2.791
+ 1570TIP3   OH253429   3.586  -4.386   1.644
+ 1570TIP3    H153430   3.494  -4.353   1.655
+ 1570TIP3    H253431   3.630  -4.305   1.615
+ 1570TIP3   OH253432   4.323   3.592   2.671
+ 1570TIP3    H153433   4.395   3.534   2.696
+ 1570TIP3    H253434   4.267   3.534   2.619
+ 1570TIP3   OH253435   4.142   3.680   1.842
+ 1570TIP3    H153436   4.200   3.754   1.871
+ 1570TIP3    H253437   4.103   3.659   1.929
+ 1571TIP3   OH253438   4.176   3.796   2.779
+ 1571TIP3    H153439   4.194   3.830   2.868
+ 1571TIP3    H253440   4.244   3.726   2.771
+ 1571TIP3   OH253441   4.195   3.388   1.964
+ 1571TIP3    H153442   4.166   3.469   2.011
+ 1571TIP3    H253443   4.272   3.421   1.913
+ 1571TIP3   OH253444   3.767   3.494   1.589
+ 1571TIP3    H153445   3.772   3.573   1.646
+ 1571TIP3    H253446   3.849   3.447   1.612
+ 1571TIP3   OH253447   3.421   3.800   1.412
+ 1571TIP3    H153448   3.435   3.895   1.427
+ 1571TIP3    H253449   3.339   3.799   1.361
+ 1571TIP3   OH253450   3.560   3.309   2.309
+ 1571TIP3    H153451   3.549   3.318   2.213
+ 1571TIP3    H253452   3.512   3.226   2.327
+ 1571TIP3   OH253453   3.364   4.307   3.097
+ 1571TIP3    H153454   3.345   4.211   3.094
+ 1571TIP3    H253455   3.284   4.348   3.061
+ 1571TIP3   OH253456   3.948   4.324   3.049
+ 1571TIP3    H153457   3.957   4.344   2.954
+ 1571TIP3    H253458   4.015   4.253   3.058
+ 1571TIP3   OH253459   3.424   4.025   3.064
+ 1571TIP3    H153460   3.496   3.961   3.058
+ 1571TIP3    H253461   3.424   4.046   3.159
+ 1571TIP3   OH253462   3.877   4.163   1.580
+ 1571TIP3    H153463   3.811   4.114   1.630
+ 1571TIP3    H253464   3.899   4.100   1.509
+ 1571TIP3   OH253465   3.793   3.928   2.794
+ 1571TIP3    H153466   3.743   4.008   2.819
+ 1571TIP3    H253467   3.863   3.967   2.738
+ 1572TIP3   OH253468   3.977   3.955   1.401
+ 1572TIP3    H153469   3.971   3.967   1.304
+ 1572TIP3    H253470   4.072   3.970   1.416
+ 1572TIP3   OH253471   3.833   3.640   2.862
+ 1572TIP3    H153472   3.912   3.608   2.818
+ 1572TIP3    H253473   3.839   3.737   2.849
+ 1572TIP3   OH253474   4.037   4.051   2.670
+ 1572TIP3    H153475   4.126   4.045   2.629
+ 1572TIP3    H253476   4.016   4.144   2.652
+ 1572TIP3   OH253477   3.682   3.834   3.104
+ 1572TIP3    H153478   3.625   3.757   3.085
+ 1572TIP3    H253479   3.754   3.823   3.040
+ 1572TIP3   OH253480   3.950   3.283   2.711
+ 1572TIP3    H153481   3.950   3.370   2.673
+ 1572TIP3    H253482   3.894   3.232   2.648
+ 1572TIP3   OH253483   4.112   3.704   3.077
+ 1572TIP3    H153484   4.080   3.674   3.163
+ 1572TIP3    H253485   4.037   3.690   3.020
+ 1572TIP3   OH253486   3.531   3.594   3.069
+ 1572TIP3    H153487   3.524   3.516   3.010
+ 1572TIP3    H253488   3.513   3.554   3.156
+ 1572TIP3   OH253489   3.970   3.201   3.013
+ 1572TIP3    H153490   4.040   3.133   3.001
+ 1572TIP3    H253491   3.962   3.232   2.921
+ 1572TIP3   OH253492   3.273   4.188   2.396
+ 1572TIP3    H153493   3.281   4.203   2.301
+ 1572TIP3    H253494   3.364   4.161   2.421
+ 1572TIP3   OH253495   3.279   3.717   3.008
+ 1572TIP3    H153496   3.371   3.688   3.023
+ 1572TIP3    H253497   3.232   3.632   3.016
+ 1573TIP3   OH253498   3.353   3.530   2.292
+ 1573TIP3    H153499   3.402   3.447   2.302
+ 1573TIP3    H253500   3.411   3.591   2.339
+ 1573TIP3   OH253501   3.209   3.811   2.403
+ 1573TIP3    H153502   3.262   3.816   2.321
+ 1573TIP3    H253503   3.236   3.892   2.448
+ 1573TIP3   OH253504   3.252   3.452   1.812
+ 1573TIP3    H153505   3.158   3.452   1.788
+ 1573TIP3    H253506   3.292   3.509   1.743
+ 1573TIP3   OH253507   3.243   3.329   2.631
+ 1573TIP3    H153508   3.169   3.303   2.688
+ 1573TIP3    H253509   3.197   3.384   2.565
+ 1573TIP3   OH253510   4.260   3.378   2.264
+ 1573TIP3    H153511   4.167   3.353   2.258
+ 1573TIP3    H253512   4.291   3.367   2.173
+ 1573TIP3   OH253513   3.483   3.302   2.018
+ 1573TIP3    H153514   3.397   3.295   1.973
+ 1573TIP3    H253515   3.521   3.214   2.000
+ 1573TIP3   OH253516   3.365   3.249   1.593
+ 1573TIP3    H153517   3.413   3.315   1.540
+ 1573TIP3    H253518   3.320   3.304   1.659
+ 1573TIP3   OH253519   3.933   3.283   1.992
+ 1573TIP3    H153520   4.026   3.313   1.982
+ 1573TIP3    H253521   3.928   3.274   2.088
+ 1573TIP3   OH253522   3.532   3.431   1.436
+ 1573TIP3    H153523   3.593   3.377   1.382
+ 1573TIP3    H253524   3.592   3.465   1.504
+ 1573TIP3   OH253525   4.068   3.452   1.692
+ 1573TIP3    H153526   4.065   3.390   1.767
+ 1573TIP3    H253527   4.060   3.538   1.736
+ 1574TIP3   OH253528   3.461   3.330   2.961
+ 1574TIP3    H153529   3.417   3.248   2.988
+ 1574TIP3    H253530   3.554   3.308   2.973
+ 1574TIP3   OH253531   3.719   3.255   3.155
+ 1574TIP3    H153532   3.780   3.226   3.085
+ 1574TIP3    H253533   3.659   3.178   3.164
+ 1574TIP3   OH253534  -3.200  -3.411   3.983
+ 1574TIP3    H153535  -3.173  -3.324   4.015
+ 1574TIP3    H253536  -3.242  -3.389   3.898
+ 1574TIP3   OH253537  -3.279  -3.426   4.259
+ 1574TIP3    H153538  -3.279  -3.506   4.315
+ 1574TIP3    H253539  -3.274  -3.463   4.169
+ 1574TIP3   OH253540  -2.925  -3.153   4.036
+ 1574TIP3    H153541  -2.960  -3.220   4.098
+ 1574TIP3    H253542  -2.878  -3.099   4.102
+ 1574TIP3   OH253543  -3.952  -3.005   4.244
+ 1574TIP3    H153544  -3.990  -3.092   4.224
+ 1574TIP3    H253545  -3.858  -3.029   4.255
+ 1574TIP3   OH253546  -4.187  -3.570   3.683
+ 1574TIP3    H153547  -4.216  -3.513   3.757
+ 1574TIP3    H253548  -4.215  -3.656   3.713
+ 1574TIP3   OH253549  -4.198  -3.442   3.936
+ 1574TIP3    H153550  -4.195  -3.479   4.025
+ 1574TIP3    H253551  -4.118  -3.389   3.934
+ 1574TIP3   OH253552  -3.213  -2.613   4.110
+ 1574TIP3    H153553  -3.148  -2.678   4.079
+ 1574TIP3    H253554  -3.233  -2.643   4.200
+ 1574TIP3   OH253555  -3.477  -3.202   4.275
+ 1574TIP3    H153556  -3.432  -3.273   4.226
+ 1574TIP3    H253557  -3.398  -3.167   4.321
+ 1575TIP3   OH253558  -3.118  -3.724   4.321
+ 1575TIP3    H153559  -3.077  -3.809   4.344
+ 1575TIP3    H253560  -3.112  -3.722   4.224
+ 1575TIP3   OH253561  -3.811  -3.940   4.041
+ 1575TIP3    H153562  -3.789  -3.856   3.998
+ 1575TIP3    H253563  -3.839  -3.993   3.964
+ 1575TIP3   OH253564  -3.013  -3.917   3.874
+ 1575TIP3    H153565  -2.955  -3.964   3.939
+ 1575TIP3    H253566  -2.946  -3.877   3.816
+ 1575TIP3   OH253567  -4.117  -3.673   4.109
+ 1575TIP3    H153568  -4.075  -3.737   4.167
+ 1575TIP3    H253569  -4.110  -3.717   4.023
+ 1575TIP3   OH253570  -3.603  -3.531   4.056
+ 1575TIP3    H153571  -3.526  -3.584   4.082
+ 1575TIP3    H253572  -3.647  -3.591   3.992
+ 1575TIP3   OH253573  -3.172  -3.080   3.796
+ 1575TIP3    H153574  -3.200  -3.109   3.709
+ 1575TIP3    H253575  -3.219  -2.997   3.809
+ 1575TIP3   OH253576  -2.829  -4.012   4.072
+ 1575TIP3    H153577  -2.864  -4.066   4.144
+ 1575TIP3    H253578  -2.777  -3.949   4.124
+ 1575TIP3   OH253579  -3.878  -3.848   4.297
+ 1575TIP3    H153580  -3.903  -3.756   4.281
+ 1575TIP3    H253581  -3.887  -3.890   4.209
+ 1575TIP3   OH253582  -4.182  -3.118   3.628
+ 1575TIP3    H153583  -4.265  -3.102   3.578
+ 1575TIP3    H253584  -4.191  -3.058   3.704
+ 1575TIP3   OH253585  -2.823  -3.058   4.264
+ 1575TIP3    H153586  -2.890  -3.058   4.335
+ 1575TIP3    H253587  -2.756  -2.999   4.300
+ 1576TIP3   OH253588  -3.518   4.379   4.169
+ 1576TIP3    H153589  -3.507   4.287   4.194
+ 1576TIP3    H253590  -3.589   4.410   4.228
+ 1576TIP3   OH253591  -3.024  -2.777   3.965
+ 1576TIP3    H153592  -2.973  -2.855   3.934
+ 1576TIP3    H253593  -2.958  -2.707   3.951
+ 1576TIP3   OH253594  -2.873  -2.987   3.824
+ 1576TIP3    H153595  -2.918  -3.034   3.752
+ 1576TIP3    H253596  -2.884  -3.052   3.897
+ 1576TIP3   OH253597  -3.299  -3.406   3.639
+ 1576TIP3    H153598  -3.365  -3.358   3.586
+ 1576TIP3    H253599  -3.224  -3.410   3.577
+ 1576TIP3   OH253600  -3.267  -3.594   3.348
+ 1576TIP3    H153601  -3.196  -3.564   3.407
+ 1576TIP3    H253602  -3.218  -3.654   3.289
+ 1576TIP3   OH253603  -2.945  -3.416   3.749
+ 1576TIP3    H153604  -3.005  -3.389   3.820
+ 1576TIP3    H253605  -2.882  -3.471   3.798
+ 1576TIP3   OH253606  -3.776  -3.332   3.921
+ 1576TIP3    H153607  -3.818  -3.378   3.846
+ 1576TIP3    H253608  -3.723  -3.402   3.962
+ 1576TIP3   OH253609  -3.674  -3.010   4.154
+ 1576TIP3    H153610  -3.663  -3.059   4.073
+ 1576TIP3    H253611  -3.598  -3.038   4.206
+ 1576TIP3   OH253612  -3.766  -3.450   4.270
+ 1576TIP3    H153613  -3.698  -3.467   4.202
+ 1576TIP3    H253614  -3.712  -3.429   4.348
+ 1576TIP3   OH253615  -3.051  -3.468   3.495
+ 1576TIP3    H153616  -3.001  -3.443   3.576
+ 1576TIP3    H253617  -3.000  -3.419   3.426
+ 1577TIP3   OH253618  -3.304  -2.800   3.830
+ 1577TIP3    H153619  -3.253  -2.795   3.913
+ 1577TIP3    H253620  -3.369  -2.729   3.841
+ 1577TIP3   OH253621  -2.730  -4.321   3.415
+ 1577TIP3    H153622  -2.773  -4.324   3.502
+ 1577TIP3    H253623  -2.651  -4.270   3.438
+ 1577TIP3   OH253624  -3.893  -3.464   3.678
+ 1577TIP3    H153625  -3.919  -3.388   3.624
+ 1577TIP3    H253626  -3.968  -3.524   3.664
+ 1577TIP3   OH253627  -2.565  -2.882   3.295
+ 1577TIP3    H153628  -2.548  -2.788   3.319
+ 1577TIP3    H253629  -2.479  -2.923   3.317
+ 1577TIP3   OH253630  -4.286  -2.899   4.214
+ 1577TIP3    H153631  -4.210  -2.950   4.245
+ 1577TIP3    H253632  -4.308  -2.852   4.295
+ 1577TIP3   OH253633  -3.373  -2.514   3.630
+ 1577TIP3    H153634  -3.282  -2.526   3.599
+ 1577TIP3    H253635  -3.356  -2.463   3.711
+ 1577TIP3   OH253636  -3.974  -2.628   3.861
+ 1577TIP3    H153637  -3.950  -2.668   3.948
+ 1577TIP3    H253638  -4.055  -2.678   3.842
+ 1577TIP3   OH253639  -3.060  -2.617   3.419
+ 1577TIP3    H153640  -3.002  -2.668   3.359
+ 1577TIP3    H253641  -3.029  -2.650   3.504
+ 1577TIP3   OH253642  -3.127  -2.611   3.734
+ 1577TIP3    H153643  -3.206  -2.667   3.736
+ 1577TIP3    H253644  -3.061  -2.678   3.759
+ 1577TIP3   OH253645  -3.773  -4.211   4.298
+ 1577TIP3    H153646  -3.844  -4.212   4.232
+ 1577TIP3    H253647  -3.749  -4.117   4.306
+ 1578TIP3   OH253648  -2.895  -3.362   3.296
+ 1578TIP3    H153649  -2.914  -3.379   3.201
+ 1578TIP3    H253650  -2.801  -3.337   3.290
+ 1578TIP3   OH253651  -3.329  -3.993   3.341
+ 1578TIP3    H153652  -3.382  -4.005   3.422
+ 1578TIP3    H253653  -3.378  -4.053   3.281
+ 1578TIP3   OH253654  -3.767  -3.706   3.884
+ 1578TIP3    H153655  -3.862  -3.712   3.866
+ 1578TIP3    H253656  -3.731  -3.727   3.795
+ 1578TIP3   OH253657  -3.204  -3.647   3.761
+ 1578TIP3    H153658  -3.247  -3.567   3.726
+ 1578TIP3    H253659  -3.138  -3.666   3.693
+ 1578TIP3   OH253660  -3.126  -3.712   4.044
+ 1578TIP3    H153661  -3.156  -3.652   3.974
+ 1578TIP3    H253662  -3.104  -3.791   3.991
+ 1578TIP3   OH253663  -3.691  -3.937   3.238
+ 1578TIP3    H153664  -3.724  -3.979   3.319
+ 1578TIP3    H253665  -3.769  -3.928   3.183
+ 1578TIP3   OH253666  -4.323  -3.942   3.933
+ 1578TIP3    H153667  -4.301  -3.961   4.026
+ 1578TIP3    H253668  -4.285  -4.018   3.887
+ 1578TIP3   OH253669  -4.214  -3.881   3.533
+ 1578TIP3    H153670  -4.152  -3.864   3.459
+ 1578TIP3    H253671  -4.298  -3.859   3.492
+ 1578TIP3   OH253672  -3.497  -3.940   3.983
+ 1578TIP3    H153673  -3.589  -3.960   4.005
+ 1578TIP3    H253674  -3.450  -3.974   4.060
+ 1578TIP3   OH253675  -4.037  -3.822   3.847
+ 1578TIP3    H153676  -4.122  -3.821   3.803
+ 1578TIP3    H253677  -3.999  -3.906   3.814
+ 1579TIP3   OH253678  -3.672  -3.790   3.623
+ 1579TIP3    H153679  -3.575  -3.787   3.627
+ 1579TIP3    H253680  -3.694  -3.731   3.550
+ 1579TIP3   OH253681  -3.055  -4.072   4.270
+ 1579TIP3    H153682  -3.088  -4.047   4.358
+ 1579TIP3    H253683  -3.137  -4.076   4.218
+ 1579TIP3   OH253684  -3.825  -3.666   3.397
+ 1579TIP3    H153685  -3.883  -3.699   3.326
+ 1579TIP3    H253686  -3.743  -3.650   3.347
+ 1579TIP3   OH253687  -3.403  -3.707   4.193
+ 1579TIP3    H153688  -3.331  -3.737   4.135
+ 1579TIP3    H253689  -3.398  -3.773   4.264
+ 1579TIP3   OH253690  -3.879  -4.060   3.791
+ 1579TIP3    H153691  -3.920  -4.147   3.805
+ 1579TIP3    H253692  -3.793  -4.084   3.754
+ 1579TIP3   OH253693  -3.492  -3.191   3.576
+ 1579TIP3    H153694  -3.559  -3.254   3.542
+ 1579TIP3    H253695  -3.497  -3.205   3.673
+ 1579TIP3   OH253696  -3.061  -3.930   3.343
+ 1579TIP3    H153697  -3.159  -3.939   3.347
+ 1579TIP3    H253698  -3.043  -3.863   3.411
+ 1579TIP3   OH253699  -2.996  -3.748   3.559
+ 1579TIP3    H153700  -2.910  -3.764   3.603
+ 1579TIP3    H253701  -2.983  -3.661   3.519
+ 1579TIP3   OH253702  -3.968  -3.309   4.153
+ 1579TIP3    H153703  -3.902  -3.291   4.084
+ 1579TIP3    H253704  -3.918  -3.371   4.210
+ 1579TIP3   OH253705  -3.249  -3.054   3.471
+ 1579TIP3    H153706  -3.272  -2.975   3.522
+ 1579TIP3    H253707  -3.315  -3.118   3.501
+ 1580TIP3   OH253708  -2.534  -3.745   3.539
+ 1580TIP3    H153709  -2.590  -3.766   3.461
+ 1580TIP3    H253710  -2.522  -3.649   3.525
+ 1580TIP3   OH253711  -2.732  -2.905   3.529
+ 1580TIP3    H153712  -2.729  -2.966   3.604
+ 1580TIP3    H253713  -2.651  -2.924   3.480
+ 1580TIP3   OH253714  -3.015  -3.328   4.241
+ 1580TIP3    H153715  -3.094  -3.372   4.277
+ 1580TIP3    H253716  -2.965  -3.404   4.206
+ 1580TIP3   OH253717  -3.724  -2.937   3.866
+ 1580TIP3    H153718  -3.687  -2.847   3.866
+ 1580TIP3    H253719  -3.819  -2.920   3.868
+ 1580TIP3   OH253720  -4.153  -3.445   3.356
+ 1580TIP3    H153721  -4.082  -3.394   3.399
+ 1580TIP3    H253722  -4.229  -3.390   3.379
+ 1580TIP3   OH253723  -3.543  -3.167   3.866
+ 1580TIP3    H153724  -3.586  -3.079   3.864
+ 1580TIP3    H253725  -3.617  -3.224   3.893
+ 1580TIP3   OH253726  -3.676  -2.661   3.786
+ 1580TIP3    H153727  -3.772  -2.648   3.786
+ 1580TIP3    H253728  -3.645  -2.572   3.813
+ 1580TIP3   OH253729  -2.972  -3.038   3.335
+ 1580TIP3    H153730  -2.924  -3.078   3.409
+ 1580TIP3    H253731  -3.063  -3.052   3.366
+ 1580TIP3   OH253732  -2.491  -2.618   3.379
+ 1580TIP3    H153733  -2.421  -2.551   3.367
+ 1580TIP3    H253734  -2.568  -2.560   3.389
+ 1580TIP3   OH253735  -2.876  -3.182   3.577
+ 1580TIP3    H153736  -2.895  -3.257   3.636
+ 1580TIP3    H253737  -2.779  -3.179   3.579
+ 1581TIP3   OH253738  -3.542  -2.931   3.196
+ 1581TIP3    H153739  -3.510  -3.005   3.142
+ 1581TIP3    H253740  -3.583  -2.979   3.270
+ 1581TIP3   OH253741  -3.653  -2.947   3.478
+ 1581TIP3    H153742  -3.619  -3.026   3.523
+ 1581TIP3    H253743  -3.635  -2.878   3.543
+ 1581TIP3   OH253744  -3.986  -3.243   3.499
+ 1581TIP3    H153745  -4.057  -3.205   3.556
+ 1581TIP3    H253746  -3.940  -3.161   3.476
+ 1581TIP3   OH253747  -3.136  -4.057   3.631
+ 1581TIP3    H153748  -3.128  -3.997   3.555
+ 1581TIP3    H253749  -3.099  -4.003   3.703
+ 1581TIP3   OH253750  -3.404  -3.848   3.731
+ 1581TIP3    H153751  -3.327  -3.790   3.747
+ 1581TIP3    H253752  -3.434  -3.869   3.822
+ 1581TIP3   OH253753  -3.341  -4.172   3.824
+ 1581TIP3    H153754  -3.360  -4.100   3.886
+ 1581TIP3    H253755  -3.275  -4.131   3.765
+ 1581TIP3   OH253756  -3.776  -4.051   3.483
+ 1581TIP3    H153757  -3.770  -3.968   3.533
+ 1581TIP3    H253758  -3.689  -4.089   3.504
+ 1581TIP3   OH253759  -2.895  -3.570   4.141
+ 1581TIP3    H153760  -2.974  -3.618   4.109
+ 1581TIP3    H253761  -2.840  -3.646   4.172
+ 1581TIP3   OH253762  -3.923  -2.959   3.383
+ 1581TIP3    H153763  -3.842  -2.923   3.422
+ 1581TIP3    H253764  -3.886  -3.016   3.314
+ 1581TIP3   OH253765  -4.115  -3.747   3.299
+ 1581TIP3    H153766  -4.108  -3.652   3.317
+ 1581TIP3    H253767  -4.192  -3.755   3.241
+ 1582TIP3   OH253768  -2.794  -2.615   4.366
+ 1582TIP3    H153769  -2.814  -2.547   4.299
+ 1582TIP3    H253770  -2.702  -2.630   4.341
+ 1582TIP3   OH253771  -4.087  -4.238   4.182
+ 1582TIP3    H153772  -4.064  -4.248   4.089
+ 1582TIP3    H253773  -4.086  -4.331   4.212
+ 1582TIP3   OH253774  -4.135  -2.879   3.797
+ 1582TIP3    H153775  -4.227  -2.849   3.807
+ 1582TIP3    H253776  -4.109  -2.838   3.714
+ 1582TIP3   OH253777  -3.345  -2.743   3.266
+ 1582TIP3    H153778  -3.399  -2.821   3.243
+ 1582TIP3    H253779  -3.256  -2.777   3.246
+ 1582TIP3   OH253780  -2.869  -2.767   3.260
+ 1582TIP3    H153781  -2.849  -2.841   3.320
+ 1582TIP3    H253782  -2.788  -2.762   3.208
+ 1582TIP3   OH253783  -3.777  -3.185   3.234
+ 1582TIP3    H153784  -3.763  -3.253   3.302
+ 1582TIP3    H253785  -3.695  -3.195   3.181
+ 1582TIP3   OH253786  -3.262  -3.059   3.189
+ 1582TIP3    H153787  -3.258  -3.062   3.286
+ 1582TIP3    H253788  -3.260  -3.155   3.168
+ 1582TIP3   OH253789  -3.671  -3.384   3.462
+ 1582TIP3    H153790  -3.734  -3.435   3.517
+ 1582TIP3    H253791  -3.642  -3.453   3.398
+ 1582TIP3   OH253792  -3.576  -3.581   3.287
+ 1582TIP3    H153793  -3.579  -3.576   3.190
+ 1582TIP3    H253794  -3.480  -3.589   3.302
+ 1582TIP3   OH253795  -2.626  -3.331   3.220
+ 1582TIP3    H153796  -2.635  -3.373   3.132
+ 1582TIP3    H253797  -2.634  -3.237   3.195
+ 1583TIP3   OH253798  -4.196  -2.970   3.303
+ 1583TIP3    H153799  -4.126  -2.979   3.370
+ 1583TIP3    H253800  -4.221  -3.062   3.285
+ 1583TIP3   OH253801  -4.271  -2.692   4.018
+ 1583TIP3    H153802  -4.275  -2.783   4.055
+ 1583TIP3    H253803  -4.246  -2.645   4.099
+ 1583TIP3   OH253804  -2.518  -2.550   4.290
+ 1583TIP3    H153805  -2.505  -2.588   4.379
+ 1583TIP3    H253806  -2.427  -2.552   4.259
+ 1583TIP3   OH253807  -2.587  -3.193   3.615
+ 1583TIP3    H153808  -2.496  -3.161   3.629
+ 1583TIP3    H253809  -2.592  -3.258   3.688
+ 1583TIP3   OH253810  -2.539  -3.397   3.813
+ 1583TIP3    H153811  -2.605  -3.455   3.856
+ 1583TIP3    H253812  -2.469  -3.389   3.881
+ 1583TIP3   OH253813  -2.564  -3.191   4.355
+ 1583TIP3    H153814  -2.501  -3.228   4.292
+ 1583TIP3    H253815  -2.566  -3.096   4.332
+ 1583TIP3   OH253816  -2.516  -3.455   3.469
+ 1583TIP3    H153817  -2.566  -3.425   3.391
+ 1583TIP3    H253818  -2.526  -3.379   3.529
+ 1583TIP3   OH253819  -2.690  -3.697   3.294
+ 1583TIP3    H153820  -2.660  -3.638   3.223
+ 1583TIP3    H253821  -2.712  -3.779   3.245
+ 1583TIP3   OH253822  -2.752  -3.583   3.892
+ 1583TIP3    H153823  -2.754  -3.678   3.875
+ 1583TIP3    H253824  -2.785  -3.578   3.984
+ 1583TIP3   OH253825  -4.217  -3.301   4.316
+ 1583TIP3    H153826  -4.268  -3.330   4.238
+ 1583TIP3    H253827  -4.145  -3.365   4.318
+ 1584TIP3   OH253828  -2.746  -3.968   3.212
+ 1584TIP3    H153829  -2.685  -4.012   3.274
+ 1584TIP3    H253830  -2.827  -4.019   3.221
+ 1584TIP3   OH253831  -2.763  -3.827   3.711
+ 1584TIP3    H153832  -2.747  -3.924   3.718
+ 1584TIP3    H253833  -2.681  -3.798   3.669
+ 1584TIP3   OH253834  -2.741  -3.775   4.218
+ 1584TIP3    H153835  -2.645  -3.774   4.233
+ 1584TIP3    H253836  -2.775  -3.783   4.309
+ 1584TIP3   OH253837  -2.733  -4.099   3.720
+ 1584TIP3    H153838  -2.710  -4.149   3.799
+ 1584TIP3    H253839  -2.795  -4.160   3.676
+ 1584TIP3   OH253840  -4.169  -3.973   4.191
+ 1584TIP3    H153841  -4.164  -4.070   4.200
+ 1584TIP3    H253842  -4.113  -3.947   4.265
+ 1584TIP3   OH253843  -4.343  -3.712   4.318
+ 1584TIP3    H153844  -4.309  -3.759   4.240
+ 1584TIP3    H253845  -4.299  -3.627   4.310
+ 1584TIP3   OH253846  -2.520  -4.056   3.378
+ 1584TIP3    H153847  -2.502  -4.142   3.336
+ 1584TIP3    H253848  -2.433  -4.015   3.383
+ 1584TIP3   OH253849  -4.314  -4.107   3.654
+ 1584TIP3    H153850  -4.397  -4.078   3.616
+ 1584TIP3    H253851  -4.253  -4.037   3.620
+ 1584TIP3   OH253852  -2.812  -2.573   3.911
+ 1584TIP3    H153853  -2.744  -2.637   3.890
+ 1584TIP3    H253854  -2.770  -2.525   3.986
+ 1584TIP3   OH253855  -4.152  -2.643   4.266
+ 1584TIP3    H153856  -4.132  -2.660   4.360
+ 1584TIP3    H253857  -4.067  -2.666   4.226
+ 1585TIP3   OH253858  -3.909  -2.750   4.116
+ 1585TIP3    H153859  -3.926  -2.841   4.146
+ 1585TIP3    H253860  -3.820  -2.734   4.152
+ 1585TIP3   OH253861  -3.626  -2.702   4.212
+ 1585TIP3    H153862  -3.611  -2.792   4.180
+ 1585TIP3    H253863  -3.630  -2.718   4.307
+ 1585TIP3   OH253864  -3.302  -4.109   4.127
+ 1585TIP3    H153865  -3.364  -4.181   4.152
+ 1585TIP3    H253866  -3.235  -4.159   4.077
+ 1585TIP3   OH253867  -2.770  -4.349   4.151
+ 1585TIP3    H153868  -2.715  -4.281   4.110
+ 1585TIP3    H253869  -2.857  -4.309   4.160
+ 1585TIP3   OH253870  -2.577  -4.221   3.956
+ 1585TIP3    H153871  -2.519  -4.244   3.883
+ 1585TIP3    H253872  -2.556  -4.127   3.970
+ 1585TIP3   OH253873  -4.076  -4.280   3.872
+ 1585TIP3    H153874  -4.159  -4.316   3.837
+ 1585TIP3    H253875  -4.023  -4.360   3.886
+ 1585TIP3   OH253876  -4.205  -4.301   3.475
+ 1585TIP3    H153877  -4.172  -4.238   3.409
+ 1585TIP3    H253878  -4.257  -4.242   3.533
+ 1585TIP3   OH253879  -3.617  -4.230   3.891
+ 1585TIP3    H153880  -3.523  -4.232   3.867
+ 1585TIP3    H253881  -3.620  -4.290   3.967
+ 1585TIP3   OH253882  -3.085  -4.269   4.012
+ 1585TIP3    H153883  -3.019  -4.271   3.941
+ 1585TIP3    H253884  -3.060  -4.346   4.067
+ 1585TIP3   OH253885  -2.949  -4.272   3.620
+ 1585TIP3    H153886  -3.025  -4.214   3.603
+ 1585TIP3    H253887  -2.989  -4.360   3.624
+ 1586TIP3   OH253888  -4.182  -2.692   3.567
+ 1586TIP3    H153889  -4.253  -2.711   3.505
+ 1586TIP3    H253890  -4.186  -2.595   3.572
+ 1586TIP3   OH253891  -4.009  -4.112   3.332
+ 1586TIP3    H153892  -3.947  -4.157   3.273
+ 1586TIP3    H253893  -3.947  -4.071   3.395
+ 1586TIP3   OH253894  -3.492  -4.059   3.561
+ 1586TIP3    H153895  -3.481  -4.143   3.609
+ 1586TIP3    H253896  -3.471  -3.992   3.629
+ 1586TIP3   OH253897  -2.602  -2.606   3.652
+ 1586TIP3    H153898  -2.654  -2.683   3.623
+ 1586TIP3    H253899  -2.629  -2.541   3.586
+ 1586TIP3   OH253900  -4.006  -2.590   3.271
+ 1586TIP3    H153901  -4.048  -2.573   3.357
+ 1586TIP3    H253902  -3.951  -2.667   3.291
+ 1586TIP3   OH253903  -1.280  -3.365   3.928
+ 1586TIP3    H153904  -1.283  -3.268   3.925
+ 1586TIP3    H253905  -1.346  -3.389   3.861
+ 1586TIP3   OH253906  -1.390  -3.425   4.249
+ 1586TIP3    H153907  -1.388  -3.505   4.305
+ 1586TIP3    H253908  -1.396  -3.464   4.160
+ 1586TIP3   OH253909  -0.961  -3.164   4.025
+ 1586TIP3    H153910  -1.013  -3.233   4.069
+ 1586TIP3    H253911  -0.947  -3.104   4.101
+ 1586TIP3   OH253912  -2.076  -3.014   4.261
+ 1586TIP3    H153913  -2.098  -3.103   4.231
+ 1586TIP3    H253914  -1.979  -3.018   4.254
+ 1586TIP3   OH253915  -2.378  -3.663   3.778
+ 1586TIP3    H153916  -2.414  -3.573   3.789
+ 1586TIP3    H253917  -2.452  -3.708   3.736
+ 1587TIP3   OH253918  -2.303  -3.424   3.969
+ 1587TIP3    H153919  -2.280  -3.497   4.030
+ 1587TIP3    H253920  -2.217  -3.405   3.930
+ 1587TIP3   OH253921  -1.318  -2.608   4.113
+ 1587TIP3    H153922  -1.258  -2.679   4.084
+ 1587TIP3    H253923  -1.353  -2.640   4.197
+ 1587TIP3   OH253924  -1.595  -3.226   4.326
+ 1587TIP3    H153925  -1.537  -3.262   4.257
+ 1587TIP3    H253926  -1.616  -3.304   4.377
+ 1587TIP3   OH253927  -1.234  -3.728   4.317
+ 1587TIP3    H153928  -1.189  -3.812   4.340
+ 1587TIP3    H253929  -1.222  -3.725   4.220
+ 1587TIP3   OH253930  -1.928  -3.941   4.042
+ 1587TIP3    H153931  -1.904  -3.857   4.000
+ 1587TIP3    H253932  -1.959  -3.990   3.963
+ 1587TIP3   OH253933  -2.225  -3.675   4.101
+ 1587TIP3    H153934  -2.178  -3.738   4.155
+ 1587TIP3    H253935  -2.221  -3.718   4.013
+ 1587TIP3   OH253936  -1.715  -3.531   4.057
+ 1587TIP3    H153937  -1.637  -3.586   4.080
+ 1587TIP3    H253938  -1.759  -3.589   3.992
+ 1587TIP3   OH253939  -1.280  -3.080   3.793
+ 1587TIP3    H153940  -1.318  -3.107   3.709
+ 1587TIP3    H253941  -1.328  -2.997   3.811
+ 1587TIP3   OH253942  -0.926  -4.015   4.061
+ 1587TIP3    H153943  -0.993  -4.063   4.111
+ 1587TIP3    H253944  -0.903  -3.945   4.124
+ 1587TIP3   OH253945  -2.002  -3.849   4.298
+ 1587TIP3    H153946  -2.009  -3.755   4.280
+ 1587TIP3    H253947  -2.001  -3.889   4.209
+ 1588TIP3   OH253948  -2.313  -3.112   3.627
+ 1588TIP3    H153949  -2.328  -3.060   3.546
+ 1588TIP3    H253950  -2.294  -3.042   3.694
+ 1588TIP3   OH253951  -0.938  -3.037   4.262
+ 1588TIP3    H153952  -1.015  -3.051   4.321
+ 1588TIP3    H253953  -0.891  -2.967   4.307
+ 1588TIP3   OH253954  -1.639  -4.317   4.153
+ 1588TIP3    H153955  -1.599  -4.398   4.190
+ 1588TIP3    H253956  -1.688  -4.280   4.228
+ 1588TIP3   OH253957  -1.130  -2.775   3.969
+ 1588TIP3    H153958  -1.085  -2.852   3.930
+ 1588TIP3    H253959  -1.070  -2.703   3.945
+ 1588TIP3   OH253960  -0.988  -2.984   3.817
+ 1588TIP3    H153961  -1.047  -3.032   3.756
+ 1588TIP3    H253962  -0.978  -3.050   3.889
+ 1588TIP3   OH253963  -1.412  -3.411   3.641
+ 1588TIP3    H153964  -1.476  -3.352   3.598
+ 1588TIP3    H253965  -1.338  -3.412   3.578
+ 1588TIP3   OH253966  -1.383  -3.589   3.341
+ 1588TIP3    H153967  -1.318  -3.564   3.409
+ 1588TIP3    H253968  -1.334  -3.659   3.295
+ 1588TIP3   OH253969  -1.058  -3.410   3.750
+ 1588TIP3    H153970  -1.129  -3.395   3.816
+ 1588TIP3    H253971  -1.005  -3.477   3.797
+ 1588TIP3   OH253972  -1.901  -3.335   3.925
+ 1588TIP3    H153973  -1.933  -3.381   3.845
+ 1588TIP3    H253974  -1.839  -3.400   3.964
+ 1588TIP3   OH253975  -1.784  -3.074   4.166
+ 1588TIP3    H153976  -1.773  -3.058   4.072
+ 1588TIP3    H253977  -1.717  -3.015   4.204
+ 1589TIP3   OH253978  -1.887  -3.469   4.270
+ 1589TIP3    H153979  -1.816  -3.466   4.202
+ 1589TIP3    H253980  -1.856  -3.405   4.336
+ 1589TIP3   OH253981  -1.167  -3.462   3.493
+ 1589TIP3    H153982  -1.118  -3.443   3.576
+ 1589TIP3    H253983  -1.114  -3.411   3.427
+ 1589TIP3   OH253984  -1.412  -2.808   3.850
+ 1589TIP3    H153985  -1.375  -2.777   3.933
+ 1589TIP3    H253986  -1.469  -2.734   3.823
+ 1589TIP3   OH253987  -0.842  -4.321   3.412
+ 1589TIP3    H153988  -0.901  -4.322   3.489
+ 1589TIP3    H253989  -0.767  -4.274   3.451
+ 1589TIP3   OH253990  -2.007  -3.463   3.681
+ 1589TIP3    H153991  -2.026  -3.387   3.624
+ 1589TIP3    H253992  -2.072  -3.527   3.652
+ 1589TIP3   OH253993  -0.681  -2.883   3.298
+ 1589TIP3    H153994  -0.666  -2.789   3.321
+ 1589TIP3    H253995  -0.594  -2.922   3.319
+ 1589TIP3   OH253996  -1.460  -2.537   3.699
+ 1589TIP3    H153997  -1.464  -2.527   3.603
+ 1589TIP3    H253998  -1.459  -2.445   3.731
+ 1589TIP3   OH253999  -2.067  -2.660   3.812
+ 1589TIP3    H154000  -2.064  -2.646   3.909
+ 1589TIP3    H254001  -2.162  -2.658   3.797
+ 1589TIP3   OH254002  -1.134  -2.596   3.418
+ 1589TIP3    H154003  -1.076  -2.661   3.374
+ 1589TIP3    H254004  -1.140  -2.633   3.508
+ 1589TIP3   OH254005  -1.195  -2.653   3.698
+ 1589TIP3    H154006  -1.290  -2.638   3.712
+ 1589TIP3    H254007  -1.181  -2.727   3.759
+ 1590TIP3   OH254008  -1.889  -4.209   4.306
+ 1590TIP3    H154009  -1.948  -4.220   4.231
+ 1590TIP3    H254010  -1.864  -4.115   4.304
+ 1590TIP3   OH254011  -1.008  -3.362   3.291
+ 1590TIP3    H154012  -1.027  -3.384   3.198
+ 1590TIP3    H254013  -0.914  -3.338   3.287
+ 1590TIP3   OH254014  -1.452  -3.993   3.340
+ 1590TIP3    H154015  -1.503  -4.000   3.422
+ 1590TIP3    H254016  -1.500  -4.057   3.283
+ 1590TIP3   OH254017  -1.881  -3.705   3.887
+ 1590TIP3    H154018  -1.976  -3.713   3.867
+ 1590TIP3    H254019  -1.843  -3.725   3.799
+ 1590TIP3   OH254020  -1.301  -3.634   3.776
+ 1590TIP3    H154021  -1.360  -3.573   3.727
+ 1590TIP3    H254022  -1.252  -3.678   3.704
+ 1590TIP3   OH254023  -1.228  -3.729   4.032
+ 1590TIP3    H154024  -1.257  -3.677   3.953
+ 1590TIP3    H254025  -1.220  -3.816   3.987
+ 1590TIP3   OH254026  -1.805  -3.943   3.235
+ 1590TIP3    H154027  -1.838  -3.978   3.320
+ 1590TIP3    H254028  -1.886  -3.931   3.184
+ 1590TIP3   OH254029  -2.458  -3.956   3.944
+ 1590TIP3    H154030  -2.402  -3.956   4.023
+ 1590TIP3    H254031  -2.401  -3.994   3.876
+ 1590TIP3   OH254032  -2.301  -3.912   3.513
+ 1590TIP3    H154033  -2.246  -3.861   3.450
+ 1590TIP3    H254034  -2.371  -3.846   3.532
+ 1590TIP3   OH254035  -1.628  -3.950   3.985
+ 1590TIP3    H154036  -1.717  -3.962   4.022
+ 1590TIP3    H254037  -1.570  -3.976   4.057
+ 1591TIP3   OH254038  -2.150  -3.827   3.854
+ 1591TIP3    H154039  -2.230  -3.796   3.807
+ 1591TIP3    H254040  -2.122  -3.906   3.803
+ 1591TIP3   OH254041  -1.800  -3.794   3.617
+ 1591TIP3    H154042  -1.703  -3.789   3.633
+ 1591TIP3    H254043  -1.815  -3.728   3.548
+ 1591TIP3   OH254044  -1.184  -4.072   4.270
+ 1591TIP3    H154045  -1.241  -4.046   4.344
+ 1591TIP3    H254046  -1.243  -4.080   4.194
+ 1591TIP3   OH254047  -1.944  -3.665   3.393
+ 1591TIP3    H154048  -1.998  -3.695   3.319
+ 1591TIP3    H254049  -1.860  -3.645   3.348
+ 1591TIP3   OH254050  -1.510  -3.709   4.184
+ 1591TIP3    H154051  -1.442  -3.743   4.123
+ 1591TIP3    H254052  -1.503  -3.771   4.258
+ 1591TIP3   OH254053  -1.988  -4.066   3.793
+ 1591TIP3    H154054  -2.032  -4.153   3.801
+ 1591TIP3    H254055  -1.905  -4.088   3.748
+ 1591TIP3   OH254056  -1.595  -3.206   3.581
+ 1591TIP3    H154057  -1.670  -3.259   3.546
+ 1591TIP3    H254058  -1.611  -3.206   3.678
+ 1591TIP3   OH254059  -1.178  -3.951   3.367
+ 1591TIP3    H154060  -1.275  -3.959   3.376
+ 1591TIP3    H254061  -1.157  -3.894   3.444
+ 1591TIP3   OH254062  -1.109  -3.745   3.554
+ 1591TIP3    H154063  -1.033  -3.763   3.612
+ 1591TIP3    H254064  -1.087  -3.659   3.514
+ 1591TIP3   OH254065  -2.097  -3.306   4.170
+ 1591TIP3    H154066  -2.033  -3.286   4.100
+ 1591TIP3    H254067  -2.045  -3.370   4.222
+ 1592TIP3   OH254068  -1.353  -3.072   3.472
+ 1592TIP3    H154069  -1.378  -2.987   3.512
+ 1592TIP3    H254070  -1.426  -3.129   3.501
+ 1592TIP3   OH254071  -0.644  -3.749   3.537
+ 1592TIP3    H154072  -0.708  -3.767   3.466
+ 1592TIP3    H254073  -0.637  -3.652   3.528
+ 1592TIP3   OH254074  -0.829  -2.882   3.547
+ 1592TIP3    H154075  -0.854  -2.959   3.601
+ 1592TIP3    H254076  -0.775  -2.921   3.477
+ 1592TIP3   OH254077  -1.107  -3.342   4.254
+ 1592TIP3    H154078  -1.202  -3.358   4.265
+ 1592TIP3    H254079  -1.079  -3.419   4.200
+ 1592TIP3   OH254080  -1.838  -2.949   3.863
+ 1592TIP3    H154081  -1.798  -2.862   3.882
+ 1592TIP3    H254082  -1.931  -2.927   3.871
+ 1592TIP3   OH254083  -2.242  -3.462   3.351
+ 1592TIP3    H154084  -2.183  -3.396   3.390
+ 1592TIP3    H254085  -2.329  -3.433   3.384
+ 1592TIP3   OH254086  -1.658  -3.172   3.858
+ 1592TIP3    H154087  -1.694  -3.081   3.858
+ 1592TIP3    H254088  -1.732  -3.221   3.896
+ 1592TIP3   OH254089  -1.788  -2.648   3.808
+ 1592TIP3    H154090  -1.886  -2.649   3.811
+ 1592TIP3    H254091  -1.767  -2.559   3.839
+ 1592TIP3   OH254092  -1.083  -3.042   3.336
+ 1592TIP3    H154093  -1.042  -3.088   3.411
+ 1592TIP3    H254094  -1.176  -3.054   3.360
+ 1592TIP3   OH254095  -0.609  -2.616   3.389
+ 1592TIP3    H154096  -0.540  -2.552   3.367
+ 1592TIP3    H254097  -0.686  -2.556   3.390
+ 1593TIP3   OH254098  -0.986  -3.181   3.572
+ 1593TIP3    H154099  -1.016  -3.251   3.633
+ 1593TIP3    H254100  -0.890  -3.183   3.586
+ 1593TIP3   OH254101  -1.659  -2.937   3.193
+ 1593TIP3    H154102  -1.630  -3.017   3.146
+ 1593TIP3    H254103  -1.701  -2.975   3.272
+ 1593TIP3   OH254104  -1.774  -2.984   3.463
+ 1593TIP3    H154105  -1.726  -3.037   3.528
+ 1593TIP3    H254106  -1.762  -2.894   3.497
+ 1593TIP3   OH254107  -2.092  -3.241   3.503
+ 1593TIP3    H154108  -2.164  -3.202   3.557
+ 1593TIP3    H254109  -2.043  -3.161   3.478
+ 1593TIP3   OH254110  -1.479  -2.822   3.528
+ 1593TIP3    H154111  -1.561  -2.775   3.547
+ 1593TIP3    H254112  -1.446  -2.774   3.451
+ 1593TIP3   OH254113  -1.540  -3.832   3.728
+ 1593TIP3    H154114  -1.443  -3.824   3.732
+ 1593TIP3    H254115  -1.553  -3.874   3.816
+ 1593TIP3   OH254116  -1.759  -2.715   3.527
+ 1593TIP3    H154117  -1.766  -2.632   3.476
+ 1593TIP3    H254118  -1.776  -2.684   3.618
+ 1593TIP3   OH254119  -1.885  -4.053   3.483
+ 1593TIP3    H154120  -1.885  -3.969   3.533
+ 1593TIP3    H254121  -1.795  -4.085   3.506
+ 1593TIP3   OH254122  -1.010  -3.573   4.137
+ 1593TIP3    H154123  -1.086  -3.622   4.100
+ 1593TIP3    H254124  -0.954  -3.647   4.170
+ 1593TIP3   OH254125  -2.048  -2.960   3.379
+ 1593TIP3    H154126  -1.977  -2.910   3.422
+ 1593TIP3    H254127  -1.996  -3.010   3.315
+ 1594TIP3   OH254128  -2.233  -3.745   3.291
+ 1594TIP3    H154129  -2.219  -3.652   3.315
+ 1594TIP3    H254130  -2.321  -3.742   3.251
+ 1594TIP3   OH254131  -0.800  -2.476   4.358
+ 1594TIP3    H154132  -0.861  -2.439   4.291
+ 1594TIP3    H254133  -0.771  -2.555   4.312
+ 1594TIP3   OH254134  -2.218  -4.244   4.179
+ 1594TIP3    H154135  -2.188  -4.241   4.087
+ 1594TIP3    H254136  -2.184  -4.332   4.205
+ 1594TIP3   OH254137  -2.265  -2.897   3.799
+ 1594TIP3    H154138  -2.334  -2.831   3.814
+ 1594TIP3    H254139  -2.199  -2.845   3.751
+ 1594TIP3   OH254140  -1.437  -2.766   3.243
+ 1594TIP3    H154141  -1.513  -2.827   3.235
+ 1594TIP3    H254142  -1.367  -2.822   3.207
+ 1594TIP3   OH254143  -0.975  -2.775   3.255
+ 1594TIP3    H154144  -0.959  -2.856   3.306
+ 1594TIP3    H254145  -0.895  -2.771   3.198
+ 1594TIP3   OH254146  -1.895  -3.194   3.227
+ 1594TIP3    H154147  -1.878  -3.252   3.303
+ 1594TIP3    H254148  -1.808  -3.197   3.183
+ 1594TIP3   OH254149  -1.370  -3.060   3.188
+ 1594TIP3    H154150  -1.375  -3.064   3.286
+ 1594TIP3    H254151  -1.377  -3.156   3.167
+ 1594TIP3   OH254152  -1.786  -3.384   3.461
+ 1594TIP3    H154153  -1.846  -3.435   3.517
+ 1594TIP3    H254154  -1.755  -3.453   3.398
+ 1594TIP3   OH254155  -1.691  -3.584   3.287
+ 1594TIP3    H154156  -1.694  -3.575   3.190
+ 1594TIP3    H254157  -1.595  -3.587   3.303
+ 1595TIP3   OH254158  -0.737  -3.339   3.210
+ 1595TIP3    H154159  -0.768  -3.366   3.122
+ 1595TIP3    H254160  -0.743  -3.242   3.200
+ 1595TIP3   OH254161  -1.715  -2.458   3.396
+ 1595TIP3    H154162  -1.619  -2.449   3.408
+ 1595TIP3    H254163  -1.726  -2.415   3.310
+ 1595TIP3   OH254164  -2.323  -3.020   3.350
+ 1595TIP3    H154165  -2.228  -3.000   3.364
+ 1595TIP3    H254166  -2.319  -3.099   3.292
+ 1595TIP3   OH254167  -2.416  -2.494   3.821
+ 1595TIP3    H154168  -2.483  -2.536   3.761
+ 1595TIP3    H254169  -2.413  -2.560   3.894
+ 1595TIP3   OH254170  -2.405  -2.686   4.015
+ 1595TIP3    H154171  -2.404  -2.777   4.046
+ 1595TIP3    H254172  -2.337  -2.647   4.073
+ 1595TIP3   OH254173  -0.604  -2.640   4.282
+ 1595TIP3    H154174  -0.617  -2.616   4.376
+ 1595TIP3    H254175  -0.537  -2.575   4.258
+ 1595TIP3   OH254176  -0.699  -3.198   3.613
+ 1595TIP3    H154177  -0.609  -3.164   3.630
+ 1595TIP3    H254178  -0.710  -3.258   3.688
+ 1595TIP3   OH254179  -0.636  -3.408   3.825
+ 1595TIP3    H154180  -0.717  -3.455   3.854
+ 1595TIP3    H254181  -0.592  -3.389   3.909
+ 1595TIP3   OH254182  -0.643  -3.178   4.324
+ 1595TIP3    H154183  -0.622  -3.205   4.235
+ 1595TIP3    H254184  -0.695  -3.098   4.308
+ 1595TIP3   OH254185  -0.627  -3.453   3.469
+ 1595TIP3    H154186  -0.679  -3.427   3.390
+ 1595TIP3    H254187  -0.642  -3.376   3.527
+ 1596TIP3   OH254188  -0.802  -3.698   3.292
+ 1596TIP3    H154189  -0.773  -3.640   3.221
+ 1596TIP3    H254190  -0.826  -3.779   3.246
+ 1596TIP3   OH254191  -0.852  -3.583   3.894
+ 1596TIP3    H154192  -0.867  -3.676   3.867
+ 1596TIP3    H254193  -0.900  -3.579   3.979
+ 1596TIP3   OH254194  -2.374  -3.410   4.260
+ 1596TIP3    H154195  -2.338  -3.373   4.178
+ 1596TIP3    H254196  -2.297  -3.407   4.318
+ 1596TIP3   OH254197  -0.853  -3.977   3.200
+ 1596TIP3    H154198  -0.799  -4.013   3.273
+ 1596TIP3    H254199  -0.939  -4.019   3.216
+ 1596TIP3   OH254200  -0.872  -3.820   3.712
+ 1596TIP3    H154201  -0.872  -3.916   3.727
+ 1596TIP3    H254202  -0.786  -3.808   3.668
+ 1596TIP3   OH254203  -0.856  -3.772   4.220
+ 1596TIP3    H154204  -0.761  -3.779   4.234
+ 1596TIP3    H254205  -0.893  -3.792   4.308
+ 1596TIP3   OH254206  -0.836  -4.104   3.715
+ 1596TIP3    H154207  -0.851  -4.131   3.806
+ 1596TIP3    H254208  -0.911  -4.148   3.671
+ 1596TIP3   OH254209  -2.301  -3.983   4.189
+ 1596TIP3    H154210  -2.286  -4.080   4.198
+ 1596TIP3    H254211  -2.238  -3.949   4.254
+ 1596TIP3   OH254212  -2.463  -3.697   4.302
+ 1596TIP3    H154213  -2.418  -3.735   4.224
+ 1596TIP3    H254214  -2.434  -3.604   4.296
+ 1596TIP3   OH254215  -0.634  -4.052   3.366
+ 1596TIP3    H154216  -0.618  -4.143   3.340
+ 1596TIP3    H254217  -0.546  -4.017   3.386
+ 1597TIP3   OH254218  -2.401  -4.105   3.689
+ 1597TIP3    H154219  -2.496  -4.093   3.672
+ 1597TIP3    H254220  -2.361  -4.035   3.634
+ 1597TIP3   OH254221  -0.947  -2.568   3.891
+ 1597TIP3    H154222  -0.888  -2.593   3.819
+ 1597TIP3    H254223  -0.886  -2.531   3.957
+ 1597TIP3   OH254224  -2.266  -2.673   4.348
+ 1597TIP3    H154225  -2.221  -2.750   4.383
+ 1597TIP3    H254226  -2.210  -2.650   4.270
+ 1597TIP3   OH254227  -1.924  -2.822   4.122
+ 1597TIP3    H154228  -2.009  -2.866   4.139
+ 1597TIP3    H254229  -1.955  -2.729   4.123
+ 1597TIP3   OH254230  -1.704  -2.688   4.221
+ 1597TIP3    H154231  -1.747  -2.759   4.171
+ 1597TIP3    H254232  -1.742  -2.704   4.308
+ 1597TIP3   OH254233  -0.881  -4.344   4.160
+ 1597TIP3    H154234  -0.837  -4.274   4.111
+ 1597TIP3    H254235  -0.976  -4.321   4.153
+ 1597TIP3   OH254236  -0.660  -4.223   3.966
+ 1597TIP3    H154237  -0.648  -4.240   3.873
+ 1597TIP3    H254238  -0.688  -4.131   3.970
+ 1597TIP3   OH254239  -2.179  -4.285   3.864
+ 1597TIP3    H154240  -2.270  -4.309   3.845
+ 1597TIP3    H254241  -2.141  -4.367   3.896
+ 1597TIP3   OH254242  -2.320  -4.291   3.487
+ 1597TIP3    H154243  -2.273  -4.242   3.417
+ 1597TIP3    H254244  -2.356  -4.218   3.540
+ 1597TIP3   OH254245  -1.703  -4.262   3.868
+ 1597TIP3    H154246  -1.625  -4.209   3.886
+ 1597TIP3    H254247  -1.726  -4.290   3.958
+ 1598TIP3   OH254248  -1.147  -4.288   4.041
+ 1598TIP3    H154249  -1.193  -4.249   3.965
+ 1598TIP3    H254250  -1.194  -4.370   4.061
+ 1598TIP3   OH254251  -1.064  -4.269   3.599
+ 1598TIP3    H154252  -1.138  -4.206   3.611
+ 1598TIP3    H254253  -1.101  -4.350   3.636
+ 1598TIP3   OH254254  -2.281  -2.697   3.588
+ 1598TIP3    H154255  -2.348  -2.704   3.518
+ 1598TIP3    H254256  -2.279  -2.602   3.602
+ 1598TIP3   OH254257  -2.127  -4.126   3.333
+ 1598TIP3    H154258  -2.056  -4.161   3.275
+ 1598TIP3    H254259  -2.074  -4.074   3.396
+ 1598TIP3   OH254260  -1.612  -4.062   3.580
+ 1598TIP3    H154261  -1.568  -4.134   3.627
+ 1598TIP3    H254262  -1.585  -3.985   3.635
+ 1598TIP3   OH254263  -1.410  -2.512   3.403
+ 1598TIP3    H154264  -1.312  -2.512   3.401
+ 1598TIP3    H254265  -1.429  -2.579   3.337
+ 1598TIP3   OH254266  -0.757  -2.611   3.664
+ 1598TIP3    H154267  -0.782  -2.695   3.619
+ 1598TIP3    H254268  -0.763  -2.549   3.590
+ 1598TIP3   OH254269  -2.132  -2.600   3.273
+ 1598TIP3    H154270  -2.157  -2.577   3.364
+ 1598TIP3    H254271  -2.056  -2.659   3.287
+ 1598TIP3   OH254272   0.603  -3.370   3.923
+ 1598TIP3    H154273   0.611  -3.273   3.930
+ 1598TIP3    H254274   0.534  -3.378   3.855
+ 1598TIP3   OH254275   0.498  -3.429   4.247
+ 1598TIP3    H154276   0.494  -3.504   4.308
+ 1598TIP3    H254277   0.489  -3.471   4.161
+ 1599TIP3   OH254278   0.850  -3.152   4.035
+ 1599TIP3    H154279   0.814  -3.222   4.092
+ 1599TIP3    H254280   0.894  -3.101   4.106
+ 1599TIP3   OH254281  -0.491  -3.650   3.781
+ 1599TIP3    H154282  -0.542  -3.567   3.782
+ 1599TIP3    H254283  -0.559  -3.713   3.754
+ 1599TIP3   OH254284  -0.386  -3.394   4.048
+ 1599TIP3    H154285  -0.394  -3.491   4.057
+ 1599TIP3    H254286  -0.350  -3.387   3.958
+ 1599TIP3   OH254287   0.558  -2.615   4.110
+ 1599TIP3    H154288   0.626  -2.678   4.082
+ 1599TIP3    H254289   0.538  -2.643   4.201
+ 1599TIP3   OH254290   0.305  -3.199   4.278
+ 1599TIP3    H154291   0.346  -3.267   4.223
+ 1599TIP3    H254292   0.387  -3.163   4.319
+ 1599TIP3   OH254293   0.654  -3.722   4.321
+ 1599TIP3    H154294   0.692  -3.808   4.345
+ 1599TIP3    H254295   0.660  -3.722   4.223
+ 1599TIP3   OH254296  -0.040  -3.940   4.042
+ 1599TIP3    H154297  -0.018  -3.856   3.997
+ 1599TIP3    H254298  -0.070  -3.993   3.964
+ 1599TIP3   OH254299   0.759  -3.918   3.874
+ 1599TIP3    H154300   0.816  -3.964   3.938
+ 1599TIP3    H254301   0.825  -3.877   3.816
+ 1599TIP3   OH254302  -0.342  -3.674   4.100
+ 1599TIP3    H154303  -0.299  -3.740   4.155
+ 1599TIP3    H254304  -0.341  -3.720   4.014
+ 1599TIP3   OH254305   0.166  -3.530   4.059
+ 1599TIP3    H154306   0.243  -3.585   4.083
+ 1599TIP3    H254307   0.124  -3.585   3.990
+ 1600TIP3   OH254308   0.599  -3.084   3.793
+ 1600TIP3    H154309   0.571  -3.101   3.702
+ 1600TIP3    H254310   0.558  -2.998   3.812
+ 1600TIP3   OH254311   0.946  -4.014   4.071
+ 1600TIP3    H154312   0.906  -4.066   4.143
+ 1600TIP3    H254313   0.994  -3.949   4.126
+ 1600TIP3   OH254314  -0.111  -3.850   4.297
+ 1600TIP3    H154315  -0.128  -3.757   4.279
+ 1600TIP3    H254316  -0.113  -3.891   4.208
+ 1600TIP3   OH254317  -0.426  -3.112   3.628
+ 1600TIP3    H154318  -0.443  -3.065   3.545
+ 1600TIP3    H254319  -0.408  -3.039   3.692
+ 1600TIP3   OH254320   0.946  -3.091   4.277
+ 1600TIP3    H154321   0.870  -3.074   4.336
+ 1600TIP3    H254322   0.995  -3.009   4.285
+ 1600TIP3   OH254323   0.249   4.378   4.165
+ 1600TIP3    H154324   0.267   4.288   4.195
+ 1600TIP3    H254325   0.184   4.410   4.229
+ 1600TIP3   OH254326   0.746  -2.771   3.952
+ 1600TIP3    H154327   0.798  -2.851   3.931
+ 1600TIP3    H254328   0.816  -2.703   3.948
+ 1600TIP3   OH254329   0.901  -2.991   3.819
+ 1600TIP3    H154330   0.843  -3.033   3.754
+ 1600TIP3    H254331   0.889  -3.051   3.896
+ 1600TIP3   OH254332   0.475  -3.415   3.642
+ 1600TIP3    H154333   0.410  -3.354   3.603
+ 1600TIP3    H254334   0.548  -3.410   3.577
+ 1600TIP3   OH254335   0.504  -3.595   3.346
+ 1600TIP3    H154336   0.573  -3.565   3.408
+ 1600TIP3    H254337   0.557  -3.653   3.288
+ 1601TIP3   OH254338   0.825  -3.415   3.750
+ 1601TIP3    H154339   0.760  -3.392   3.819
+ 1601TIP3    H254340   0.887  -3.470   3.801
+ 1601TIP3   OH254341  -0.032  -3.327   3.944
+ 1601TIP3    H154342  -0.061  -3.372   3.863
+ 1601TIP3    H254343   0.027  -3.391   3.985
+ 1601TIP3   OH254344   0.067  -3.030   4.165
+ 1601TIP3    H154345   0.098  -3.049   4.076
+ 1601TIP3    H254346   0.150  -3.020   4.214
+ 1601TIP3   OH254347  -0.001  -3.443   4.269
+ 1601TIP3    H154348   0.063  -3.463   4.198
+ 1601TIP3    H254349   0.059  -3.435   4.345
+ 1601TIP3   OH254350   0.723  -3.472   3.495
+ 1601TIP3    H154351   0.770  -3.443   3.576
+ 1601TIP3    H254352   0.772  -3.420   3.427
+ 1601TIP3   OH254353   0.462  -2.811   3.856
+ 1601TIP3    H154354   0.520  -2.778   3.925
+ 1601TIP3    H254355   0.419  -2.730   3.823
+ 1601TIP3   OH254356   1.042  -4.322   3.415
+ 1601TIP3    H154357   0.996  -4.323   3.501
+ 1601TIP3    H254358   1.120  -4.270   3.440
+ 1601TIP3   OH254359  -0.119  -3.459   3.683
+ 1601TIP3    H154360  -0.140  -3.384   3.624
+ 1601TIP3    H254361  -0.183  -3.525   3.655
+ 1601TIP3   OH254362   1.205  -2.882   3.298
+ 1601TIP3    H154363   1.220  -2.789   3.321
+ 1601TIP3    H254364   1.292  -2.922   3.319
+ 1601TIP3   OH254365  -0.490  -2.921   4.260
+ 1601TIP3    H154366  -0.404  -2.882   4.244
+ 1601TIP3    H254367  -0.542  -2.841   4.278
+ 1602TIP3   OH254368   0.423  -2.539   3.699
+ 1602TIP3    H154369   0.424  -2.526   3.602
+ 1602TIP3    H254370   0.424  -2.448   3.732
+ 1602TIP3   OH254371  -0.197  -2.625   3.865
+ 1602TIP3    H154372  -0.183  -2.674   3.948
+ 1602TIP3    H254373  -0.281  -2.663   3.835
+ 1602TIP3   OH254374   0.752  -2.596   3.417
+ 1602TIP3    H154375   0.810  -2.662   3.374
+ 1602TIP3    H254376   0.746  -2.633   3.508
+ 1602TIP3   OH254377   0.691  -2.656   3.694
+ 1602TIP3    H154378   0.597  -2.637   3.712
+ 1602TIP3    H254379   0.710  -2.720   3.765
+ 1602TIP3   OH254380   0.000  -4.211   4.301
+ 1602TIP3    H154381  -0.068  -4.222   4.234
+ 1602TIP3    H254382   0.018  -4.115   4.301
+ 1602TIP3   OH254383   0.877  -3.364   3.295
+ 1602TIP3    H154384   0.858  -3.380   3.200
+ 1602TIP3    H254385   0.971  -3.337   3.290
+ 1602TIP3   OH254386   0.442  -3.993   3.341
+ 1602TIP3    H154387   0.389  -4.004   3.422
+ 1602TIP3    H254388   0.393  -4.054   3.282
+ 1602TIP3   OH254389   0.006  -3.707   3.884
+ 1602TIP3    H154390  -0.090  -3.716   3.867
+ 1602TIP3    H254391   0.042  -3.728   3.796
+ 1602TIP3   OH254392   0.566  -3.651   3.762
+ 1602TIP3    H154393   0.525  -3.569   3.727
+ 1602TIP3    H254394   0.633  -3.668   3.694
+ 1602TIP3   OH254395   0.644  -3.710   4.042
+ 1602TIP3    H154396   0.617  -3.653   3.967
+ 1602TIP3    H254397   0.666  -3.792   3.993
+ 1603TIP3   OH254398   0.085  -3.944   3.237
+ 1603TIP3    H154399   0.053  -3.977   3.323
+ 1603TIP3    H254400   0.004  -3.922   3.191
+ 1603TIP3   OH254401  -0.551  -3.931   3.936
+ 1603TIP3    H154402  -0.518  -3.958   4.023
+ 1603TIP3    H254403  -0.524  -4.003   3.878
+ 1603TIP3   OH254404  -0.416  -3.914   3.510
+ 1603TIP3    H154405  -0.360  -3.860   3.452
+ 1603TIP3    H254406  -0.486  -3.849   3.533
+ 1603TIP3   OH254407   0.274  -3.940   3.983
+ 1603TIP3    H154408   0.182  -3.959   4.006
+ 1603TIP3    H254409   0.321  -3.975   4.060
+ 1603TIP3   OH254410  -0.258  -3.823   3.849
+ 1603TIP3    H154411  -0.346  -3.802   3.813
+ 1603TIP3    H254412  -0.235  -3.908   3.805
+ 1603TIP3   OH254413   0.100  -3.790   3.623
+ 1603TIP3    H154414   0.197  -3.787   3.627
+ 1603TIP3    H254415   0.077  -3.731   3.549
+ 1603TIP3   OH254416   0.716  -4.071   4.268
+ 1603TIP3    H154417   0.686  -4.047   4.357
+ 1603TIP3    H254418   0.633  -4.076   4.218
+ 1603TIP3   OH254419  -0.054  -3.671   3.397
+ 1603TIP3    H154420  -0.111  -3.693   3.322
+ 1603TIP3    H254421   0.029  -3.648   3.350
+ 1603TIP3   OH254422   0.368  -3.707   4.193
+ 1603TIP3    H154423   0.439  -3.739   4.135
+ 1603TIP3    H254424   0.373  -3.772   4.265
+ 1603TIP3   OH254425  -0.103  -4.067   3.788
+ 1603TIP3    H154426  -0.148  -4.152   3.803
+ 1603TIP3    H254427  -0.015  -4.096   3.758
+ 1604TIP3   OH254428   0.292  -3.209   3.583
+ 1604TIP3    H154429   0.216  -3.260   3.546
+ 1604TIP3    H254430   0.273  -3.209   3.679
+ 1604TIP3   OH254431   0.711  -3.929   3.342
+ 1604TIP3    H154432   0.613  -3.938   3.346
+ 1604TIP3    H254433   0.730  -3.863   3.411
+ 1604TIP3   OH254434   0.776  -3.750   3.557
+ 1604TIP3    H154435   0.862  -3.763   3.602
+ 1604TIP3    H254436   0.785  -3.660   3.521
+ 1604TIP3   OH254437   0.533  -3.073   3.475
+ 1604TIP3    H154438   0.507  -2.986   3.512
+ 1604TIP3    H254439   0.457  -3.128   3.502
+ 1604TIP3   OH254440   1.238  -3.746   3.538
+ 1604TIP3    H154441   1.181  -3.765   3.461
+ 1604TIP3    H254442   1.249  -3.650   3.525
+ 1604TIP3   OH254443   1.052  -2.885   3.545
+ 1604TIP3    H154444   1.035  -2.960   3.603
+ 1604TIP3    H254445   1.112  -2.921   3.478
+ 1604TIP3   OH254446   0.765  -3.335   4.246
+ 1604TIP3    H154447   0.677  -3.370   4.271
+ 1604TIP3    H254448   0.806  -3.411   4.201
+ 1604TIP3   OH254449   0.048  -2.941   3.882
+ 1604TIP3    H154450   0.090  -2.855   3.872
+ 1604TIP3    H254451  -0.044  -2.920   3.861
+ 1604TIP3   OH254452  -0.355  -3.462   3.351
+ 1604TIP3    H154453  -0.298  -3.394   3.391
+ 1604TIP3    H254454  -0.443  -3.435   3.385
+ 1604TIP3   OH254455   0.219  -3.181   3.858
+ 1604TIP3    H154456   0.194  -3.087   3.863
+ 1604TIP3    H254457   0.143  -3.224   3.899
+ 1605TIP3   OH254458   0.089  -2.651   3.814
+ 1605TIP3    H154459  -0.006  -2.633   3.819
+ 1605TIP3    H254460   0.126  -2.565   3.839
+ 1605TIP3   OH254461   0.802  -3.043   3.335
+ 1605TIP3    H154462   0.845  -3.086   3.411
+ 1605TIP3    H254463   0.709  -3.055   3.362
+ 1605TIP3   OH254464   1.277  -2.616   3.389
+ 1605TIP3    H154465   1.346  -2.551   3.368
+ 1605TIP3    H254466   1.200  -2.557   3.392
+ 1605TIP3   OH254467   0.898  -3.182   3.573
+ 1605TIP3    H154468   0.872  -3.252   3.635
+ 1605TIP3    H254469   0.995  -3.181   3.583
+ 1605TIP3   OH254470   0.227  -2.936   3.194
+ 1605TIP3    H154471   0.256  -3.014   3.144
+ 1605TIP3    H254472   0.185  -2.976   3.272
+ 1605TIP3   OH254473   0.111  -2.986   3.466
+ 1605TIP3    H154474   0.164  -3.037   3.529
+ 1605TIP3    H254475   0.125  -2.894   3.497
+ 1605TIP3   OH254476  -0.205  -3.241   3.506
+ 1605TIP3    H154477  -0.278  -3.201   3.557
+ 1605TIP3    H254478  -0.158  -3.161   3.475
+ 1605TIP3   OH254479   0.638  -4.057   3.630
+ 1605TIP3    H154480   0.643  -3.996   3.556
+ 1605TIP3    H254481   0.671  -4.003   3.703
+ 1605TIP3   OH254482   0.404  -2.825   3.527
+ 1605TIP3    H154483   0.325  -2.773   3.547
+ 1605TIP3    H254484   0.443  -2.775   3.455
+ 1605TIP3   OH254485   0.368  -3.850   3.730
+ 1605TIP3    H154486   0.443  -3.789   3.746
+ 1605TIP3    H254487   0.338  -3.869   3.821
+ 1606TIP3   OH254488   0.430  -4.172   3.824
+ 1606TIP3    H154489   0.411  -4.100   3.887
+ 1606TIP3    H254490   0.495  -4.130   3.765
+ 1606TIP3   OH254491   0.124  -2.715   3.528
+ 1606TIP3    H154492   0.120  -2.635   3.472
+ 1606TIP3    H254493   0.113  -2.679   3.618
+ 1606TIP3   OH254494  -0.007  -4.051   3.478
+ 1606TIP3    H154495  -0.006  -3.972   3.535
+ 1606TIP3    H254496   0.080  -4.090   3.503
+ 1606TIP3   OH254497   0.878  -3.572   4.137
+ 1606TIP3    H154498   0.797  -3.618   4.109
+ 1606TIP3    H254499   0.931  -3.647   4.172
+ 1606TIP3   OH254500  -0.163  -2.962   3.382
+ 1606TIP3    H154501  -0.090  -2.910   3.420
+ 1606TIP3    H254502  -0.113  -3.010   3.313
+ 1606TIP3   OH254503  -0.350  -3.742   3.289
+ 1606TIP3    H154504  -0.334  -3.649   3.315
+ 1606TIP3    H254505  -0.443  -3.738   3.265
+ 1606TIP3   OH254506   1.015  -2.553   4.382
+ 1606TIP3    H154507   0.996  -2.473   4.329
+ 1606TIP3    H254508   1.060  -2.602   4.313
+ 1606TIP3   OH254509  -0.330  -4.241   4.180
+ 1606TIP3    H154510  -0.303  -4.242   4.088
+ 1606TIP3    H254511  -0.300  -4.331   4.206
+ 1606TIP3   OH254512  -0.368  -2.891   3.801
+ 1606TIP3    H154513  -0.444  -2.836   3.822
+ 1606TIP3    H254514  -0.326  -2.839   3.730
+ 1606TIP3   OH254515   0.449  -2.766   3.243
+ 1606TIP3    H154516   0.373  -2.828   3.234
+ 1606TIP3    H254517   0.520  -2.820   3.205
+ 1607TIP3   OH254518   0.911  -2.776   3.254
+ 1607TIP3    H154519   0.928  -2.856   3.307
+ 1607TIP3    H254520   0.991  -2.771   3.198
+ 1607TIP3   OH254521  -0.010  -3.194   3.227
+ 1607TIP3    H154522   0.009  -3.252   3.303
+ 1607TIP3    H254523   0.077  -3.195   3.182
+ 1607TIP3   OH254524   0.514  -3.061   3.189
+ 1607TIP3    H154525   0.511  -3.064   3.286
+ 1607TIP3    H254526   0.510  -3.157   3.168
+ 1607TIP3   OH254527   0.100  -3.385   3.462
+ 1607TIP3    H154528   0.040  -3.435   3.518
+ 1607TIP3    H254529   0.130  -3.454   3.398
+ 1607TIP3   OH254530   0.194  -3.584   3.286
+ 1607TIP3    H154531   0.192  -3.574   3.189
+ 1607TIP3    H254532   0.290  -3.588   3.303
+ 1607TIP3   OH254533   1.147  -3.333   3.218
+ 1607TIP3    H154534   1.135  -3.373   3.131
+ 1607TIP3    H254535   1.136  -3.238   3.196
+ 1607TIP3   OH254536   0.172  -2.463   3.396
+ 1607TIP3    H154537   0.267  -2.448   3.408
+ 1607TIP3    H254538   0.157  -2.414   3.313
+ 1607TIP3   OH254539  -0.437  -3.022   3.355
+ 1607TIP3    H154540  -0.342  -3.000   3.364
+ 1607TIP3    H254541  -0.434  -3.097   3.292
+ 1607TIP3   OH254542  -0.537  -2.501   3.823
+ 1607TIP3    H154543  -0.609  -2.539   3.769
+ 1607TIP3    H254544  -0.528  -2.570   3.892
+ 1607TIP3   OH254545  -0.494  -2.701   4.018
+ 1607TIP3    H154546  -0.535  -2.785   4.042
+ 1607TIP3    H254547  -0.464  -2.673   4.107
+ 1608TIP3   OH254548   1.273  -2.564   4.269
+ 1608TIP3    H154549   1.250  -2.578   4.363
+ 1608TIP3    H254550   1.370  -2.560   4.274
+ 1608TIP3   OH254551   1.186  -3.195   3.613
+ 1608TIP3    H154552   1.276  -3.162   3.630
+ 1608TIP3    H254553   1.177  -3.258   3.687
+ 1608TIP3   OH254554   1.235  -3.401   3.812
+ 1608TIP3    H154555   1.165  -3.454   3.855
+ 1608TIP3    H254556   1.301  -3.389   3.884
+ 1608TIP3   OH254557   1.228  -3.168   4.336
+ 1608TIP3    H154558   1.275  -3.218   4.269
+ 1608TIP3    H254559   1.215  -3.082   4.294
+ 1608TIP3   OH254560   1.258  -3.454   3.468
+ 1608TIP3    H154561   1.206  -3.426   3.390
+ 1608TIP3    H254562   1.243  -3.379   3.528
+ 1608TIP3   OH254563   1.084  -3.698   3.294
+ 1608TIP3    H154564   1.112  -3.638   3.224
+ 1608TIP3    H254565   1.059  -3.778   3.244
+ 1608TIP3   OH254566   1.023  -3.583   3.893
+ 1608TIP3    H154567   1.017  -3.678   3.875
+ 1608TIP3    H254568   0.987  -3.576   3.983
+ 1608TIP3   OH254569   1.026  -3.970   3.211
+ 1608TIP3    H154570   1.085  -4.012   3.275
+ 1608TIP3    H254571   0.943  -4.018   3.223
+ 1608TIP3   OH254572   1.008  -3.827   3.712
+ 1608TIP3    H154573   1.025  -3.924   3.717
+ 1608TIP3    H254574   1.090  -3.798   3.669
+ 1608TIP3   OH254575   1.031  -3.776   4.219
+ 1608TIP3    H154576   1.126  -3.773   4.235
+ 1608TIP3    H254577   0.994  -3.785   4.309
+ 1609TIP3   OH254578   1.039  -4.099   3.719
+ 1609TIP3    H154579   1.057  -4.149   3.800
+ 1609TIP3    H254580   0.976  -4.159   3.674
+ 1609TIP3   OH254581  -0.415  -3.982   4.194
+ 1609TIP3    H154582  -0.402  -4.079   4.199
+ 1609TIP3    H254583  -0.349  -3.952   4.257
+ 1609TIP3   OH254584  -0.581  -3.703   4.298
+ 1609TIP3    H154585  -0.538  -3.749   4.225
+ 1609TIP3    H254586  -0.533  -3.619   4.300
+ 1609TIP3   OH254587   1.252  -4.057   3.381
+ 1609TIP3    H154588   1.268  -4.142   3.335
+ 1609TIP3    H254589   1.338  -4.015   3.380
+ 1609TIP3   OH254590  -0.517  -4.110   3.685
+ 1609TIP3    H154591  -0.613  -4.097   3.674
+ 1609TIP3    H254592  -0.479  -4.036   3.635
+ 1609TIP3   OH254593   0.941  -2.569   3.899
+ 1609TIP3    H154594   0.995  -2.592   3.822
+ 1609TIP3    H254595   1.005  -2.532   3.961
+ 1609TIP3   OH254596  -0.335  -2.680   4.256
+ 1609TIP3    H154597  -0.307  -2.658   4.348
+ 1609TIP3    H254598  -0.247  -2.692   4.215
+ 1609TIP3   OH254599  -0.121  -2.771   4.117
+ 1609TIP3    H154600  -0.110  -2.867   4.131
+ 1609TIP3    H254601  -0.033  -2.739   4.147
+ 1609TIP3   OH254602   0.130  -2.707   4.213
+ 1609TIP3    H154603   0.172  -2.790   4.186
+ 1609TIP3    H254604   0.149  -2.707   4.307
+ 1609TIP3   OH254605   0.469  -4.109   4.126
+ 1609TIP3    H154606   0.408  -4.180   4.153
+ 1609TIP3    H254607   0.537  -4.160   4.077
+ 1610TIP3   OH254608   1.001  -4.350   4.148
+ 1610TIP3    H154609   1.055  -4.279   4.112
+ 1610TIP3    H254610   0.914  -4.311   4.162
+ 1610TIP3   OH254611   1.202  -4.223   3.959
+ 1610TIP3    H154612   1.250  -4.243   3.878
+ 1610TIP3    H254613   1.212  -4.127   3.969
+ 1610TIP3   OH254614  -0.292  -4.287   3.856
+ 1610TIP3    H154615  -0.387  -4.303   3.851
+ 1610TIP3    H254616  -0.259  -4.368   3.897
+ 1610TIP3   OH254617  -0.438  -4.284   3.469
+ 1610TIP3    H154618  -0.381  -4.229   3.413
+ 1610TIP3    H254619  -0.473  -4.221   3.534
+ 1610TIP3   OH254620   0.154  -4.235   3.889
+ 1610TIP3    H154621   0.248  -4.232   3.868
+ 1610TIP3    H254622   0.153  -4.287   3.970
+ 1610TIP3   OH254623   0.687  -4.269   4.012
+ 1610TIP3    H154624   0.751  -4.273   3.941
+ 1610TIP3    H254625   0.711  -4.346   4.068
+ 1610TIP3   OH254626   0.824  -4.272   3.618
+ 1610TIP3    H154627   0.747  -4.214   3.604
+ 1610TIP3    H254628   0.783  -4.359   3.625
+ 1610TIP3   OH254629  -0.392  -2.697   3.596
+ 1610TIP3    H154630  -0.454  -2.708   3.522
+ 1610TIP3    H254631  -0.391  -2.600   3.602
+ 1610TIP3   OH254632  -0.240  -4.110   3.315
+ 1610TIP3    H154633  -0.169  -4.158   3.268
+ 1610TIP3    H254634  -0.187  -4.064   3.383
+ 1610TIP3   OH254635   0.279  -4.058   3.561
+ 1610TIP3    H154636   0.290  -4.143   3.609
+ 1610TIP3    H254637   0.300  -3.991   3.628
+ 1611TIP3   OH254638   0.476  -2.514   3.406
+ 1611TIP3    H154639   0.573  -2.511   3.401
+ 1611TIP3    H254640   0.457  -2.579   3.336
+ 1611TIP3   OH254641   1.128  -2.611   3.664
+ 1611TIP3    H154642   1.103  -2.694   3.618
+ 1611TIP3    H254643   1.122  -2.547   3.591
+ 1611TIP3   OH254644  -0.251  -2.607   3.273
+ 1611TIP3    H154645  -0.270  -2.572   3.361
+ 1611TIP3    H254646  -0.168  -2.656   3.287
+ 1611TIP3   OH254647   2.477  -3.378   3.892
+ 1611TIP3    H154648   2.502  -3.292   3.932
+ 1611TIP3    H254649   2.390  -3.353   3.858
+ 1611TIP3   OH254650   2.383  -3.432   4.241
+ 1611TIP3    H154651   2.379  -3.499   4.313
+ 1611TIP3    H254652   2.362  -3.486   4.164
+ 1611TIP3   OH254653   2.734  -3.155   4.035
+ 1611TIP3    H154654   2.700  -3.222   4.097
+ 1611TIP3    H254655   2.777  -3.100   4.104
+ 1611TIP3   OH254656   1.698  -3.006   4.247
+ 1611TIP3    H154657   1.670  -3.097   4.224
+ 1611TIP3    H254658   1.793  -3.022   4.257
+ 1611TIP3   OH254659   1.394  -3.659   3.779
+ 1611TIP3    H154660   1.354  -3.571   3.788
+ 1611TIP3    H254661   1.322  -3.710   3.740
+ 1611TIP3   OH254662   1.469  -3.422   3.974
+ 1611TIP3    H154663   1.491  -3.498   4.031
+ 1611TIP3    H254664   1.553  -3.410   3.927
+ 1611TIP3   OH254665   2.445  -2.614   4.111
+ 1611TIP3    H154666   2.513  -2.679   4.085
+ 1611TIP3    H254667   2.423  -2.642   4.201
+ 1612TIP3   OH254668   2.190  -3.204   4.278
+ 1612TIP3    H154669   2.237  -3.269   4.224
+ 1612TIP3    H254670   2.268  -3.164   4.322
+ 1612TIP3   OH254671   2.543  -3.720   4.311
+ 1612TIP3    H154672   2.577  -3.806   4.342
+ 1612TIP3    H254673   2.537  -3.732   4.215
+ 1612TIP3   OH254674   1.851  -3.943   4.039
+ 1612TIP3    H154675   1.865  -3.856   3.998
+ 1612TIP3    H254676   1.817  -3.993   3.963
+ 1612TIP3   OH254677   2.646  -3.902   3.872
+ 1612TIP3    H154678   2.694  -3.957   3.938
+ 1612TIP3    H254679   2.721  -3.879   3.813
+ 1612TIP3   OH254680   1.555  -3.671   4.099
+ 1612TIP3    H154681   1.585  -3.740   4.159
+ 1612TIP3    H254682   1.548  -3.719   4.015
+ 1612TIP3   OH254683   2.060  -3.530   4.051
+ 1612TIP3    H154684   2.128  -3.591   4.086
+ 1612TIP3    H254685   2.010  -3.590   3.992
+ 1612TIP3   OH254686   2.484  -3.087   3.788
+ 1612TIP3    H154687   2.454  -3.093   3.697
+ 1612TIP3    H254688   2.447  -3.001   3.815
+ 1612TIP3   OH254689   2.825  -4.009   4.071
+ 1612TIP3    H154690   2.791  -4.066   4.142
+ 1612TIP3    H254691   2.879  -3.949   4.126
+ 1612TIP3   OH254692   1.774  -3.849   4.297
+ 1612TIP3    H154693   1.754  -3.756   4.281
+ 1612TIP3    H254694   1.768  -3.889   4.208
+ 1612TIP3   OH254695   1.462  -3.112   3.627
+ 1612TIP3    H154696   1.441  -3.062   3.546
+ 1612TIP3    H254697   1.478  -3.042   3.693
+ 1613TIP3   OH254698   2.827  -3.072   4.269
+ 1613TIP3    H154699   2.770  -3.075   4.349
+ 1613TIP3    H254700   2.901  -3.017   4.298
+ 1613TIP3   OH254701   2.138   4.380   4.167
+ 1613TIP3    H154702   2.150   4.288   4.194
+ 1613TIP3    H254703   2.068   4.412   4.228
+ 1613TIP3   OH254704   2.635  -2.772   3.954
+ 1613TIP3    H154705   2.688  -2.850   3.930
+ 1613TIP3    H254706   2.702  -2.701   3.948
+ 1613TIP3   OH254707   2.789  -2.993   3.819
+ 1613TIP3    H154708   2.724  -3.027   3.757
+ 1613TIP3    H254709   2.775  -3.051   3.897
+ 1613TIP3   OH254710   2.443  -3.597   3.394
+ 1613TIP3    H154711   2.524  -3.571   3.349
+ 1613TIP3    H254712   2.394  -3.635   3.319
+ 1613TIP3   OH254713   2.683  -3.460   3.729
+ 1613TIP3    H154714   2.647  -3.399   3.796
+ 1613TIP3    H254715   2.768  -3.486   3.771
+ 1613TIP3   OH254716   1.877  -3.332   3.924
+ 1613TIP3    H154717   1.837  -3.376   3.846
+ 1613TIP3    H254718   1.931  -3.402   3.963
+ 1613TIP3   OH254719   1.971  -3.019   4.157
+ 1613TIP3    H154720   1.998  -3.059   4.073
+ 1613TIP3    H254721   2.053  -3.020   4.209
+ 1613TIP3   OH254722   1.891  -3.455   4.268
+ 1613TIP3    H154723   1.963  -3.459   4.203
+ 1613TIP3    H254724   1.936  -3.422   4.347
+ 1613TIP3   OH254725   2.351  -2.812   3.856
+ 1613TIP3    H154726   2.403  -2.776   3.928
+ 1613TIP3    H254727   2.305  -2.734   3.822
+ 1614TIP3   OH254728   2.926  -4.319   3.415
+ 1614TIP3    H154729   2.885  -4.325   3.503
+ 1614TIP3    H254730   3.006  -4.270   3.438
+ 1614TIP3   OH254731   1.766  -3.464   3.679
+ 1614TIP3    H154732   1.743  -3.386   3.624
+ 1614TIP3    H254733   1.697  -3.526   3.654
+ 1614TIP3   OH254734   3.094  -2.868   3.312
+ 1614TIP3    H154735   3.116  -2.773   3.315
+ 1614TIP3    H254736   3.181  -2.909   3.326
+ 1614TIP3   OH254737   1.385  -2.920   4.234
+ 1614TIP3    H154738   1.481  -2.922   4.245
+ 1614TIP3    H254739   1.359  -2.843   4.286
+ 1614TIP3   OH254740   2.312  -2.539   3.699
+ 1614TIP3    H154741   2.309  -2.526   3.603
+ 1614TIP3    H254742   2.310  -2.448   3.733
+ 1614TIP3   OH254743   1.689  -2.625   3.861
+ 1614TIP3    H154744   1.703  -2.671   3.947
+ 1614TIP3    H254745   1.604  -2.661   3.834
+ 1614TIP3   OH254746   2.637  -2.595   3.416
+ 1614TIP3    H154747   2.692  -2.662   3.371
+ 1614TIP3    H254748   2.631  -2.633   3.506
+ 1614TIP3   OH254749   2.577  -2.657   3.694
+ 1614TIP3    H154750   2.483  -2.637   3.710
+ 1614TIP3    H254751   2.594  -2.720   3.766
+ 1614TIP3   OH254752   1.890  -4.213   4.297
+ 1614TIP3    H154753   1.818  -4.222   4.234
+ 1614TIP3    H254754   1.904  -4.116   4.303
+ 1614TIP3   OH254755   2.343  -3.993   3.343
+ 1614TIP3    H154756   2.288  -4.007   3.424
+ 1614TIP3    H254757   2.293  -4.050   3.281
+ 1615TIP3   OH254758   1.892  -3.705   3.884
+ 1615TIP3    H154759   1.796  -3.712   3.870
+ 1615TIP3    H254760   1.924  -3.727   3.795
+ 1615TIP3   OH254761   2.507  -3.705   4.017
+ 1615TIP3    H154762   2.522  -3.629   3.958
+ 1615TIP3    H254763   2.552  -3.779   3.969
+ 1615TIP3   OH254764   1.972  -3.942   3.239
+ 1615TIP3    H154765   1.931  -3.981   3.318
+ 1615TIP3    H254766   1.895  -3.920   3.183
+ 1615TIP3   OH254767   1.319  -3.947   3.941
+ 1615TIP3    H154768   1.370  -3.958   4.023
+ 1615TIP3    H254769   1.367  -3.998   3.875
+ 1615TIP3   OH254770   1.473  -3.911   3.514
+ 1615TIP3    H154771   1.524  -3.860   3.448
+ 1615TIP3    H254772   1.400  -3.847   3.532
+ 1615TIP3   OH254773   2.164  -3.941   3.971
+ 1615TIP3    H154774   2.071  -3.956   3.994
+ 1615TIP3    H254775   2.208  -3.973   4.053
+ 1615TIP3   OH254776   1.627  -3.825   3.850
+ 1615TIP3    H154777   1.541  -3.797   3.811
+ 1615TIP3    H254778   1.647  -3.908   3.803
+ 1615TIP3   OH254779   1.998  -3.796   3.622
+ 1615TIP3    H154780   2.089  -3.765   3.621
+ 1615TIP3    H254781   1.956  -3.742   3.552
+ 1615TIP3   OH254782   2.600  -4.070   4.267
+ 1615TIP3    H154783   2.571  -4.045   4.357
+ 1615TIP3    H254784   2.516  -4.078   4.219
+ 1615TIP3   OH254785   1.839  -3.677   3.401
+ 1615TIP3    H154786   1.776  -3.694   3.329
+ 1615TIP3    H254787   1.918  -3.654   3.348
+ 1616TIP3   OH254788   2.253  -3.706   4.190
+ 1616TIP3    H154789   2.322  -3.741   4.132
+ 1616TIP3    H254790   2.255  -3.769   4.264
+ 1616TIP3   OH254791   1.783  -4.067   3.790
+ 1616TIP3    H154792   1.734  -4.150   3.804
+ 1616TIP3    H254793   1.867  -4.099   3.754
+ 1616TIP3   OH254794   2.212  -3.252   3.595
+ 1616TIP3    H154795   2.131  -3.277   3.546
+ 1616TIP3    H254796   2.177  -3.225   3.682
+ 1616TIP3   OH254797   2.601  -3.895   3.372
+ 1616TIP3    H154798   2.505  -3.914   3.367
+ 1616TIP3    H254799   2.609  -3.829   3.442
+ 1616TIP3   OH254800   1.678  -3.299   4.174
+ 1616TIP3    H154801   1.737  -3.286   4.099
+ 1616TIP3    H254802   1.726  -3.368   4.223
+ 1616TIP3   OH254803   2.421  -3.072   3.479
+ 1616TIP3    H154804   2.388  -2.985   3.510
+ 1616TIP3    H254805   2.348  -3.131   3.505
+ 1616TIP3   OH254806   3.126  -3.743   3.544
+ 1616TIP3    H154807   3.073  -3.776   3.470
+ 1616TIP3    H254808   3.135  -3.648   3.523
+ 1616TIP3   OH254809   2.920  -2.899   3.535
+ 1616TIP3    H154810   2.934  -2.963   3.607
+ 1616TIP3    H254811   2.997  -2.911   3.477
+ 1616TIP3   OH254812   2.654  -3.336   4.236
+ 1616TIP3    H154813   2.571  -3.368   4.274
+ 1616TIP3    H254814   2.696  -3.417   4.202
+ 1616TIP3   OH254815   1.934  -2.944   3.868
+ 1616TIP3    H154816   1.971  -2.854   3.874
+ 1616TIP3    H254817   1.839  -2.924   3.867
+ 1617TIP3   OH254818   1.531  -3.464   3.353
+ 1617TIP3    H154819   1.586  -3.393   3.390
+ 1617TIP3    H254820   1.442  -3.436   3.383
+ 1617TIP3   OH254821   2.112  -3.172   3.851
+ 1617TIP3    H154822   2.080  -3.081   3.857
+ 1617TIP3    H254823   2.036  -3.221   3.886
+ 1617TIP3   OH254824   1.975  -2.651   3.813
+ 1617TIP3    H154825   1.879  -2.636   3.819
+ 1617TIP3    H254826   2.010  -2.564   3.838
+ 1617TIP3   OH254827   2.687  -3.061   3.331
+ 1617TIP3    H154828   2.732  -3.083   3.414
+ 1617TIP3    H254829   2.595  -3.057   3.363
+ 1617TIP3   OH254830   3.182  -2.599   3.359
+ 1617TIP3    H154831   3.252  -2.530   3.355
+ 1617TIP3    H254832   3.104  -2.541   3.362
+ 1617TIP3   OH254833   2.783  -3.196   3.567
+ 1617TIP3    H154834   2.763  -3.259   3.637
+ 1617TIP3    H254835   2.877  -3.178   3.581
+ 1617TIP3   OH254836   2.112  -2.936   3.196
+ 1617TIP3    H154837   2.139  -3.012   3.141
+ 1617TIP3    H254838   2.077  -2.981   3.275
+ 1617TIP3   OH254839   2.025  -3.005   3.478
+ 1617TIP3    H154840   2.038  -3.040   3.567
+ 1617TIP3    H254841   2.024  -2.909   3.496
+ 1617TIP3   OH254842   1.682  -3.240   3.507
+ 1617TIP3    H154843   1.607  -3.203   3.557
+ 1617TIP3    H254844   1.724  -3.158   3.474
+ 1617TIP3   OH254845   2.515  -4.055   3.635
+ 1617TIP3    H154846   2.539  -4.009   3.553
+ 1617TIP3    H254847   2.568  -4.011   3.703
+ 1618TIP3   OH254848   2.293  -2.825   3.528
+ 1618TIP3    H154849   2.210  -2.776   3.546
+ 1618TIP3    H254850   2.328  -2.774   3.454
+ 1618TIP3   OH254851   2.297  -3.792   3.745
+ 1618TIP3    H154852   2.374  -3.804   3.800
+ 1618TIP3    H254853   2.233  -3.845   3.796
+ 1618TIP3   OH254854   2.316  -4.173   3.829
+ 1618TIP3    H154855   2.296  -4.099   3.888
+ 1618TIP3    H254856   2.376  -4.132   3.763
+ 1618TIP3   OH254857   2.008  -2.726   3.524
+ 1618TIP3    H154858   2.003  -2.645   3.469
+ 1618TIP3    H254859   1.995  -2.689   3.614
+ 1618TIP3   OH254860   1.879  -4.053   3.480
+ 1618TIP3    H154861   1.880  -3.972   3.533
+ 1618TIP3    H254862   1.966  -4.092   3.501
+ 1618TIP3   OH254863   2.763  -3.576   4.124
+ 1618TIP3    H154864   2.680  -3.624   4.116
+ 1618TIP3    H254865   2.820  -3.646   4.166
+ 1618TIP3   OH254866   1.733  -2.967   3.388
+ 1618TIP3    H154867   1.799  -2.902   3.418
+ 1618TIP3    H254868   1.783  -3.011   3.317
+ 1618TIP3   OH254869   1.537  -3.744   3.293
+ 1618TIP3    H154870   1.549  -3.649   3.315
+ 1618TIP3    H254871   1.450  -3.743   3.251
+ 1618TIP3   OH254872   2.940  -2.481   4.380
+ 1618TIP3    H154873   2.908  -2.434   4.301
+ 1618TIP3    H254874   2.963  -2.565   4.339
+ 1618TIP3   OH254875   1.555  -4.242   4.179
+ 1618TIP3    H154876   1.583  -4.243   4.087
+ 1618TIP3    H254877   1.585  -4.331   4.206
+ 1619TIP3   OH254878   1.518  -2.892   3.797
+ 1619TIP3    H154879   1.443  -2.839   3.827
+ 1619TIP3    H254880   1.556  -2.836   3.729
+ 1619TIP3   OH254881   2.336  -2.767   3.245
+ 1619TIP3    H154882   2.260  -2.828   3.234
+ 1619TIP3    H254883   2.406  -2.818   3.203
+ 1619TIP3   OH254884   2.794  -2.781   3.252
+ 1619TIP3    H154885   2.829  -2.852   3.309
+ 1619TIP3    H254886   2.871  -2.761   3.195
+ 1619TIP3   OH254887   1.877  -3.189   3.229
+ 1619TIP3    H154888   1.894  -3.248   3.304
+ 1619TIP3    H254889   1.961  -3.195   3.181
+ 1619TIP3   OH254890   2.399  -3.058   3.188
+ 1619TIP3    H154891   2.393  -3.062   3.285
+ 1619TIP3    H254892   2.389  -3.153   3.166
+ 1619TIP3   OH254893   1.987  -3.386   3.458
+ 1619TIP3    H154894   1.921  -3.429   3.514
+ 1619TIP3    H254895   2.010  -3.457   3.395
+ 1619TIP3   OH254896   2.088  -3.588   3.288
+ 1619TIP3    H154897   2.072  -3.585   3.191
+ 1619TIP3    H254898   2.179  -3.560   3.293
+ 1619TIP3   OH254899   2.991  -3.353   3.181
+ 1619TIP3    H154900   3.062  -3.364   3.116
+ 1619TIP3    H254901   2.996  -3.256   3.197
+ 1619TIP3   OH254902   2.058  -2.465   3.395
+ 1619TIP3    H154903   2.153  -2.448   3.409
+ 1619TIP3    H254904   2.043  -2.414   3.315
+ 1619TIP3   OH254905   1.450  -3.020   3.351
+ 1619TIP3    H154906   1.545  -3.003   3.364
+ 1619TIP3    H254907   1.451  -3.098   3.292
+ 1620TIP3   OH254908   1.351  -2.503   3.822
+ 1620TIP3    H154909   1.277  -2.538   3.770
+ 1620TIP3    H254910   1.357  -2.569   3.894
+ 1620TIP3   OH254911   1.391  -2.703   4.018
+ 1620TIP3    H154912   1.360  -2.790   4.049
+ 1620TIP3    H254913   1.414  -2.664   4.105
+ 1620TIP3   OH254914   3.163  -2.598   4.268
+ 1620TIP3    H154915   3.146  -2.591   4.364
+ 1620TIP3    H254916   3.253  -2.563   4.265
+ 1620TIP3   OH254917   3.070  -3.199   3.614
+ 1620TIP3    H154918   3.159  -3.159   3.625
+ 1620TIP3    H254919   3.069  -3.259   3.691
+ 1620TIP3   OH254920   3.115  -3.401   3.813
+ 1620TIP3    H154921   3.052  -3.460   3.859
+ 1620TIP3    H254922   3.185  -3.389   3.880
+ 1620TIP3   OH254923   3.100  -3.173   4.325
+ 1620TIP3    H154924   3.171  -3.216   4.275
+ 1620TIP3    H254925   3.110  -3.080   4.299
+ 1620TIP3   OH254926   3.134  -3.456   3.465
+ 1620TIP3    H154927   3.084  -3.417   3.392
+ 1620TIP3    H254928   3.134  -3.383   3.529
+ 1620TIP3   OH254929   2.923  -3.678   3.246
+ 1620TIP3    H154930   3.007  -3.643   3.212
+ 1620TIP3    H254931   2.938  -3.775   3.243
+ 1620TIP3   OH254932   2.894  -3.593   3.879
+ 1620TIP3    H154933   2.898  -3.689   3.878
+ 1620TIP3    H254934   2.868  -3.575   3.971
+ 1620TIP3   OH254935   1.397  -3.410   4.259
+ 1620TIP3    H154936   1.431  -3.370   4.177
+ 1620TIP3    H254937   1.473  -3.402   4.319
+ 1621TIP3   OH254938   2.907  -3.961   3.223
+ 1621TIP3    H154939   2.971  -4.016   3.272
+ 1621TIP3    H254940   2.833  -4.022   3.210
+ 1621TIP3   OH254941   2.844  -3.824   3.687
+ 1621TIP3    H154942   2.881  -3.915   3.693
+ 1621TIP3    H254943   2.922  -3.774   3.658
+ 1621TIP3   OH254944   2.916  -3.773   4.219
+ 1621TIP3    H154945   3.012  -3.773   4.234
+ 1621TIP3    H254946   2.881  -3.786   4.309
+ 1621TIP3   OH254947   2.920  -4.086   3.722
+ 1621TIP3    H154948   2.951  -4.134   3.800
+ 1621TIP3    H254949   2.869  -4.155   3.676
+ 1621TIP3   OH254950   1.474  -3.981   4.188
+ 1621TIP3    H154951   1.486  -4.079   4.197
+ 1621TIP3    H254952   1.531  -3.951   4.259
+ 1621TIP3   OH254953   1.309  -3.698   4.302
+ 1621TIP3    H154954   1.351  -3.734   4.223
+ 1621TIP3    H254955   1.336  -3.604   4.297
+ 1621TIP3   OH254956   3.138  -4.054   3.377
+ 1621TIP3    H154957   3.153  -4.141   3.335
+ 1621TIP3    H254958   3.227  -4.017   3.382
+ 1621TIP3   OH254959   1.369  -4.103   3.691
+ 1621TIP3    H154960   1.274  -4.095   3.672
+ 1621TIP3    H254961   1.409  -4.034   3.634
+ 1621TIP3   OH254962   2.828  -2.573   3.897
+ 1621TIP3    H154963   2.884  -2.594   3.821
+ 1621TIP3    H254964   2.890  -2.531   3.958
+ 1621TIP3   OH254965   1.531  -2.662   4.262
+ 1621TIP3    H154966   1.565  -2.660   4.354
+ 1621TIP3    H254967   1.614  -2.681   4.214
+ 1622TIP3   OH254968   1.753  -2.752   4.115
+ 1622TIP3    H154969   1.740  -2.845   4.143
+ 1622TIP3    H254970   1.844  -2.734   4.147
+ 1622TIP3   OH254971   2.020  -2.703   4.213
+ 1622TIP3    H154972   2.052  -2.790   4.185
+ 1622TIP3    H254973   2.033  -2.709   4.309
+ 1622TIP3   OH254974   2.355  -4.108   4.125
+ 1622TIP3    H154975   2.293  -4.177   4.154
+ 1622TIP3    H254976   2.421  -4.161   4.076
+ 1622TIP3   OH254977   2.889  -4.346   4.154
+ 1622TIP3    H154978   2.941  -4.281   4.107
+ 1622TIP3    H254979   2.800  -4.311   4.159
+ 1622TIP3   OH254980   3.075  -4.218   3.952
+ 1622TIP3    H154981   3.139  -4.246   3.886
+ 1622TIP3    H254982   3.103  -4.126   3.970
+ 1622TIP3   OH254983   1.593  -4.284   3.863
+ 1622TIP3    H154984   1.501  -4.305   3.845
+ 1622TIP3    H254985   1.627  -4.369   3.895
+ 1622TIP3   OH254986   1.454  -4.290   3.488
+ 1622TIP3    H154987   1.497  -4.241   3.416
+ 1622TIP3    H254988   1.413  -4.218   3.539
+ 1622TIP3   OH254989   2.043  -4.238   3.882
+ 1622TIP3    H154990   2.140  -4.234   3.873
+ 1622TIP3    H254991   2.033  -4.287   3.965
+ 1622TIP3   OH254992   2.574  -4.268   4.011
+ 1622TIP3    H154993   2.638  -4.276   3.940
+ 1622TIP3    H254994   2.595  -4.345   4.068
+ 1622TIP3   OH254995   2.707  -4.271   3.620
+ 1622TIP3    H154996   2.626  -4.222   3.600
+ 1622TIP3    H254997   2.675  -4.362   3.629
+ 1623TIP3   OH254998   1.496  -2.697   3.592
+ 1623TIP3    H154999   1.431  -2.707   3.521
+ 1623TIP3    H255000   1.493  -2.601   3.603
+ 1623TIP3   OH255001   1.643  -4.125   3.329
+ 1623TIP3    H155002   1.714  -4.161   3.272
+ 1623TIP3    H255003   1.695  -4.072   3.392
+ 1623TIP3   OH255004   2.186  -4.050   3.566
+ 1623TIP3    H155005   2.184  -4.141   3.604
+ 1623TIP3    H255006   2.147  -3.996   3.635
+ 1623TIP3   OH255007   2.362  -2.513   3.405
+ 1623TIP3    H155008   2.459  -2.511   3.399
+ 1623TIP3    H255009   2.342  -2.579   3.336
+ 1623TIP3   OH255010   3.020  -2.611   3.651
+ 1623TIP3    H155011   2.988  -2.691   3.606
+ 1623TIP3    H255012   3.004  -2.543   3.582
+ 1623TIP3   OH255013   1.637  -2.604   3.273
+ 1623TIP3    H155014   1.614  -2.573   3.362
+ 1623TIP3    H255015   1.717  -2.655   3.288
+ 1623TIP3   OH255016   4.266  -3.443   4.211
+ 1623TIP3    H155017   4.253  -3.490   4.295
+ 1623TIP3    H255018   4.223  -3.501   4.147
+ 1623TIP3   OH255019   3.584  -3.007   4.243
+ 1623TIP3    H155020   3.558  -3.099   4.223
+ 1623TIP3    H255021   3.680  -3.021   4.253
+ 1623TIP3   OH255022   3.278  -3.665   3.779
+ 1623TIP3    H155023   3.245  -3.574   3.790
+ 1623TIP3    H255024   3.205  -3.707   3.731
+ 1623TIP3   OH255025   3.352  -3.426   3.966
+ 1623TIP3    H155026   3.376  -3.496   4.030
+ 1623TIP3    H255027   3.439  -3.403   3.931
+ 1624TIP3   OH255028   4.063  -3.227   4.282
+ 1624TIP3    H155029   4.115  -3.272   4.214
+ 1624TIP3    H255030   4.136  -3.179   4.327
+ 1624TIP3   OH255031   3.734  -3.941   4.041
+ 1624TIP3    H155032   3.754  -3.856   3.999
+ 1624TIP3    H255033   3.702  -3.991   3.963
+ 1624TIP3   OH255034   3.433  -3.674   4.100
+ 1624TIP3    H155035   3.477  -3.737   4.157
+ 1624TIP3    H255036   3.437  -3.719   4.014
+ 1624TIP3   OH255037   3.944  -3.533   4.054
+ 1624TIP3    H155038   4.016  -3.593   4.081
+ 1624TIP3    H255039   3.895  -3.590   3.993
+ 1624TIP3   OH255040   3.657  -3.852   4.297
+ 1624TIP3    H155041   3.650  -3.757   4.281
+ 1624TIP3    H255042   3.659  -3.891   4.207
+ 1624TIP3   OH255043   3.341  -3.112   3.628
+ 1624TIP3    H155044   3.330  -3.062   3.544
+ 1624TIP3    H255045   3.362  -3.041   3.693
+ 1624TIP3   OH255046   4.022   4.378   4.162
+ 1624TIP3    H155047   4.041   4.288   4.193
+ 1624TIP3    H255048   3.959   4.411   4.229
+ 1624TIP3   OH255049   4.259  -3.431   3.630
+ 1624TIP3    H155050   4.197  -3.357   3.614
+ 1624TIP3    H255051   4.333  -3.408   3.575
+ 1624TIP3   OH255052   4.288  -3.581   3.348
+ 1624TIP3    H155053   4.365  -3.584   3.407
+ 1624TIP3    H255054   4.298  -3.660   3.295
+ 1624TIP3   OH255055   3.757  -3.337   3.928
+ 1624TIP3    H155056   3.725  -3.380   3.847
+ 1624TIP3    H255057   3.820  -3.401   3.963
+ 1625TIP3   OH255058   3.856  -3.025   4.157
+ 1625TIP3    H155059   3.889  -3.060   4.074
+ 1625TIP3    H255060   3.936  -3.015   4.211
+ 1625TIP3   OH255061   3.788  -3.472   4.280
+ 1625TIP3    H155062   3.849  -3.461   4.205
+ 1625TIP3    H255063   3.812  -3.399   4.339
+ 1625TIP3   OH255064   4.253  -2.813   3.845
+ 1625TIP3    H155065   4.300  -2.764   3.914
+ 1625TIP3    H255066   4.201  -2.743   3.803
+ 1625TIP3   OH255067   3.651  -3.463   3.681
+ 1625TIP3    H155068   3.632  -3.386   3.624
+ 1625TIP3    H255069   3.584  -3.526   3.652
+ 1625TIP3   OH255070   3.269  -2.920   4.237
+ 1625TIP3    H155071   3.365  -2.920   4.246
+ 1625TIP3    H255072   3.245  -2.836   4.280
+ 1625TIP3   OH255073   4.188  -2.539   3.699
+ 1625TIP3    H155074   4.203  -2.532   3.603
+ 1625TIP3    H255075   4.205  -2.450   3.731
+ 1625TIP3   OH255076   3.574  -2.628   3.860
+ 1625TIP3    H155077   3.590  -2.671   3.947
+ 1625TIP3    H255078   3.485  -2.661   3.840
+ 1625TIP3   OH255079   3.767  -4.210   4.304
+ 1625TIP3    H155080   3.705  -4.218   4.231
+ 1625TIP3    H255081   3.792  -4.116   4.305
+ 1625TIP3   OH255082   4.226  -3.990   3.349
+ 1625TIP3    H155083   4.160  -4.003   3.419
+ 1625TIP3    H255084   4.191  -4.052   3.282
+ 1625TIP3   OH255085   3.777  -3.707   3.885
+ 1625TIP3    H155086   3.681  -3.713   3.868
+ 1625TIP3    H255087   3.812  -3.725   3.795
+ 1626TIP3   OH255088   4.274  -3.668   3.813
+ 1626TIP3    H155089   4.270  -3.578   3.777
+ 1626TIP3    H255090   4.329  -3.715   3.751
+ 1626TIP3   OH255091   3.860  -3.935   3.238
+ 1626TIP3    H155092   3.821  -3.978   3.316
+ 1626TIP3    H255093   3.785  -3.926   3.178
+ 1626TIP3   OH255094   3.197  -3.958   3.945
+ 1626TIP3    H155095   3.254  -3.955   4.023
+ 1626TIP3    H255096   3.255  -3.992   3.876
+ 1626TIP3   OH255097   3.357  -3.913   3.515
+ 1626TIP3    H155098   3.411  -3.863   3.450
+ 1626TIP3    H255099   3.289  -3.846   3.535
+ 1626TIP3   OH255100   4.044  -3.961   3.982
+ 1626TIP3    H155101   3.952  -3.963   4.013
+ 1626TIP3    H255102   4.093  -3.968   4.066
+ 1626TIP3   OH255103   3.507  -3.827   3.854
+ 1626TIP3    H155104   3.427  -3.797   3.808
+ 1626TIP3    H255105   3.535  -3.907   3.805
+ 1626TIP3   OH255106   3.867  -3.790   3.622
+ 1626TIP3    H155107   3.964  -3.788   3.626
+ 1626TIP3    H255108   3.845  -3.731   3.548
+ 1626TIP3   OH255109   3.721  -3.669   3.396
+ 1626TIP3    H155110   3.663  -3.696   3.324
+ 1626TIP3    H255111   3.804  -3.652   3.348
+ 1626TIP3   OH255112   4.131  -3.713   4.152
+ 1626TIP3    H155113   4.196  -3.757   4.096
+ 1626TIP3    H255114   4.150  -3.753   4.239
+ 1626TIP3   OH255115   3.668  -4.066   3.792
+ 1626TIP3    H155116   3.624  -4.152   3.803
+ 1626TIP3    H255117   3.752  -4.091   3.750
+ 1627TIP3   OH255118   4.073  -3.224   3.586
+ 1627TIP3    H155119   3.994  -3.269   3.549
+ 1627TIP3    H255120   4.050  -3.215   3.681
+ 1627TIP3   OH255121   3.560  -3.307   4.170
+ 1627TIP3    H155122   3.625  -3.287   4.100
+ 1627TIP3    H255123   3.609  -3.370   4.224
+ 1627TIP3   OH255124   4.287  -3.081   3.482
+ 1627TIP3    H155125   4.259  -2.992   3.511
+ 1627TIP3    H255126   4.212  -3.135   3.514
+ 1627TIP3   OH255127   3.816  -2.944   3.870
+ 1627TIP3    H155128   3.857  -2.856   3.875
+ 1627TIP3    H255129   3.723  -2.921   3.866
+ 1627TIP3   OH255130   3.417  -3.463   3.352
+ 1627TIP3    H155131   3.479  -3.397   3.390
+ 1627TIP3    H255132   3.332  -3.426   3.382
+ 1627TIP3   OH255133   3.994  -3.174   3.856
+ 1627TIP3    H155134   3.966  -3.081   3.859
+ 1627TIP3    H255135   3.916  -3.220   3.892
+ 1627TIP3   OH255136   3.861  -2.650   3.812
+ 1627TIP3    H155137   3.765  -2.635   3.820
+ 1627TIP3    H255138   3.897  -2.563   3.838
+ 1627TIP3   OH255139   3.995  -2.933   3.195
+ 1627TIP3    H155140   4.028  -3.009   3.144
+ 1627TIP3    H255141   3.958  -2.977   3.273
+ 1627TIP3   OH255142   3.887  -2.990   3.468
+ 1627TIP3    H155143   3.934  -3.038   3.538
+ 1627TIP3    H255144   3.897  -2.898   3.498
+ 1627TIP3   OH255145   3.565  -3.242   3.505
+ 1627TIP3    H155146   3.493  -3.201   3.557
+ 1627TIP3    H255147   3.612  -3.162   3.475
+ 1628TIP3   OH255148   4.168  -2.825   3.520
+ 1628TIP3    H155149   4.089  -2.774   3.545
+ 1628TIP3    H255150   4.210  -2.766   3.456
+ 1628TIP3   OH255151   4.123  -3.874   3.731
+ 1628TIP3    H155152   4.180  -3.799   3.759
+ 1628TIP3    H255153   4.089  -3.899   3.819
+ 1628TIP3   OH255154   4.194  -4.169   3.848
+ 1628TIP3    H155155   4.175  -4.084   3.894
+ 1628TIP3    H255156   4.271  -4.146   3.793
+ 1628TIP3   OH255157   3.893  -2.718   3.527
+ 1628TIP3    H155158   3.890  -2.636   3.473
+ 1628TIP3    H255159   3.881  -2.683   3.618
+ 1628TIP3   OH255160   3.766  -4.051   3.481
+ 1628TIP3    H155161   3.768  -3.967   3.531
+ 1628TIP3    H255162   3.855  -4.085   3.500
+ 1628TIP3   OH255163   3.610  -2.962   3.382
+ 1628TIP3    H155164   3.681  -2.909   3.422
+ 1628TIP3    H255165   3.662  -3.011   3.316
+ 1628TIP3   OH255166   3.422  -3.747   3.301
+ 1628TIP3    H155167   3.438  -3.652   3.318
+ 1628TIP3    H255168   3.347  -3.745   3.241
+ 1628TIP3   OH255169   3.438  -4.245   4.178
+ 1628TIP3    H155170   3.470  -4.243   4.087
+ 1628TIP3    H255171   3.472  -4.332   4.206
+ 1628TIP3   OH255172   3.400  -2.892   3.792
+ 1628TIP3    H155173   3.327  -2.835   3.820
+ 1628TIP3    H255174   3.445  -2.836   3.727
+ 1628TIP3   OH255175   4.231  -2.768   3.224
+ 1628TIP3    H155176   4.147  -2.819   3.227
+ 1628TIP3    H255177   4.293  -2.842   3.211
+ 1629TIP3   OH255178   3.762  -3.194   3.227
+ 1629TIP3    H155179   3.781  -3.251   3.303
+ 1629TIP3    H255180   3.848  -3.194   3.181
+ 1629TIP3   OH255181   4.263  -3.061   3.183
+ 1629TIP3    H155182   4.276  -3.050   3.279
+ 1629TIP3    H255183   4.244  -3.156   3.177
+ 1629TIP3   OH255184   3.869  -3.386   3.458
+ 1629TIP3    H155185   3.810  -3.438   3.514
+ 1629TIP3    H255186   3.903  -3.454   3.397
+ 1629TIP3   OH255187   3.978  -3.585   3.290
+ 1629TIP3    H155188   3.970  -3.578   3.193
+ 1629TIP3    H255189   4.074  -3.574   3.302
+ 1629TIP3   OH255190   3.957  -2.463   3.400
+ 1629TIP3    H155191   4.053  -2.453   3.404
+ 1629TIP3    H255192   3.938  -2.414   3.319
+ 1629TIP3   OH255193   3.333  -3.024   3.359
+ 1629TIP3    H155194   3.428  -2.999   3.363
+ 1629TIP3    H255195   3.334  -3.093   3.290
+ 1629TIP3   OH255196   3.236  -2.501   3.825
+ 1629TIP3    H155197   3.167  -2.538   3.767
+ 1629TIP3    H255198   3.243  -2.570   3.894
+ 1629TIP3   OH255199   3.278  -2.705   4.016
+ 1629TIP3    H155200   3.246  -2.791   4.048
+ 1629TIP3    H255201   3.299  -2.666   4.103
+ 1629TIP3   OH255202   3.283  -3.410   4.260
+ 1629TIP3    H155203   3.319  -3.369   4.180
+ 1629TIP3    H255204   3.358  -3.405   4.321
+ 1629TIP3   OH255205   3.357  -3.983   4.188
+ 1629TIP3    H155206   3.372  -4.080   4.197
+ 1629TIP3    H255207   3.418  -3.949   4.255
+ 1630TIP3   OH255208   3.193  -3.698   4.301
+ 1630TIP3    H155209   3.241  -3.734   4.225
+ 1630TIP3    H255210   3.222  -3.605   4.298
+ 1630TIP3   OH255211   3.255  -4.105   3.688
+ 1630TIP3    H155212   3.160  -4.089   3.674
+ 1630TIP3    H255213   3.297  -4.034   3.634
+ 1630TIP3   OH255214   3.427  -2.665   4.259
+ 1630TIP3    H155215   3.456  -2.662   4.353
+ 1630TIP3    H255216   3.513  -2.684   4.216
+ 1630TIP3   OH255217   3.643  -2.754   4.111
+ 1630TIP3    H155218   3.627  -2.845   4.141
+ 1630TIP3    H255219   3.732  -2.735   4.147
+ 1630TIP3   OH255220   3.907  -2.701   4.213
+ 1630TIP3    H155221   3.940  -2.787   4.185
+ 1630TIP3    H255222   3.918  -2.707   4.309
+ 1630TIP3   OH255223   4.253  -4.129   4.132
+ 1630TIP3    H155224   4.184  -4.192   4.157
+ 1630TIP3    H255225   4.301  -4.178   4.065
+ 1630TIP3   OH255226   3.477  -4.284   3.864
+ 1630TIP3    H155227   3.386  -4.311   3.845
+ 1630TIP3    H255228   3.517  -4.366   3.895
+ 1630TIP3   OH255229   3.334  -4.290   3.486
+ 1630TIP3    H155230   3.383  -4.243   3.416
+ 1630TIP3    H255231   3.303  -4.216   3.541
+ 1630TIP3   OH255232   3.934  -4.256   3.874
+ 1630TIP3    H155233   4.027  -4.226   3.872
+ 1630TIP3    H255234   3.928  -4.287   3.966
+ 1630TIP3   OH255235   3.357  -2.696   3.577
+ 1630TIP3    H155236   3.297  -2.696   3.501
+ 1630TIP3    H255237   3.365  -2.601   3.592
+ 1631TIP3   OH255238   3.528  -4.126   3.332
+ 1631TIP3    H155239   3.598  -4.162   3.274
+ 1631TIP3    H255240   3.582  -4.074   3.394
+ 1631TIP3   OH255241   4.050  -4.068   3.556
+ 1631TIP3    H155242   4.065  -4.151   3.604
+ 1631TIP3    H255243   4.065  -4.000   3.625
+ 1631TIP3   OH255244   4.264  -2.534   3.404
+ 1631TIP3    H155245   4.351  -2.494   3.385
+ 1631TIP3    H255246   4.249  -2.590   3.326
+ 1631TIP3   OH255247   3.525  -2.604   3.279
+ 1631TIP3    H155248   3.504  -2.573   3.368
+ 1631TIP3    H255249   3.606  -2.655   3.292
+ 1631TIP3   OH255250  -3.168  -1.484   3.922
+ 1631TIP3    H155251  -3.161  -1.387   3.930
+ 1631TIP3    H255252  -3.237  -1.492   3.856
+ 1631TIP3   OH255253  -3.268  -1.545   4.247
+ 1631TIP3    H155254  -3.278  -1.620   4.308
+ 1631TIP3    H255255  -3.283  -1.586   4.161
+ 1631TIP3   OH255256  -2.915  -1.270   4.039
+ 1631TIP3    H155257  -2.954  -1.335   4.099
+ 1631TIP3    H255258  -2.879  -1.209   4.107
+ 1631TIP3   OH255259  -3.960  -1.124   4.243
+ 1631TIP3    H155260  -3.978  -1.218   4.226
+ 1631TIP3    H255261  -3.863  -1.132   4.254
+ 1631TIP3   OH255262  -4.259  -1.777   3.711
+ 1631TIP3    H155263  -4.293  -1.702   3.764
+ 1631TIP3    H255264  -4.332  -1.837   3.725
+ 1631TIP3   OH255265  -4.172  -1.505   4.009
+ 1631TIP3    H155266  -4.205  -1.595   4.026
+ 1631TIP3    H255267  -4.139  -1.515   3.919
+ 1632TIP3   OH255268  -3.209  -0.727   4.113
+ 1632TIP3    H155269  -3.146  -0.795   4.084
+ 1632TIP3    H255270  -3.236  -0.758   4.201
+ 1632TIP3   OH255271  -3.467  -1.317   4.280
+ 1632TIP3    H155272  -3.422  -1.380   4.222
+ 1632TIP3    H255273  -3.386  -1.278   4.322
+ 1632TIP3   OH255274  -3.120  -1.851   4.325
+ 1632TIP3    H155275  -3.071  -1.934   4.334
+ 1632TIP3    H255276  -3.110  -1.831   4.230
+ 1632TIP3   OH255277  -3.799  -2.057   4.039
+ 1632TIP3    H155278  -3.790  -1.969   3.998
+ 1632TIP3    H255279  -3.840  -2.106   3.965
+ 1632TIP3   OH255280  -3.024  -2.031   3.873
+ 1632TIP3    H155281  -2.967  -2.075   3.940
+ 1632TIP3    H255282  -2.958  -1.999   3.810
+ 1632TIP3   OH255283  -4.113  -1.791   4.104
+ 1632TIP3    H155284  -4.077  -1.859   4.160
+ 1632TIP3    H255285  -4.113  -1.835   4.018
+ 1632TIP3   OH255286  -3.600  -1.645   4.054
+ 1632TIP3    H155287  -3.528  -1.703   4.083
+ 1632TIP3    H255288  -3.647  -1.704   3.992
+ 1632TIP3   OH255289  -3.172  -1.198   3.793
+ 1632TIP3    H155290  -3.200  -1.216   3.703
+ 1632TIP3    H255291  -3.215  -1.113   3.811
+ 1632TIP3   OH255292  -2.878  -2.085   4.109
+ 1632TIP3    H155293  -2.909  -2.148   4.176
+ 1632TIP3    H255294  -2.804  -2.044   4.158
+ 1632TIP3   OH255295  -3.872  -1.956   4.296
+ 1632TIP3    H155296  -3.904  -1.867   4.280
+ 1632TIP3    H255297  -3.892  -2.004   4.214
+ 1633TIP3   OH255298  -4.183  -1.233   3.629
+ 1633TIP3    H155299  -4.264  -1.218   3.575
+ 1633TIP3    H255300  -4.195  -1.169   3.701
+ 1633TIP3   OH255301  -2.842  -1.135   4.257
+ 1633TIP3    H155302  -2.905  -1.146   4.331
+ 1633TIP3    H255303  -2.774  -1.081   4.298
+ 1633TIP3   OH255304  -3.507  -2.418   4.184
+ 1633TIP3    H155305  -3.516  -2.514   4.182
+ 1633TIP3    H255306  -3.593  -2.390   4.221
+ 1633TIP3   OH255307  -3.019  -0.887   3.965
+ 1633TIP3    H155308  -2.972  -0.967   3.934
+ 1633TIP3    H255309  -2.953  -0.818   3.945
+ 1633TIP3   OH255310  -2.874  -1.103   3.821
+ 1633TIP3    H155311  -2.928  -1.148   3.756
+ 1633TIP3    H255312  -2.880  -1.165   3.897
+ 1633TIP3   OH255313  -3.296  -1.530   3.642
+ 1633TIP3    H155314  -3.362  -1.468   3.605
+ 1633TIP3    H255315  -3.224  -1.523   3.577
+ 1633TIP3   OH255316  -3.266  -1.714   3.349
+ 1633TIP3    H155317  -3.197  -1.679   3.408
+ 1633TIP3    H255318  -3.212  -1.766   3.288
+ 1633TIP3   OH255319  -2.947  -1.529   3.750
+ 1633TIP3    H155320  -3.013  -1.503   3.818
+ 1633TIP3    H255321  -2.888  -1.586   3.803
+ 1633TIP3   OH255322  -3.781  -1.446   3.925
+ 1633TIP3    H155323  -3.820  -1.490   3.848
+ 1633TIP3    H255324  -3.725  -1.515   3.963
+ 1633TIP3   OH255325  -3.684  -1.135   4.159
+ 1633TIP3    H155326  -3.662  -1.170   4.071
+ 1633TIP3    H255327  -3.599  -1.138   4.206
+ 1634TIP3   OH255328  -3.765  -1.578   4.273
+ 1634TIP3    H155329  -3.699  -1.576   4.201
+ 1634TIP3    H255330  -3.723  -1.525   4.342
+ 1634TIP3   OH255331  -3.049  -1.584   3.493
+ 1634TIP3    H155332  -3.003  -1.556   3.575
+ 1634TIP3    H255333  -3.000  -1.533   3.425
+ 1634TIP3   OH255334  -3.303  -0.925   3.853
+ 1634TIP3    H155335  -3.257  -0.891   3.930
+ 1634TIP3    H255336  -3.353  -0.848   3.822
+ 1634TIP3   OH255337  -2.709  -2.410   3.451
+ 1634TIP3    H155338  -2.794  -2.392   3.496
+ 1634TIP3    H255339  -2.672  -2.321   3.441
+ 1634TIP3   OH255340  -3.891  -1.577   3.678
+ 1634TIP3    H155341  -3.915  -1.500   3.624
+ 1634TIP3    H255342  -3.959  -1.641   3.655
+ 1634TIP3   OH255343  -2.566  -0.997   3.296
+ 1634TIP3    H155344  -2.551  -0.903   3.322
+ 1634TIP3    H255345  -2.480  -1.037   3.317
+ 1634TIP3   OH255346  -4.274  -1.061   4.241
+ 1634TIP3    H155347  -4.180  -1.038   4.241
+ 1634TIP3    H255348  -4.311  -0.982   4.284
+ 1634TIP3   OH255349  -3.348  -0.653   3.700
+ 1634TIP3    H155350  -3.349  -0.642   3.603
+ 1634TIP3    H255351  -3.345  -0.561   3.732
+ 1634TIP3   OH255352  -3.976  -0.739   3.863
+ 1634TIP3    H155353  -3.954  -0.782   3.948
+ 1634TIP3    H255354  -4.055  -0.790   3.839
+ 1634TIP3   OH255355  -3.019  -0.710   3.418
+ 1634TIP3    H155356  -2.962  -0.776   3.374
+ 1634TIP3    H255357  -3.025  -0.748   3.508
+ 1635TIP3   OH255358  -3.079  -0.767   3.698
+ 1635TIP3    H155359  -3.175  -0.752   3.712
+ 1635TIP3    H255360  -3.065  -0.840   3.761
+ 1635TIP3   OH255361  -3.752  -2.329   4.294
+ 1635TIP3    H155362  -3.836  -2.346   4.246
+ 1635TIP3    H255363  -3.753  -2.233   4.304
+ 1635TIP3   OH255364  -2.894  -1.477   3.295
+ 1635TIP3    H155365  -2.914  -1.494   3.201
+ 1635TIP3    H255366  -2.800  -1.452   3.289
+ 1635TIP3   OH255367  -3.330  -2.104   3.340
+ 1635TIP3    H155368  -3.380  -2.103   3.423
+ 1635TIP3    H255369  -3.376  -2.173   3.291
+ 1635TIP3   OH255370  -3.767  -1.821   3.884
+ 1635TIP3    H155371  -3.863  -1.826   3.868
+ 1635TIP3    H255372  -3.734  -1.842   3.794
+ 1635TIP3   OH255373  -3.207  -1.765   3.763
+ 1635TIP3    H155374  -3.247  -1.683   3.727
+ 1635TIP3    H255375  -3.138  -1.781   3.697
+ 1635TIP3   OH255376  -3.128  -1.824   4.044
+ 1635TIP3    H155377  -3.156  -1.769   3.968
+ 1635TIP3    H255378  -3.104  -1.906   3.996
+ 1635TIP3   OH255379  -3.684  -2.059   3.238
+ 1635TIP3    H155380  -3.726  -2.092   3.319
+ 1635TIP3    H255381  -3.760  -2.035   3.183
+ 1635TIP3   OH255382  -4.326  -2.049   3.943
+ 1635TIP3    H155383  -4.301  -2.071   4.034
+ 1635TIP3    H255384  -4.280  -2.116   3.893
+ 1635TIP3   OH255385  -4.203  -2.017   3.522
+ 1635TIP3    H155386  -4.151  -1.979   3.448
+ 1635TIP3    H255387  -4.277  -1.955   3.526
+ 1636TIP3   OH255388  -3.499  -2.064   3.982
+ 1636TIP3    H155389  -3.593  -2.067   4.008
+ 1636TIP3    H255390  -3.455  -2.082   4.066
+ 1636TIP3   OH255391  -4.041  -1.933   3.848
+ 1636TIP3    H155392  -4.121  -1.907   3.798
+ 1636TIP3    H255393  -4.015  -2.016   3.805
+ 1636TIP3   OH255394  -3.669  -1.912   3.617
+ 1636TIP3    H155395  -3.574  -1.896   3.626
+ 1636TIP3    H255396  -3.697  -1.847   3.549
+ 1636TIP3   OH255397  -3.057  -2.196   4.285
+ 1636TIP3    H155398  -3.091  -2.163   4.370
+ 1636TIP3    H255399  -3.134  -2.188   4.225
+ 1636TIP3   OH255400  -3.822  -1.784   3.399
+ 1636TIP3    H155401  -3.885  -1.809   3.330
+ 1636TIP3    H255402  -3.743  -1.763   3.347
+ 1636TIP3   OH255403  -3.401  -1.822   4.188
+ 1636TIP3    H155404  -3.326  -1.853   4.134
+ 1636TIP3    H255405  -3.397  -1.882   4.263
+ 1636TIP3   OH255406  -3.871  -2.172   3.792
+ 1636TIP3    H155407  -3.918  -2.256   3.799
+ 1636TIP3    H255408  -3.790  -2.197   3.745
+ 1636TIP3   OH255409  -3.478  -1.324   3.583
+ 1636TIP3    H155410  -3.554  -1.373   3.546
+ 1636TIP3    H255411  -3.498  -1.321   3.679
+ 1636TIP3   OH255412  -3.063  -2.043   3.362
+ 1636TIP3    H155413  -3.161  -2.042   3.354
+ 1636TIP3    H255414  -3.045  -1.967   3.421
+ 1636TIP3   OH255415  -2.994  -1.856   3.568
+ 1636TIP3    H155416  -2.901  -1.880   3.583
+ 1636TIP3    H255417  -2.986  -1.768   3.525
+ 1637TIP3   OH255418  -3.975  -1.395   4.183
+ 1637TIP3    H155419  -3.926  -1.400   4.100
+ 1637TIP3    H255420  -3.948  -1.479   4.224
+ 1637TIP3   OH255421  -3.238  -1.188   3.477
+ 1637TIP3    H155422  -3.264  -1.101   3.513
+ 1637TIP3    H255423  -3.315  -1.242   3.503
+ 1637TIP3   OH255424  -2.535  -1.864   3.537
+ 1637TIP3    H155425  -2.591  -1.879   3.459
+ 1637TIP3    H255426  -2.522  -1.767   3.527
+ 1637TIP3   OH255427  -2.717  -0.998   3.546
+ 1637TIP3    H155428  -2.737  -1.074   3.603
+ 1637TIP3    H255429  -2.659  -1.036   3.479
+ 1637TIP3   OH255430  -3.002  -1.448   4.247
+ 1637TIP3    H155431  -3.092  -1.479   4.268
+ 1637TIP3    H255432  -2.965  -1.526   4.202
+ 1637TIP3   OH255433  -3.725  -1.058   3.873
+ 1637TIP3    H155434  -3.686  -0.969   3.874
+ 1637TIP3    H255435  -3.819  -1.037   3.863
+ 1637TIP3   OH255436  -4.151  -1.560   3.360
+ 1637TIP3    H155437  -4.083  -1.500   3.397
+ 1637TIP3    H255438  -4.231  -1.515   3.390
+ 1637TIP3   OH255439  -3.544  -1.287   3.862
+ 1637TIP3    H155440  -3.577  -1.196   3.862
+ 1637TIP3    H255441  -3.622  -1.336   3.893
+ 1637TIP3   OH255442  -3.681  -0.765   3.812
+ 1637TIP3    H155443  -3.777  -0.752   3.819
+ 1637TIP3    H255444  -3.647  -0.677   3.839
+ 1637TIP3   OH255445  -2.967  -1.156   3.336
+ 1637TIP3    H155446  -2.927  -1.201   3.412
+ 1637TIP3    H255447  -3.061  -1.169   3.359
+ 1638TIP3   OH255448  -2.495  -0.730   3.390
+ 1638TIP3    H155449  -2.425  -0.666   3.369
+ 1638TIP3    H255450  -2.572  -0.670   3.390
+ 1638TIP3   OH255451  -2.872  -1.295   3.574
+ 1638TIP3    H155452  -2.899  -1.366   3.635
+ 1638TIP3    H255453  -2.775  -1.296   3.583
+ 1638TIP3   OH255454  -3.540  -1.047   3.201
+ 1638TIP3    H155455  -3.521  -1.121   3.139
+ 1638TIP3    H255456  -3.588  -1.093   3.272
+ 1638TIP3   OH255457  -3.661  -1.100   3.467
+ 1638TIP3    H155458  -3.611  -1.151   3.532
+ 1638TIP3    H255459  -3.648  -1.008   3.497
+ 1638TIP3   OH255460  -3.984  -1.359   3.503
+ 1638TIP3    H155461  -4.056  -1.317   3.556
+ 1638TIP3    H255462  -3.938  -1.277   3.474
+ 1638TIP3   OH255463  -3.143  -2.170   3.630
+ 1638TIP3    H155464  -3.124  -2.115   3.552
+ 1638TIP3    H255465  -3.101  -2.118   3.701
+ 1638TIP3   OH255466  -3.364  -0.936   3.529
+ 1638TIP3    H155467  -3.447  -0.889   3.545
+ 1638TIP3    H255468  -3.331  -0.892   3.449
+ 1638TIP3   OH255469  -3.402  -1.967   3.726
+ 1638TIP3    H155470  -3.328  -1.906   3.742
+ 1638TIP3    H255471  -3.435  -1.984   3.816
+ 1638TIP3   OH255472  -3.349  -2.269   3.820
+ 1638TIP3    H155473  -3.366  -2.201   3.888
+ 1638TIP3    H255474  -3.274  -2.228   3.772
+ 1638TIP3   OH255475  -3.645  -0.829   3.526
+ 1638TIP3    H155476  -3.651  -0.747   3.472
+ 1638TIP3    H255477  -3.660  -0.796   3.616
+ 1639TIP3   OH255478  -3.772  -2.164   3.481
+ 1639TIP3    H155479  -3.775  -2.082   3.533
+ 1639TIP3    H255480  -3.686  -2.200   3.510
+ 1639TIP3   OH255481  -2.897  -1.689   4.146
+ 1639TIP3    H155482  -2.974  -1.737   4.110
+ 1639TIP3    H255483  -2.839  -1.763   4.175
+ 1639TIP3   OH255484  -3.932  -1.075   3.385
+ 1639TIP3    H155485  -3.855  -1.030   3.423
+ 1639TIP3    H255486  -3.888  -1.126   3.316
+ 1639TIP3   OH255487  -4.115  -1.858   3.302
+ 1639TIP3    H155488  -4.110  -1.762   3.316
+ 1639TIP3    H255489  -4.194  -1.869   3.247
+ 1639TIP3   OH255490  -2.764  -0.706   4.317
+ 1639TIP3    H155491  -2.828  -0.720   4.246
+ 1639TIP3    H255492  -2.681  -0.741   4.284
+ 1639TIP3   OH255493  -4.019  -2.374   4.167
+ 1639TIP3    H155494  -4.058  -2.362   4.078
+ 1639TIP3    H255495  -4.076  -2.443   4.205
+ 1639TIP3   OH255496  -4.138  -0.992   3.803
+ 1639TIP3    H155497  -4.230  -0.961   3.801
+ 1639TIP3    H255498  -4.105  -0.959   3.718
+ 1639TIP3   OH255499  -3.321  -0.882   3.247
+ 1639TIP3    H155500  -3.400  -0.940   3.235
+ 1639TIP3    H255501  -3.253  -0.938   3.206
+ 1639TIP3   OH255502  -2.859  -0.890   3.255
+ 1639TIP3    H155503  -2.845  -0.970   3.307
+ 1639TIP3    H255504  -2.779  -0.887   3.199
+ 1639TIP3   OH255505  -3.781  -1.304   3.230
+ 1639TIP3    H155506  -3.760  -1.366   3.302
+ 1639TIP3    H255507  -3.698  -1.307   3.178
+ 1640TIP3   OH255508  -3.250  -1.175   3.189
+ 1640TIP3    H155509  -3.263  -1.178   3.285
+ 1640TIP3    H255510  -3.260  -1.270   3.167
+ 1640TIP3   OH255511  -3.670  -1.501   3.463
+ 1640TIP3    H155512  -3.734  -1.549   3.518
+ 1640TIP3    H255513  -3.644  -1.569   3.399
+ 1640TIP3   OH255514  -3.577  -1.700   3.284
+ 1640TIP3    H155515  -3.580  -1.686   3.188
+ 1640TIP3    H255516  -3.480  -1.700   3.301
+ 1640TIP3   OH255517  -2.625  -1.446   3.220
+ 1640TIP3    H155518  -2.633  -1.489   3.134
+ 1640TIP3    H255519  -2.635  -1.352   3.195
+ 1640TIP3   OH255520  -3.600  -0.577   3.393
+ 1640TIP3    H155521  -3.505  -0.564   3.406
+ 1640TIP3    H255522  -3.613  -0.532   3.309
+ 1640TIP3   OH255523  -4.198  -1.082   3.295
+ 1640TIP3    H155524  -4.125  -1.088   3.359
+ 1640TIP3    H255525  -4.218  -1.174   3.275
+ 1640TIP3   OH255526  -4.273  -0.799   4.018
+ 1640TIP3    H155527  -4.273  -0.893   4.042
+ 1640TIP3    H255528  -4.245  -0.760   4.102
+ 1640TIP3   OH255529  -2.491  -0.671   4.272
+ 1640TIP3    H155530  -2.512  -0.685   4.366
+ 1640TIP3    H255531  -2.394  -0.675   4.276
+ 1640TIP3   OH255532  -2.586  -1.309   3.614
+ 1640TIP3    H155533  -2.495  -1.276   3.629
+ 1640TIP3    H255534  -2.594  -1.372   3.687
+ 1640TIP3   OH255535  -2.537  -1.515   3.814
+ 1640TIP3    H155536  -2.603  -1.571   3.859
+ 1640TIP3    H255537  -2.468  -1.503   3.883
+ 1641TIP3   OH255538  -2.568  -1.281   4.328
+ 1641TIP3    H155539  -2.505  -1.334   4.278
+ 1641TIP3    H255540  -2.561  -1.194   4.288
+ 1641TIP3   OH255541  -2.510  -1.568   3.467
+ 1641TIP3    H155542  -2.562  -1.540   3.390
+ 1641TIP3    H255543  -2.523  -1.493   3.527
+ 1641TIP3   OH255544  -2.690  -1.811   3.295
+ 1641TIP3    H155545  -2.661  -1.753   3.224
+ 1641TIP3    H255546  -2.711  -1.894   3.248
+ 1641TIP3   OH255547  -2.746  -1.704   3.905
+ 1641TIP3    H155548  -2.755  -1.799   3.904
+ 1641TIP3    H255549  -2.782  -1.681   3.993
+ 1641TIP3   OH255550  -2.740  -2.076   3.217
+ 1641TIP3    H155551  -2.679  -2.126   3.274
+ 1641TIP3    H255552  -2.819  -2.133   3.212
+ 1641TIP3   OH255553  -2.754  -2.037   3.668
+ 1641TIP3    H155554  -2.728  -2.092   3.744
+ 1641TIP3    H255555  -2.671  -1.993   3.642
+ 1641TIP3   OH255556  -2.731  -1.883   4.227
+ 1641TIP3    H155557  -2.635  -1.877   4.240
+ 1641TIP3    H255558  -2.764  -1.878   4.319
+ 1641TIP3   OH255559  -2.871  -2.655   3.655
+ 1641TIP3    H155560  -2.829  -2.623   3.737
+ 1641TIP3    H255561  -2.891  -2.571   3.612
+ 1641TIP3   OH255562  -4.165  -2.080   4.194
+ 1641TIP3    H155563  -4.174  -2.175   4.210
+ 1641TIP3    H255564  -4.112  -2.054   4.269
+ 1641TIP3   OH255565  -4.338  -1.824   4.317
+ 1641TIP3    H155566  -4.311  -1.871   4.236
+ 1641TIP3    H255567  -4.295  -1.738   4.306
+ 1642TIP3   OH255568  -2.516  -2.182   3.373
+ 1642TIP3    H155569  -2.483  -2.263   3.330
+ 1642TIP3    H255570  -2.435  -2.130   3.384
+ 1642TIP3   OH255571  -4.315  -2.228   3.648
+ 1642TIP3    H155572  -4.400  -2.199   3.612
+ 1642TIP3    H255573  -4.256  -2.157   3.612
+ 1642TIP3   OH255574  -2.826  -0.684   3.907
+ 1642TIP3    H155575  -2.784  -0.708   3.823
+ 1642TIP3    H255576  -2.754  -0.635   3.950
+ 1642TIP3   OH255577  -4.157  -0.785   4.267
+ 1642TIP3    H155578  -4.131  -0.772   4.360
+ 1642TIP3    H255579  -4.068  -0.785   4.227
+ 1642TIP3   OH255580  -3.909  -0.863   4.115
+ 1642TIP3    H155581  -3.921  -0.956   4.144
+ 1642TIP3    H255582  -3.819  -0.843   4.149
+ 1642TIP3   OH255583  -3.636  -0.817   4.212
+ 1642TIP3    H155584  -3.608  -0.904   4.183
+ 1642TIP3    H255585  -3.625  -0.825   4.308
+ 1642TIP3   OH255586  -3.298  -2.219   4.131
+ 1642TIP3    H155587  -3.361  -2.290   4.155
+ 1642TIP3    H255588  -3.233  -2.267   4.077
+ 1642TIP3   OH255589  -2.802  -2.438   4.157
+ 1642TIP3    H155590  -2.725  -2.380   4.144
+ 1642TIP3    H255591  -2.878  -2.387   4.126
+ 1642TIP3   OH255592  -2.549  -2.310   3.995
+ 1642TIP3    H155593  -2.507  -2.364   3.925
+ 1642TIP3    H255594  -2.519  -2.220   3.973
+ 1642TIP3   OH255595  -4.105  -2.369   3.884
+ 1642TIP3    H155596  -4.180  -2.397   3.830
+ 1642TIP3    H255597  -4.045  -2.446   3.876
+ 1643TIP3   OH255598  -4.182  -2.407   3.467
+ 1643TIP3    H155599  -4.132  -2.339   3.418
+ 1643TIP3    H255600  -4.233  -2.352   3.529
+ 1643TIP3   OH255601  -3.609  -2.387   3.886
+ 1643TIP3    H155602  -3.523  -2.344   3.874
+ 1643TIP3    H255603  -3.615  -2.392   3.982
+ 1643TIP3   OH255604  -3.048  -2.368   4.009
+ 1643TIP3    H155605  -3.031  -2.389   3.916
+ 1643TIP3    H255606  -3.088  -2.451   4.041
+ 1643TIP3   OH255607  -2.962  -2.394   3.599
+ 1643TIP3    H155608  -3.018  -2.313   3.598
+ 1643TIP3    H255609  -3.024  -2.458   3.638
+ 1643TIP3   OH255610  -4.186  -0.807   3.572
+ 1643TIP3    H155611  -4.250  -0.827   3.503
+ 1643TIP3    H255612  -4.186  -0.710   3.572
+ 1643TIP3   OH255613  -4.007  -2.221   3.320
+ 1643TIP3    H155614  -3.947  -2.277   3.268
+ 1643TIP3    H255615  -3.948  -2.190   3.391
+ 1643TIP3   OH255616  -3.504  -2.220   3.580
+ 1643TIP3    H155617  -3.464  -2.270   3.653
+ 1643TIP3    H255618  -3.484  -2.130   3.609
+ 1643TIP3   OH255619  -3.295  -0.626   3.404
+ 1643TIP3    H155620  -3.197  -0.627   3.401
+ 1643TIP3    H255621  -3.315  -0.693   3.337
+ 1643TIP3   OH255622  -2.646  -0.725   3.664
+ 1643TIP3    H155623  -2.668  -0.809   3.620
+ 1643TIP3    H255624  -2.648  -0.663   3.589
+ 1643TIP3   OH255625  -4.014  -0.703   3.272
+ 1643TIP3    H155626  -4.040  -0.693   3.364
+ 1643TIP3    H255627  -3.946  -0.773   3.277
+ 1644TIP3   OH255628  -1.282  -1.483   3.924
+ 1644TIP3    H155629  -1.276  -1.386   3.928
+ 1644TIP3    H255630  -1.350  -1.495   3.856
+ 1644TIP3   OH255631  -1.384  -1.543   4.247
+ 1644TIP3    H155632  -1.391  -1.618   4.309
+ 1644TIP3    H255633  -1.397  -1.587   4.161
+ 1644TIP3   OH255634  -1.029  -1.267   4.037
+ 1644TIP3    H155635  -1.069  -1.336   4.093
+ 1644TIP3    H255636  -0.996  -1.208   4.109
+ 1644TIP3   OH255637  -2.074  -1.121   4.246
+ 1644TIP3    H155638  -2.100  -1.213   4.223
+ 1644TIP3    H255639  -1.978  -1.136   4.258
+ 1644TIP3   OH255640  -2.379  -1.773   3.777
+ 1644TIP3    H155641  -2.419  -1.685   3.786
+ 1644TIP3    H255642  -2.450  -1.823   3.736
+ 1644TIP3   OH255643  -2.302  -1.537   3.975
+ 1644TIP3    H155644  -2.280  -1.615   4.028
+ 1644TIP3    H255645  -2.219  -1.524   3.927
+ 1644TIP3   OH255646  -1.322  -0.727   4.114
+ 1644TIP3    H155647  -1.260  -0.796   4.084
+ 1644TIP3    H255648  -1.352  -0.759   4.201
+ 1644TIP3   OH255649  -1.580  -1.314   4.278
+ 1644TIP3    H155650  -1.537  -1.382   4.223
+ 1644TIP3    H255651  -1.500  -1.278   4.321
+ 1644TIP3   OH255652  -1.230  -1.840   4.323
+ 1644TIP3    H155653  -1.191  -1.927   4.341
+ 1644TIP3    H255654  -1.226  -1.835   4.225
+ 1644TIP3   OH255655  -1.922  -2.053   4.043
+ 1644TIP3    H155656  -1.903  -1.970   3.996
+ 1644TIP3    H255657  -1.952  -2.108   3.968
+ 1645TIP3   OH255658  -1.129  -2.031   3.871
+ 1645TIP3    H155659  -1.074  -2.077   3.938
+ 1645TIP3    H255660  -1.061  -1.990   3.816
+ 1645TIP3   OH255661  -2.223  -1.787   4.100
+ 1645TIP3    H155662  -2.180  -1.851   4.156
+ 1645TIP3    H255663  -2.221  -1.833   4.014
+ 1645TIP3   OH255664  -1.717  -1.646   4.056
+ 1645TIP3    H155665  -1.641  -1.701   4.083
+ 1645TIP3    H255666  -1.761  -1.704   3.991
+ 1645TIP3   OH255667  -1.281  -1.193   3.791
+ 1645TIP3    H155668  -1.318  -1.221   3.706
+ 1645TIP3    H255669  -1.331  -1.111   3.810
+ 1645TIP3   OH255670  -0.949  -2.115   4.072
+ 1645TIP3    H155671  -0.983  -2.175   4.140
+ 1645TIP3    H255672  -0.897  -2.055   4.129
+ 1645TIP3   OH255673  -1.997  -1.962   4.298
+ 1645TIP3    H155674  -2.011  -1.870   4.275
+ 1645TIP3    H255675  -2.000  -2.009   4.212
+ 1645TIP3   OH255676  -2.311  -1.226   3.627
+ 1645TIP3    H155677  -2.329  -1.176   3.546
+ 1645TIP3    H255678  -2.293  -1.156   3.693
+ 1645TIP3   OH255679  -0.958  -1.132   4.258
+ 1645TIP3    H155680  -1.018  -1.152   4.333
+ 1645TIP3    H255681  -0.881  -1.097   4.304
+ 1645TIP3   OH255682  -1.622  -2.417   4.178
+ 1645TIP3    H155683  -1.626  -2.514   4.186
+ 1645TIP3    H255684  -1.705  -2.391   4.222
+ 1645TIP3   OH255685  -1.133  -0.888   3.969
+ 1645TIP3    H155686  -1.088  -0.968   3.936
+ 1645TIP3    H255687  -1.070  -0.818   3.945
+ 1646TIP3   OH255688  -0.988  -1.101   3.819
+ 1646TIP3    H155689  -1.044  -1.149   3.757
+ 1646TIP3    H255690  -0.993  -1.162   3.896
+ 1646TIP3   OH255691  -1.409  -1.526   3.644
+ 1646TIP3    H155692  -1.476  -1.470   3.600
+ 1646TIP3    H255693  -1.338  -1.527   3.577
+ 1646TIP3   OH255694  -1.382  -1.710   3.348
+ 1646TIP3    H155695  -1.310  -1.679   3.407
+ 1646TIP3    H255696  -1.333  -1.768   3.289
+ 1646TIP3   OH255697  -1.060  -1.527   3.750
+ 1646TIP3    H155698  -1.126  -1.507   3.819
+ 1646TIP3    H255699  -0.998  -1.585   3.799
+ 1646TIP3   OH255700  -1.897  -1.448   3.924
+ 1646TIP3    H155701  -1.934  -1.493   3.846
+ 1646TIP3    H255702  -1.840  -1.516   3.964
+ 1646TIP3   OH255703  -1.797  -1.130   4.155
+ 1646TIP3    H155704  -1.775  -1.174   4.073
+ 1646TIP3    H255705  -1.717  -1.141   4.208
+ 1646TIP3   OH255706  -1.880  -1.561   4.270
+ 1646TIP3    H155707  -1.812  -1.580   4.201
+ 1646TIP3    H255708  -1.826  -1.544   4.348
+ 1646TIP3   OH255709  -1.165  -1.581   3.494
+ 1646TIP3    H155710  -1.116  -1.558   3.575
+ 1646TIP3    H255711  -1.114  -1.532   3.425
+ 1646TIP3   OH255712  -1.414  -0.923   3.852
+ 1646TIP3    H155713  -1.373  -0.890   3.932
+ 1646TIP3    H255714  -1.467  -0.847   3.822
+ 1646TIP3   OH255715  -0.819  -2.411   3.445
+ 1646TIP3    H155716  -0.907  -2.401   3.486
+ 1646TIP3    H255717  -0.784  -2.320   3.449
+ 1647TIP3   OH255718  -2.009  -1.575   3.683
+ 1647TIP3    H155719  -2.028  -1.502   3.622
+ 1647TIP3    H255720  -2.069  -1.643   3.653
+ 1647TIP3   OH255721  -0.679  -0.992   3.303
+ 1647TIP3    H155722  -0.657  -0.898   3.317
+ 1647TIP3    H255723  -0.592  -1.035   3.313
+ 1647TIP3   OH255724  -2.388  -1.033   4.237
+ 1647TIP3    H155725  -2.291  -1.040   4.243
+ 1647TIP3    H255726  -2.406  -0.953   4.287
+ 1647TIP3   OH255727  -1.460  -0.652   3.700
+ 1647TIP3    H155728  -1.464  -0.642   3.603
+ 1647TIP3    H255729  -1.461  -0.561   3.732
+ 1647TIP3   OH255730  -2.083  -0.738   3.863
+ 1647TIP3    H155731  -2.068  -0.785   3.947
+ 1647TIP3    H255732  -2.166  -0.778   3.834
+ 1647TIP3   OH255733  -1.132  -0.709   3.418
+ 1647TIP3    H155734  -1.076  -0.776   3.373
+ 1647TIP3    H255735  -1.142  -0.749   3.507
+ 1647TIP3   OH255736  -1.192  -0.769   3.699
+ 1647TIP3    H155737  -1.287  -0.750   3.710
+ 1647TIP3    H255738  -1.183  -0.843   3.761
+ 1647TIP3   OH255739  -1.862  -2.324   4.290
+ 1647TIP3    H155740  -1.944  -2.344   4.243
+ 1647TIP3    H255741  -1.869  -2.229   4.308
+ 1647TIP3   OH255742  -1.007  -1.472   3.296
+ 1647TIP3    H155743  -1.030  -1.493   3.204
+ 1647TIP3    H255744  -0.911  -1.454   3.287
+ 1647TIP3   OH255745  -1.446  -2.099   3.346
+ 1647TIP3    H155746  -1.493  -2.115   3.428
+ 1647TIP3    H255747  -1.485  -2.167   3.289
+ 1648TIP3   OH255748  -1.879  -1.819   3.883
+ 1648TIP3    H155749  -1.975  -1.830   3.867
+ 1648TIP3    H255750  -1.844  -1.843   3.795
+ 1648TIP3   OH255751  -1.320  -1.763   3.765
+ 1648TIP3    H155752  -1.362  -1.683   3.727
+ 1648TIP3    H255753  -1.252  -1.783   3.698
+ 1648TIP3   OH255754  -1.241  -1.824   4.042
+ 1648TIP3    H155755  -1.269  -1.770   3.966
+ 1648TIP3    H255756  -1.219  -1.907   3.995
+ 1648TIP3   OH255757  -1.801  -2.050   3.236
+ 1648TIP3    H155758  -1.836  -2.088   3.319
+ 1648TIP3    H255759  -1.881  -2.042   3.182
+ 1648TIP3   OH255760  -2.454  -2.061   3.940
+ 1648TIP3    H155761  -2.399  -2.066   4.021
+ 1648TIP3    H255762  -2.399  -2.103   3.872
+ 1648TIP3   OH255763  -2.298  -2.024   3.512
+ 1648TIP3    H155764  -2.242  -1.976   3.447
+ 1648TIP3    H255765  -2.367  -1.957   3.530
+ 1648TIP3   OH255766  -1.611  -2.055   3.986
+ 1648TIP3    H155767  -1.704  -2.072   4.007
+ 1648TIP3    H255768  -1.566  -2.088   4.065
+ 1648TIP3   OH255769  -2.148  -1.938   3.854
+ 1648TIP3    H155770  -2.229  -1.913   3.807
+ 1648TIP3    H255771  -2.118  -2.018   3.806
+ 1648TIP3   OH255772  -1.785  -1.904   3.623
+ 1648TIP3    H155773  -1.688  -1.900   3.627
+ 1648TIP3    H255774  -1.808  -1.847   3.548
+ 1648TIP3   OH255775  -1.168  -2.182   4.273
+ 1648TIP3    H155776  -1.204  -2.166   4.361
+ 1648TIP3    H255777  -1.247  -2.193   4.219
+ 1649TIP3   OH255778  -1.940  -1.780   3.399
+ 1649TIP3    H155779  -1.998  -1.812   3.329
+ 1649TIP3    H255780  -1.858  -1.762   3.349
+ 1649TIP3   OH255781  -1.515  -1.819   4.194
+ 1649TIP3    H155782  -1.447  -1.855   4.134
+ 1649TIP3    H255783  -1.514  -1.886   4.264
+ 1649TIP3   OH255784  -1.973  -2.166   3.785
+ 1649TIP3    H155785  -2.032  -2.242   3.800
+ 1649TIP3    H255786  -1.893  -2.208   3.750
+ 1649TIP3   OH255787  -1.595  -1.321   3.582
+ 1649TIP3    H155788  -1.669  -1.374   3.546
+ 1649TIP3    H255789  -1.612  -1.323   3.678
+ 1649TIP3   OH255790  -1.177  -2.042   3.361
+ 1649TIP3    H155791  -1.275  -2.043   3.356
+ 1649TIP3    H255792  -1.158  -1.967   3.421
+ 1649TIP3   OH255793  -1.109  -1.857   3.566
+ 1649TIP3    H155794  -1.021  -1.875   3.604
+ 1649TIP3    H255795  -1.095  -1.772   3.520
+ 1649TIP3   OH255796  -2.093  -1.412   4.175
+ 1649TIP3    H155797  -2.035  -1.401   4.098
+ 1649TIP3    H255798  -2.043  -1.481   4.223
+ 1649TIP3   OH255799  -1.352  -1.187   3.474
+ 1649TIP3    H155800  -1.380  -1.101   3.513
+ 1649TIP3    H255801  -1.426  -1.244   3.501
+ 1649TIP3   OH255802  -0.651  -1.861   3.540
+ 1649TIP3    H155803  -0.704  -1.881   3.461
+ 1649TIP3    H255804  -0.638  -1.765   3.525
+ 1649TIP3   OH255805  -0.795  -0.998   3.561
+ 1649TIP3    H155806  -0.850  -1.068   3.602
+ 1649TIP3    H255807  -0.786  -1.032   3.470
+ 1650TIP3   OH255808  -1.117  -1.448   4.247
+ 1650TIP3    H155809  -1.206  -1.480   4.267
+ 1650TIP3    H255810  -1.078  -1.525   4.200
+ 1650TIP3   OH255811  -1.840  -1.058   3.869
+ 1650TIP3    H155812  -1.800  -0.970   3.874
+ 1650TIP3    H255813  -1.934  -1.037   3.865
+ 1650TIP3   OH255814  -2.241  -1.576   3.350
+ 1650TIP3    H155815  -2.183  -1.509   3.390
+ 1650TIP3    H255816  -2.328  -1.551   3.386
+ 1650TIP3   OH255817  -1.657  -1.286   3.864
+ 1650TIP3    H155818  -1.694  -1.196   3.861
+ 1650TIP3    H255819  -1.734  -1.337   3.893
+ 1650TIP3   OH255820  -1.796  -0.764   3.812
+ 1650TIP3    H155821  -1.891  -0.751   3.820
+ 1650TIP3    H255822  -1.762  -0.676   3.839
+ 1650TIP3   OH255823  -1.079  -1.150   3.340
+ 1650TIP3    H155824  -1.042  -1.207   3.411
+ 1650TIP3    H255825  -1.173  -1.166   3.357
+ 1650TIP3   OH255826  -0.581  -0.746   3.416
+ 1650TIP3    H155827  -0.509  -0.686   3.387
+ 1650TIP3    H255828  -0.657  -0.686   3.399
+ 1650TIP3   OH255829  -0.981  -1.289   3.575
+ 1650TIP3    H155830  -1.015  -1.362   3.629
+ 1650TIP3    H255831  -0.885  -1.298   3.587
+ 1650TIP3   OH255832  -1.658  -1.051   3.195
+ 1650TIP3    H155833  -1.632  -1.129   3.143
+ 1650TIP3    H255834  -1.702  -1.092   3.271
+ 1650TIP3   OH255835  -1.775  -1.099   3.465
+ 1650TIP3    H155836  -1.725  -1.153   3.527
+ 1650TIP3    H255837  -1.760  -1.008   3.499
+ 1651TIP3   OH255838  -2.091  -1.355   3.504
+ 1651TIP3    H155839  -2.163  -1.317   3.557
+ 1651TIP3    H255840  -2.043  -1.275   3.477
+ 1651TIP3   OH255841  -1.261  -2.163   3.633
+ 1651TIP3    H155842  -1.241  -2.112   3.553
+ 1651TIP3    H255843  -1.215  -2.113   3.702
+ 1651TIP3   OH255844  -1.478  -0.935   3.529
+ 1651TIP3    H155845  -1.562  -0.888   3.545
+ 1651TIP3    H255846  -1.446  -0.891   3.448
+ 1651TIP3   OH255847  -1.521  -1.963   3.727
+ 1651TIP3    H155848  -1.443  -1.906   3.744
+ 1651TIP3    H255849  -1.550  -1.983   3.818
+ 1651TIP3   OH255850  -1.462  -2.264   3.819
+ 1651TIP3    H155851  -1.476  -2.199   3.890
+ 1651TIP3    H255852  -1.388  -2.223   3.770
+ 1651TIP3   OH255853  -1.758  -0.829   3.528
+ 1651TIP3    H155854  -1.766  -0.748   3.474
+ 1651TIP3    H255855  -1.773  -0.795   3.618
+ 1651TIP3   OH255856  -1.888  -2.162   3.473
+ 1651TIP3    H155857  -1.887  -2.089   3.537
+ 1651TIP3    H255858  -1.809  -2.212   3.500
+ 1651TIP3   OH255859  -1.010  -1.685   4.138
+ 1651TIP3    H155860  -1.089  -1.733   4.108
+ 1651TIP3    H255861  -0.954  -1.759   4.172
+ 1651TIP3   OH255862  -2.048  -1.074   3.380
+ 1651TIP3    H155863  -1.973  -1.027   3.421
+ 1651TIP3    H255864  -1.999  -1.125   3.314
+ 1651TIP3   OH255865  -2.233  -1.856   3.294
+ 1651TIP3    H155866  -2.221  -1.762   3.316
+ 1651TIP3    H255867  -2.319  -1.856   3.251
+ 1652TIP3   OH255868  -0.878  -0.688   4.279
+ 1652TIP3    H155869  -0.959  -0.736   4.265
+ 1652TIP3    H255870  -0.812  -0.754   4.302
+ 1652TIP3   OH255871  -2.169  -2.312   4.179
+ 1652TIP3    H155872  -2.163  -2.320   4.082
+ 1652TIP3    H255873  -2.163  -2.408   4.199
+ 1652TIP3   OH255874  -2.253  -1.006   3.799
+ 1652TIP3    H155875  -2.329  -0.952   3.825
+ 1652TIP3    H255876  -2.214  -0.951   3.728
+ 1652TIP3   OH255877  -1.436  -0.882   3.246
+ 1652TIP3    H155878  -1.513  -0.942   3.234
+ 1652TIP3    H255879  -1.366  -0.935   3.206
+ 1652TIP3   OH255880  -0.970  -0.887   3.264
+ 1652TIP3    H155881  -0.968  -0.980   3.294
+ 1652TIP3    H255882  -0.899  -0.886   3.197
+ 1652TIP3   OH255883  -1.894  -1.306   3.227
+ 1652TIP3    H155884  -1.878  -1.367   3.302
+ 1652TIP3    H255885  -1.809  -1.312   3.181
+ 1652TIP3   OH255886  -1.368  -1.174   3.190
+ 1652TIP3    H155887  -1.377  -1.180   3.286
+ 1652TIP3    H255888  -1.374  -1.270   3.167
+ 1652TIP3   OH255889  -1.784  -1.499   3.463
+ 1652TIP3    H155890  -1.847  -1.551   3.516
+ 1652TIP3    H255891  -1.755  -1.566   3.398
+ 1652TIP3   OH255892  -1.690  -1.696   3.288
+ 1652TIP3    H155893  -1.695  -1.692   3.191
+ 1652TIP3    H255894  -1.594  -1.702   3.302
+ 1652TIP3   OH255895  -0.741  -1.445   3.220
+ 1652TIP3    H155896  -0.744  -1.493   3.135
+ 1652TIP3    H255897  -0.750  -1.352   3.189
+ 1653TIP3   OH255898  -1.714  -0.574   3.397
+ 1653TIP3    H155899  -1.619  -0.563   3.408
+ 1653TIP3    H255900  -1.728  -0.532   3.311
+ 1653TIP3   OH255901  -2.323  -1.134   3.350
+ 1653TIP3    H155902  -2.227  -1.116   3.363
+ 1653TIP3    H255903  -2.320  -1.214   3.293
+ 1653TIP3   OH255904  -2.419  -0.618   3.821
+ 1653TIP3    H155905  -2.494  -0.654   3.770
+ 1653TIP3    H255906  -2.412  -0.683   3.893
+ 1653TIP3   OH255907  -2.383  -0.816   4.019
+ 1653TIP3    H155908  -2.410  -0.905   4.048
+ 1653TIP3    H255909  -2.357  -0.779   4.105
+ 1653TIP3   OH255910  -0.593  -0.661   4.270
+ 1653TIP3    H155911  -0.623  -0.682   4.360
+ 1653TIP3    H255912  -0.498  -0.679   4.278
+ 1653TIP3   OH255913  -0.690  -1.305   3.614
+ 1653TIP3    H155914  -0.599  -1.280   3.639
+ 1653TIP3    H255915  -0.708  -1.371   3.684
+ 1653TIP3   OH255916  -0.652  -1.510   3.813
+ 1653TIP3    H155917  -0.720  -1.567   3.853
+ 1653TIP3    H255918  -0.584  -1.505   3.884
+ 1653TIP3   OH255919  -0.683  -1.279   4.327
+ 1653TIP3    H155920  -0.620  -1.336   4.282
+ 1653TIP3    H255921  -0.668  -1.193   4.286
+ 1653TIP3   OH255922  -0.632  -1.570   3.470
+ 1653TIP3    H155923  -0.681  -1.543   3.390
+ 1653TIP3    H255924  -0.641  -1.491   3.526
+ 1653TIP3   OH255925  -0.803  -1.810   3.295
+ 1653TIP3    H155926  -0.773  -1.755   3.221
+ 1653TIP3    H255927  -0.826  -1.894   3.250
+ 1654TIP3   OH255928  -0.865  -1.698   3.891
+ 1654TIP3    H155929  -0.867  -1.794   3.876
+ 1654TIP3    H255930  -0.899  -1.691   3.982
+ 1654TIP3   OH255931  -2.377  -1.512   4.263
+ 1654TIP3    H155932  -2.340  -1.485   4.177
+ 1654TIP3    H255933  -2.298  -1.515   4.318
+ 1654TIP3   OH255934  -0.857  -2.076   3.219
+ 1654TIP3    H155935  -0.797  -2.128   3.274
+ 1654TIP3    H255936  -0.935  -2.132   3.209
+ 1654TIP3   OH255937  -0.873  -1.950   3.711
+ 1654TIP3    H155938  -0.850  -2.045   3.716
+ 1654TIP3    H255939  -0.793  -1.915   3.668
+ 1654TIP3   OH255940  -0.854  -1.884   4.220
+ 1654TIP3    H155941  -0.758  -1.887   4.236
+ 1654TIP3    H255942  -0.890  -1.900   4.309
+ 1654TIP3   OH255943  -0.828  -2.228   3.707
+ 1654TIP3    H155944  -0.817  -2.262   3.798
+ 1654TIP3    H255945  -0.907  -2.279   3.678
+ 1654TIP3   OH255946  -2.310  -2.085   4.197
+ 1654TIP3    H155947  -2.285  -2.180   4.196
+ 1654TIP3    H255948  -2.243  -2.054   4.258
+ 1654TIP3   OH255949  -2.465  -1.811   4.302
+ 1654TIP3    H155950  -2.418  -1.853   4.229
+ 1654TIP3    H255951  -2.432  -1.719   4.296
+ 1654TIP3   OH255952  -0.630  -2.182   3.375
+ 1654TIP3    H155953  -0.599  -2.261   3.328
+ 1654TIP3    H255954  -0.549  -2.129   3.381
+ 1654TIP3   OH255955  -2.408  -2.202   3.692
+ 1654TIP3    H155956  -2.498  -2.194   3.659
+ 1654TIP3    H255957  -2.357  -2.148   3.628
+ 1655TIP3   OH255958  -0.945  -0.682   3.907
+ 1655TIP3    H155959  -0.897  -0.710   3.829
+ 1655TIP3    H255960  -0.878  -0.634   3.957
+ 1655TIP3   OH255961  -2.240  -0.778   4.262
+ 1655TIP3    H155962  -2.204  -0.775   4.353
+ 1655TIP3    H255963  -2.157  -0.798   4.214
+ 1655TIP3   OH255964  -2.019  -0.866   4.116
+ 1655TIP3    H155965  -2.030  -0.960   4.142
+ 1655TIP3    H255966  -1.927  -0.849   4.147
+ 1655TIP3   OH255967  -1.750  -0.818   4.213
+ 1655TIP3    H155968  -1.720  -0.906   4.184
+ 1655TIP3    H255969  -1.738  -0.825   4.308
+ 1655TIP3   OH255970  -1.414  -2.219   4.129
+ 1655TIP3    H155971  -1.475  -2.291   4.155
+ 1655TIP3    H255972  -1.349  -2.268   4.075
+ 1655TIP3   OH255973  -0.932  -2.411   4.135
+ 1655TIP3    H155974  -0.866  -2.355   4.092
+ 1655TIP3    H255975  -1.015  -2.385   4.093
+ 1655TIP3   OH255976  -0.707  -2.312   3.964
+ 1655TIP3    H155977  -0.637  -2.353   3.912
+ 1655TIP3    H255978  -0.675  -2.220   3.973
+ 1655TIP3   OH255979  -2.172  -2.347   3.873
+ 1655TIP3    H155980  -2.261  -2.373   3.841
+ 1655TIP3    H255981  -2.138  -2.432   3.905
+ 1655TIP3   OH255982  -2.302  -2.405   3.472
+ 1655TIP3    H155983  -2.244  -2.341   3.426
+ 1655TIP3    H255984  -2.332  -2.354   3.549
+ 1655TIP3   OH255985  -1.727  -2.371   3.891
+ 1655TIP3    H155986  -1.635  -2.348   3.875
+ 1655TIP3    H255987  -1.726  -2.391   3.985
+ 1656TIP3   OH255988  -1.180  -2.366   4.003
+ 1656TIP3    H155989  -1.151  -2.394   3.915
+ 1656TIP3    H255990  -1.213  -2.449   4.041
+ 1656TIP3   OH255991  -1.059  -2.368   3.616
+ 1656TIP3    H155992  -1.142  -2.319   3.602
+ 1656TIP3    H255993  -1.093  -2.458   3.631
+ 1656TIP3   OH255994  -2.276  -0.811   3.593
+ 1656TIP3    H155995  -2.340  -0.823   3.521
+ 1656TIP3    H255996  -2.279  -0.715   3.603
+ 1656TIP3   OH255997  -2.123  -2.224   3.321
+ 1656TIP3    H155998  -2.063  -2.281   3.270
+ 1656TIP3    H255999  -2.063  -2.191   3.391
+ 1656TIP3   OH256000  -1.614  -2.206   3.582
+ 1656TIP3    H156001  -1.579  -2.264   3.653
+ 1656TIP3    H256002  -1.595  -2.119   3.621
+ 1656TIP3   OH256003  -1.410  -0.626   3.404
+ 1656TIP3    H156004  -1.312  -0.626   3.399
+ 1656TIP3    H256005  -1.430  -0.694   3.337
+ 1656TIP3   OH256006  -0.753  -0.734   3.656
+ 1656TIP3    H156007  -0.805  -0.808   3.616
+ 1656TIP3    H256008  -0.775  -0.660   3.595
+ 1656TIP3   OH256009  -2.132  -0.715   3.273
+ 1656TIP3    H156010  -2.157  -0.689   3.363
+ 1656TIP3    H256011  -2.056  -0.773   3.287
+ 1656TIP3   OH256012   0.616  -1.478   3.916
+ 1656TIP3    H156013   0.610  -1.383   3.929
+ 1656TIP3    H256014   0.533  -1.497   3.872
+ 1656TIP3   OH256015   0.857  -1.269   4.039
+ 1656TIP3    H156016   0.811  -1.336   4.091
+ 1656TIP3    H256017   0.891  -1.212   4.112
+ 1657TIP3   OH256018  -0.188  -1.122   4.242
+ 1657TIP3    H156019  -0.211  -1.215   4.223
+ 1657TIP3    H256020  -0.093  -1.134   4.259
+ 1657TIP3   OH256021  -0.493  -1.772   3.779
+ 1657TIP3    H156022  -0.535  -1.685   3.785
+ 1657TIP3    H256023  -0.562  -1.825   3.737
+ 1657TIP3   OH256024  -0.415  -1.535   3.975
+ 1657TIP3    H156025  -0.396  -1.615   4.027
+ 1657TIP3    H256026  -0.332  -1.525   3.927
+ 1657TIP3   OH256027   0.562  -0.726   4.115
+ 1657TIP3    H156028   0.624  -0.794   4.082
+ 1657TIP3    H256029   0.536  -0.761   4.202
+ 1657TIP3   OH256030   0.308  -1.307   4.266
+ 1657TIP3    H156031   0.339  -1.394   4.231
+ 1657TIP3    H256032   0.390  -1.283   4.313
+ 1657TIP3   OH256033   0.713  -1.843   4.324
+ 1657TIP3    H156034   0.694  -1.937   4.333
+ 1657TIP3    H256035   0.656  -1.817   4.249
+ 1657TIP3   OH256036  -0.040  -2.053   4.044
+ 1657TIP3    H156037  -0.017  -1.969   3.998
+ 1657TIP3    H256038  -0.068  -2.106   3.967
+ 1657TIP3   OH256039   0.755  -2.040   3.864
+ 1657TIP3    H156040   0.809  -2.075   3.938
+ 1657TIP3    H256041   0.820  -1.984   3.820
+ 1657TIP3   OH256042  -0.341  -1.788   4.100
+ 1657TIP3    H156043  -0.290  -1.848   4.155
+ 1657TIP3    H256044  -0.336  -1.833   4.014
+ 1657TIP3   OH256045   0.171  -1.653   4.056
+ 1657TIP3    H156046   0.260  -1.684   4.080
+ 1657TIP3    H256047   0.138  -1.723   3.997
+ 1658TIP3   OH256048   0.605  -1.191   3.791
+ 1658TIP3    H156049   0.568  -1.222   3.708
+ 1658TIP3    H256050   0.553  -1.111   3.809
+ 1658TIP3   OH256051   0.938  -2.113   4.071
+ 1658TIP3    H156052   0.914  -2.178   4.139
+ 1658TIP3    H256053   0.984  -2.049   4.128
+ 1658TIP3   OH256054  -0.116  -1.963   4.296
+ 1658TIP3    H156055  -0.120  -1.869   4.274
+ 1658TIP3    H256056  -0.110  -2.006   4.209
+ 1658TIP3   OH256057  -0.422  -1.207   3.644
+ 1658TIP3    H156058  -0.435  -1.176   3.552
+ 1658TIP3    H256059  -0.398  -1.128   3.694
+ 1658TIP3   OH256060   0.930  -1.137   4.260
+ 1658TIP3    H156061   0.867  -1.150   4.334
+ 1658TIP3    H256062   0.999  -1.085   4.302
+ 1658TIP3   OH256063   0.259  -2.417   4.176
+ 1658TIP3    H156064   0.257  -2.514   4.182
+ 1658TIP3    H256065   0.178  -2.391   4.223
+ 1658TIP3   OH256066   0.751  -0.886   3.965
+ 1658TIP3    H156067   0.797  -0.968   3.935
+ 1658TIP3    H256068   0.819  -0.819   3.944
+ 1658TIP3   OH256069   0.897  -1.102   3.822
+ 1658TIP3    H156070   0.842  -1.148   3.757
+ 1658TIP3    H256071   0.891  -1.165   3.897
+ 1658TIP3   OH256072   0.473  -1.528   3.640
+ 1658TIP3    H156073   0.410  -1.469   3.596
+ 1658TIP3    H256074   0.548  -1.526   3.578
+ 1658TIP3   OH256075   0.504  -1.710   3.347
+ 1658TIP3    H156076   0.573  -1.679   3.408
+ 1658TIP3    H256077   0.555  -1.767   3.288
+ 1659TIP3   OH256078   0.827  -1.530   3.749
+ 1659TIP3    H156079   0.758  -1.507   3.817
+ 1659TIP3    H256080   0.886  -1.586   3.802
+ 1659TIP3   OH256081  -0.008  -1.455   3.929
+ 1659TIP3    H156082  -0.043  -1.500   3.849
+ 1659TIP3    H256083   0.052  -1.522   3.965
+ 1659TIP3   OH256084   0.093  -1.133   4.155
+ 1659TIP3    H156085   0.115  -1.180   4.073
+ 1659TIP3    H256086   0.171  -1.150   4.209
+ 1659TIP3   OH256087   0.012  -1.557   4.268
+ 1659TIP3    H156088   0.080  -1.577   4.201
+ 1659TIP3    H256089   0.064  -1.552   4.349
+ 1659TIP3   OH256090   0.722  -1.583   3.495
+ 1659TIP3    H156091   0.769  -1.557   3.577
+ 1659TIP3    H256092   0.772  -1.532   3.427
+ 1659TIP3   OH256093   0.466  -0.924   3.852
+ 1659TIP3    H156094   0.517  -0.894   3.929
+ 1659TIP3    H256095   0.419  -0.843   3.825
+ 1659TIP3   OH256096   1.067  -2.411   3.445
+ 1659TIP3    H156097   0.979  -2.401   3.486
+ 1659TIP3    H256098   1.101  -2.321   3.450
+ 1659TIP3   OH256099  -0.125  -1.576   3.684
+ 1659TIP3    H156100  -0.140  -1.504   3.621
+ 1659TIP3    H256101  -0.184  -1.645   3.651
+ 1659TIP3   OH256102   1.204  -0.997   3.298
+ 1659TIP3    H156103   1.220  -0.903   3.322
+ 1659TIP3    H256104   1.291  -1.037   3.318
+ 1659TIP3   OH256105  -0.502  -1.029   4.227
+ 1659TIP3    H156106  -0.408  -1.043   4.246
+ 1659TIP3    H256107  -0.525  -0.959   4.290
+ 1660TIP3   OH256108   0.416  -0.652   3.699
+ 1660TIP3    H156109   0.425  -0.643   3.602
+ 1660TIP3    H256110   0.427  -0.561   3.731
+ 1660TIP3   OH256111  -0.233  -0.782   3.845
+ 1660TIP3    H156112  -0.190  -0.808   3.929
+ 1660TIP3    H256113  -0.326  -0.798   3.867
+ 1660TIP3   OH256114   0.752  -0.710   3.418
+ 1660TIP3    H156115   0.810  -0.775   3.373
+ 1660TIP3    H256116   0.747  -0.749   3.508
+ 1660TIP3   OH256117   0.691  -0.767   3.699
+ 1660TIP3    H156118   0.596  -0.756   3.714
+ 1660TIP3    H256119   0.710  -0.841   3.759
+ 1660TIP3   OH256120   0.015  -2.328   4.292
+ 1660TIP3    H156121  -0.067  -2.331   4.241
+ 1660TIP3    H256122   0.028  -2.232   4.308
+ 1660TIP3   OH256123   0.878  -1.476   3.295
+ 1660TIP3    H156124   0.857  -1.493   3.202
+ 1660TIP3    H256125   0.972  -1.452   3.289
+ 1660TIP3   OH256126   0.442  -2.100   3.345
+ 1660TIP3    H156127   0.392  -2.112   3.428
+ 1660TIP3    H256128   0.400  -2.167   3.289
+ 1660TIP3   OH256129   0.005  -1.823   3.887
+ 1660TIP3    H156130  -0.090  -1.831   3.867
+ 1660TIP3    H256131   0.043  -1.841   3.798
+ 1660TIP3   OH256132   0.562  -1.766   3.759
+ 1660TIP3    H156133   0.525  -1.682   3.727
+ 1660TIP3    H256134   0.634  -1.780   3.695
+ 1660TIP3   OH256135   0.645  -1.823   4.050
+ 1660TIP3    H156136   0.600  -1.763   3.989
+ 1660TIP3    H256137   0.648  -1.905   3.998
+ 1661TIP3   OH256138   0.084  -2.051   3.236
+ 1661TIP3    H156139   0.047  -2.089   3.318
+ 1661TIP3    H256140   0.005  -2.041   3.181
+ 1661TIP3   OH256141  -0.569  -2.064   3.944
+ 1661TIP3    H156142  -0.510  -2.069   4.021
+ 1661TIP3    H256143  -0.518  -2.105   3.873
+ 1661TIP3   OH256144  -0.412  -2.023   3.515
+ 1661TIP3    H156145  -0.358  -1.976   3.448
+ 1661TIP3    H256146  -0.482  -1.958   3.531
+ 1661TIP3   OH256147   0.272  -2.053   3.987
+ 1661TIP3    H156148   0.182  -2.070   4.018
+ 1661TIP3    H256149   0.326  -2.078   4.065
+ 1661TIP3   OH256150  -0.264  -1.939   3.855
+ 1661TIP3    H156151  -0.345  -1.912   3.806
+ 1661TIP3    H256152  -0.233  -2.016   3.805
+ 1661TIP3   OH256153   0.101  -1.906   3.622
+ 1661TIP3    H156154   0.198  -1.900   3.628
+ 1661TIP3    H256155   0.079  -1.847   3.548
+ 1661TIP3   OH256156   0.717  -2.198   4.284
+ 1661TIP3    H156157   0.680  -2.170   4.369
+ 1661TIP3    H256158   0.643  -2.186   4.222
+ 1661TIP3   OH256159  -0.055  -1.780   3.400
+ 1661TIP3    H156160  -0.113  -1.812   3.329
+ 1661TIP3    H256161   0.026  -1.762   3.349
+ 1661TIP3   OH256162  -0.087  -2.165   3.788
+ 1661TIP3    H156163  -0.140  -2.245   3.799
+ 1661TIP3    H256164  -0.007  -2.200   3.745
+ 1661TIP3   OH256165   0.289  -1.319   3.581
+ 1661TIP3    H156166   0.216  -1.375   3.547
+ 1661TIP3    H256167   0.275  -1.321   3.678
+ 1662TIP3   OH256168   0.710  -2.040   3.357
+ 1662TIP3    H156169   0.612  -2.043   3.356
+ 1662TIP3    H256170   0.730  -1.969   3.421
+ 1662TIP3   OH256171   0.778  -1.859   3.561
+ 1662TIP3    H156172   0.864  -1.875   3.604
+ 1662TIP3    H256173   0.790  -1.770   3.523
+ 1662TIP3   OH256174  -0.205  -1.410   4.174
+ 1662TIP3    H156175  -0.146  -1.402   4.097
+ 1662TIP3    H256176  -0.156  -1.478   4.224
+ 1662TIP3   OH256177   0.533  -1.187   3.472
+ 1662TIP3    H156178   0.509  -1.102   3.514
+ 1662TIP3    H256179   0.459  -1.243   3.501
+ 1662TIP3   OH256180   1.237  -1.861   3.538
+ 1662TIP3    H156181   1.180  -1.878   3.460
+ 1662TIP3    H256182   1.249  -1.765   3.526
+ 1662TIP3   OH256183   1.056  -0.997   3.548
+ 1662TIP3    H156184   1.034  -1.074   3.602
+ 1662TIP3    H256185   1.111  -1.036   3.478
+ 1662TIP3   OH256186   0.739  -1.459   4.259
+ 1662TIP3    H156187   0.649  -1.499   4.269
+ 1662TIP3    H256188   0.783  -1.529   4.207
+ 1662TIP3   OH256189   0.043  -1.058   3.869
+ 1662TIP3    H156190   0.092  -0.975   3.877
+ 1662TIP3    H256191  -0.047  -1.026   3.858
+ 1662TIP3   OH256192  -0.356  -1.577   3.352
+ 1662TIP3    H156193  -0.297  -1.509   3.390
+ 1662TIP3    H256194  -0.444  -1.547   3.381
+ 1662TIP3   OH256195   0.228  -1.286   3.857
+ 1662TIP3    H156196   0.190  -1.196   3.861
+ 1662TIP3    H256197   0.157  -1.339   3.895
+ 1663TIP3   OH256198   0.090  -0.765   3.817
+ 1663TIP3    H156199  -0.005  -0.751   3.811
+ 1663TIP3    H256200   0.123  -0.676   3.840
+ 1663TIP3   OH256201   0.803  -1.155   3.337
+ 1663TIP3    H156202   0.845  -1.202   3.411
+ 1663TIP3    H256203   0.710  -1.170   3.361
+ 1663TIP3   OH256204   1.276  -0.730   3.391
+ 1663TIP3    H156205   1.346  -0.665   3.369
+ 1663TIP3    H256206   1.199  -0.670   3.389
+ 1663TIP3   OH256207   0.899  -1.294   3.574
+ 1663TIP3    H156208   0.871  -1.366   3.634
+ 1663TIP3    H256209   0.996  -1.297   3.584
+ 1663TIP3   OH256210   0.226  -1.050   3.195
+ 1663TIP3    H156211   0.255  -1.126   3.142
+ 1663TIP3    H256212   0.184  -1.094   3.271
+ 1663TIP3   OH256213   0.106  -1.101   3.470
+ 1663TIP3    H156214   0.164  -1.155   3.526
+ 1663TIP3    H256215   0.126  -1.010   3.500
+ 1663TIP3   OH256216  -0.211  -1.353   3.503
+ 1663TIP3    H156217  -0.273  -1.312   3.565
+ 1663TIP3    H256218  -0.157  -1.277   3.475
+ 1663TIP3   OH256219   0.628  -2.165   3.634
+ 1663TIP3    H156220   0.644  -2.108   3.557
+ 1663TIP3    H256221   0.670  -2.114   3.705
+ 1663TIP3   OH256222   0.406  -0.935   3.529
+ 1663TIP3    H156223   0.324  -0.885   3.543
+ 1663TIP3    H256224   0.442  -0.892   3.450
+ 1663TIP3   OH256225   0.366  -1.964   3.727
+ 1663TIP3    H156226   0.443  -1.905   3.742
+ 1663TIP3    H256227   0.337  -1.982   3.819
+ 1664TIP3   OH256228   0.421  -2.263   3.818
+ 1664TIP3    H156229   0.412  -2.202   3.893
+ 1664TIP3    H256230   0.498  -2.224   3.772
+ 1664TIP3   OH256231   0.122  -0.828   3.528
+ 1664TIP3    H156232   0.119  -0.747   3.473
+ 1664TIP3    H256233   0.117  -0.793   3.618
+ 1664TIP3   OH256234  -0.002  -2.163   3.476
+ 1664TIP3    H156235   0.001  -2.085   3.534
+ 1664TIP3    H256236   0.080  -2.209   3.502
+ 1664TIP3   OH256237   0.878  -1.690   4.127
+ 1664TIP3    H156238   0.789  -1.730   4.112
+ 1664TIP3    H256239   0.923  -1.766   4.170
+ 1664TIP3   OH256240  -0.164  -1.074   3.385
+ 1664TIP3    H156241  -0.086  -1.030   3.422
+ 1664TIP3    H256242  -0.120  -1.123   3.314
+ 1664TIP3   OH256243  -0.349  -1.858   3.297
+ 1664TIP3    H156244  -0.337  -1.763   3.317
+ 1664TIP3    H256245  -0.430  -1.858   3.246
+ 1664TIP3   OH256246   1.007  -0.702   4.313
+ 1664TIP3    H156247   0.942  -0.725   4.245
+ 1664TIP3    H256248   1.088  -0.745   4.285
+ 1664TIP3   OH256249  -0.261  -2.354   4.172
+ 1664TIP3    H156250  -0.273  -2.351   4.074
+ 1664TIP3    H256251  -0.292  -2.443   4.194
+ 1664TIP3   OH256252   0.449  -0.881   3.246
+ 1664TIP3    H156253   0.374  -0.944   3.233
+ 1664TIP3    H256254   0.521  -0.934   3.207
+ 1664TIP3   OH256255   0.912  -0.889   3.256
+ 1664TIP3    H156256   0.926  -0.971   3.306
+ 1664TIP3    H256257   0.991  -0.887   3.199
+ 1665TIP3   OH256258  -0.010  -1.306   3.229
+ 1665TIP3    H156259   0.009  -1.368   3.302
+ 1665TIP3    H256260   0.075  -1.310   3.180
+ 1665TIP3   OH256261   0.513  -1.175   3.189
+ 1665TIP3    H156262   0.512  -1.180   3.286
+ 1665TIP3    H256263   0.510  -1.270   3.167
+ 1665TIP3   OH256264   0.098  -1.499   3.462
+ 1665TIP3    H156265   0.041  -1.554   3.517
+ 1665TIP3    H256266   0.131  -1.564   3.397
+ 1665TIP3   OH256267   0.195  -1.695   3.288
+ 1665TIP3    H156268   0.190  -1.692   3.191
+ 1665TIP3    H256269   0.292  -1.701   3.302
+ 1665TIP3   OH256270   1.147  -1.446   3.219
+ 1665TIP3    H156271   1.136  -1.488   3.133
+ 1665TIP3    H256272   1.135  -1.351   3.195
+ 1665TIP3   OH256273   0.171  -0.574   3.396
+ 1665TIP3    H156274   0.266  -0.564   3.409
+ 1665TIP3    H256275   0.160  -0.530   3.311
+ 1665TIP3   OH256276  -0.437  -1.133   3.361
+ 1665TIP3    H156277  -0.340  -1.118   3.363
+ 1665TIP3    H256278  -0.443  -1.211   3.302
+ 1665TIP3   OH256279  -0.527  -0.642   3.806
+ 1665TIP3    H156280  -0.621  -0.640   3.782
+ 1665TIP3    H256281  -0.530  -0.680   3.896
+ 1665TIP3   OH256282  -0.489  -0.827   4.012
+ 1665TIP3    H156283  -0.519  -0.912   4.050
+ 1665TIP3    H256284  -0.463  -0.784   4.096
+ 1665TIP3   OH256285   1.284  -0.667   4.273
+ 1665TIP3    H156286   1.262  -0.685   4.366
+ 1665TIP3    H256287   1.380  -0.675   4.276
+ 1666TIP3   OH256288   1.186  -1.309   3.613
+ 1666TIP3    H156289   1.276  -1.277   3.630
+ 1666TIP3    H256290   1.176  -1.372   3.686
+ 1666TIP3   OH256291   1.235  -1.515   3.812
+ 1666TIP3    H156292   1.165  -1.569   3.854
+ 1666TIP3    H256293   1.300  -1.504   3.885
+ 1666TIP3   OH256294   1.208  -1.279   4.331
+ 1666TIP3    H156295   1.265  -1.332   4.275
+ 1666TIP3    H256296   1.210  -1.193   4.287
+ 1666TIP3   OH256297   1.258  -1.568   3.468
+ 1666TIP3    H156298   1.206  -1.540   3.391
+ 1666TIP3    H256299   1.244  -1.494   3.529
+ 1666TIP3   OH256300   1.085  -1.813   3.295
+ 1666TIP3    H156301   1.109  -1.753   3.223
+ 1666TIP3    H256302   1.060  -1.894   3.247
+ 1666TIP3   OH256303   1.026  -1.700   3.893
+ 1666TIP3    H156304   1.017  -1.795   3.876
+ 1666TIP3    H256305   0.983  -1.690   3.980
+ 1666TIP3   OH256306  -0.492  -1.505   4.263
+ 1666TIP3    H156307  -0.452  -1.485   4.177
+ 1666TIP3    H256308  -0.413  -1.516   4.319
+ 1666TIP3   OH256309   1.032  -2.079   3.214
+ 1666TIP3    H156310   1.088  -2.128   3.276
+ 1666TIP3    H256311   0.950  -2.131   3.210
+ 1666TIP3   OH256312   1.012  -1.949   3.709
+ 1666TIP3    H156313   1.035  -2.044   3.716
+ 1666TIP3    H256314   1.093  -1.914   3.669
+ 1666TIP3   OH256315   1.032  -1.893   4.224
+ 1666TIP3    H156316   1.126  -1.879   4.244
+ 1666TIP3    H256317   0.986  -1.887   4.309
+ 1667TIP3   OH256318   1.060  -2.230   3.706
+ 1667TIP3    H156319   1.067  -2.260   3.798
+ 1667TIP3    H256320   0.979  -2.277   3.678
+ 1667TIP3   OH256321  -0.417  -2.098   4.193
+ 1667TIP3    H156322  -0.385  -2.190   4.203
+ 1667TIP3    H256323  -0.359  -2.053   4.255
+ 1667TIP3   OH256324  -0.578  -1.812   4.302
+ 1667TIP3    H156325  -0.533  -1.850   4.225
+ 1667TIP3    H256326  -0.548  -1.720   4.297
+ 1667TIP3   OH256327   1.255  -2.182   3.374
+ 1667TIP3    H156328   1.288  -2.261   3.329
+ 1667TIP3    H256329   1.336  -2.129   3.383
+ 1667TIP3   OH256330  -0.520  -2.209   3.693
+ 1667TIP3    H156331  -0.614  -2.204   3.672
+ 1667TIP3    H256332  -0.478  -2.149   3.629
+ 1667TIP3   OH256333   0.945  -0.683   3.908
+ 1667TIP3    H156334   0.986  -0.708   3.823
+ 1667TIP3    H256335   1.018  -0.635   3.949
+ 1667TIP3   OH256336  -0.351  -0.776   4.259
+ 1667TIP3    H156337  -0.317  -0.774   4.351
+ 1667TIP3    H256338  -0.267  -0.799   4.213
+ 1667TIP3   OH256339  -0.133  -0.866   4.113
+ 1667TIP3    H156340  -0.142  -0.959   4.142
+ 1667TIP3    H256341  -0.041  -0.847   4.143
+ 1667TIP3   OH256342   0.131  -0.821   4.214
+ 1667TIP3    H156343   0.166  -0.906   4.182
+ 1667TIP3    H256344   0.149  -0.828   4.308
+ 1667TIP3   OH256345   0.469  -2.220   4.123
+ 1667TIP3    H156346   0.411  -2.292   4.153
+ 1667TIP3    H256347   0.540  -2.269   4.078
+ 1668TIP3   OH256348   0.980  -2.409   4.149
+ 1668TIP3    H156349   1.047  -2.361   4.097
+ 1668TIP3    H256350   0.896  -2.382   4.109
+ 1668TIP3   OH256351   1.177  -2.312   3.961
+ 1668TIP3    H156352   1.250  -2.352   3.911
+ 1668TIP3    H256353   1.208  -2.220   3.974
+ 1668TIP3   OH256354  -0.292  -2.357   3.891
+ 1668TIP3    H156355  -0.377  -2.369   3.843
+ 1668TIP3    H256356  -0.247  -2.441   3.873
+ 1668TIP3   OH256357  -0.407  -2.408   3.478
+ 1668TIP3    H156358  -0.357  -2.342   3.426
+ 1668TIP3    H256359  -0.451  -2.352   3.545
+ 1668TIP3   OH256360   0.160  -2.381   3.892
+ 1668TIP3    H156361   0.247  -2.342   3.871
+ 1668TIP3    H256362   0.166  -2.389   3.988
+ 1668TIP3   OH256363   0.709  -2.366   4.007
+ 1668TIP3    H156364   0.742  -2.390   3.919
+ 1668TIP3    H256365   0.680  -2.451   4.043
+ 1668TIP3   OH256366   0.828  -2.369   3.615
+ 1668TIP3    H156367   0.747  -2.316   3.606
+ 1668TIP3    H256368   0.790  -2.458   3.627
+ 1668TIP3   OH256369  -0.239  -2.228   3.324
+ 1668TIP3    H156370  -0.177  -2.279   3.268
+ 1668TIP3    H256371  -0.178  -2.192   3.391
+ 1668TIP3   OH256372   0.269  -2.207   3.585
+ 1668TIP3    H156373   0.310  -2.261   3.654
+ 1668TIP3    H256374   0.291  -2.119   3.619
+ 1668TIP3   OH256375   0.476  -0.628   3.406
+ 1668TIP3    H156376   0.573  -0.626   3.401
+ 1668TIP3    H256377   0.456  -0.693   3.337
+ 1669TIP3   OH256378   1.124  -0.724   3.664
+ 1669TIP3    H156379   1.103  -0.809   3.620
+ 1669TIP3    H256380   1.125  -0.664   3.589
+ 1669TIP3   OH256381  -0.256  -0.723   3.282
+ 1669TIP3    H156382  -0.261  -0.679   3.368
+ 1669TIP3    H256383  -0.172  -0.772   3.287
+ 1669TIP3   OH256384   2.487  -1.484   3.925
+ 1669TIP3    H156385   2.496  -1.388   3.930
+ 1669TIP3    H256386   2.421  -1.493   3.855
+ 1669TIP3   OH256387   2.384  -1.544   4.247
+ 1669TIP3    H156388   2.381  -1.621   4.306
+ 1669TIP3    H256389   2.377  -1.584   4.159
+ 1669TIP3   OH256390   2.741  -1.268   4.038
+ 1669TIP3    H156391   2.702  -1.335   4.097
+ 1669TIP3    H256392   2.777  -1.209   4.107
+ 1669TIP3   OH256393   1.697  -1.121   4.247
+ 1669TIP3    H156394   1.672  -1.212   4.224
+ 1669TIP3    H256395   1.794  -1.135   4.256
+ 1669TIP3   OH256396   1.394  -1.771   3.778
+ 1669TIP3    H156397   1.351  -1.684   3.787
+ 1669TIP3    H256398   1.323  -1.824   3.741
+ 1669TIP3   OH256399   1.470  -1.535   3.977
+ 1669TIP3    H156400   1.491  -1.614   4.030
+ 1669TIP3    H256401   1.551  -1.525   3.926
+ 1669TIP3   OH256402   2.447  -0.728   4.113
+ 1669TIP3    H156403   2.510  -0.795   4.082
+ 1669TIP3    H256404   2.422  -0.758   4.201
+ 1669TIP3   OH256405   2.190  -1.316   4.280
+ 1669TIP3    H156406   2.233  -1.382   4.223
+ 1669TIP3    H256407   2.271  -1.279   4.320
+ 1670TIP3   OH256408   2.537  -1.842   4.322
+ 1670TIP3    H156409   2.582  -1.926   4.341
+ 1670TIP3    H256410   2.546  -1.833   4.226
+ 1670TIP3   OH256411   1.850  -2.053   4.043
+ 1670TIP3    H156412   1.867  -1.969   3.997
+ 1670TIP3    H256413   1.819  -2.106   3.967
+ 1670TIP3   OH256414   2.641  -2.032   3.870
+ 1670TIP3    H156415   2.698  -2.076   3.938
+ 1670TIP3    H256416   2.709  -1.990   3.815
+ 1670TIP3   OH256417   1.551  -1.787   4.100
+ 1670TIP3    H156418   1.592  -1.854   4.154
+ 1670TIP3    H256419   1.549  -1.831   4.013
+ 1670TIP3   OH256420   2.053  -1.646   4.057
+ 1670TIP3    H156421   2.130  -1.701   4.083
+ 1670TIP3    H256422   2.010  -1.704   3.991
+ 1670TIP3   OH256423   2.484  -1.198   3.793
+ 1670TIP3    H156424   2.456  -1.217   3.703
+ 1670TIP3    H256425   2.441  -1.113   3.811
+ 1670TIP3   OH256426   2.820  -2.112   4.072
+ 1670TIP3    H156427   2.797  -2.179   4.138
+ 1670TIP3    H256428   2.872  -2.051   4.128
+ 1670TIP3   OH256429   1.772  -1.963   4.297
+ 1670TIP3    H156430   1.759  -1.870   4.276
+ 1670TIP3    H256431   1.772  -2.006   4.209
+ 1670TIP3   OH256432   1.462  -1.226   3.627
+ 1670TIP3    H156433   1.441  -1.176   3.546
+ 1670TIP3    H256434   1.478  -1.156   3.693
+ 1670TIP3   OH256435   2.814  -1.135   4.258
+ 1670TIP3    H156436   2.753  -1.148   4.333
+ 1670TIP3    H256437   2.887  -1.089   4.300
+ 1671TIP3   OH256438   2.147  -2.415   4.178
+ 1671TIP3    H156439   2.143  -2.513   4.182
+ 1671TIP3    H256440   2.064  -2.390   4.222
+ 1671TIP3   OH256441   2.637  -0.886   3.963
+ 1671TIP3    H156442   2.684  -0.967   3.934
+ 1671TIP3    H256443   2.705  -0.818   3.945
+ 1671TIP3   OH256444   2.782  -1.102   3.821
+ 1671TIP3    H156445   2.730  -1.150   3.755
+ 1671TIP3    H256446   2.777  -1.164   3.896
+ 1671TIP3   OH256447   2.361  -1.528   3.643
+ 1671TIP3    H156448   2.296  -1.469   3.602
+ 1671TIP3    H256449   2.434  -1.526   3.578
+ 1671TIP3   OH256450   2.390  -1.710   3.347
+ 1671TIP3    H156451   2.460  -1.679   3.407
+ 1671TIP3    H256452   2.441  -1.768   3.289
+ 1671TIP3   OH256453   2.710  -1.530   3.750
+ 1671TIP3    H156454   2.646  -1.507   3.821
+ 1671TIP3    H256455   2.774  -1.585   3.800
+ 1671TIP3   OH256456   1.873  -1.448   3.926
+ 1671TIP3    H156457   1.837  -1.493   3.846
+ 1671TIP3    H256458   1.932  -1.516   3.963
+ 1671TIP3   OH256459   1.971  -1.138   4.159
+ 1671TIP3    H156460   1.996  -1.172   4.072
+ 1671TIP3    H256461   2.055  -1.139   4.207
+ 1671TIP3   OH256462   1.891  -1.567   4.272
+ 1671TIP3    H156463   1.955  -1.581   4.200
+ 1671TIP3    H256464   1.947  -1.540   4.345
+ 1671TIP3   OH256465   2.606  -1.582   3.494
+ 1671TIP3    H156466   2.654  -1.557   3.576
+ 1671TIP3    H256467   2.657  -1.531   3.426
+ 1672TIP3   OH256468   2.352  -0.924   3.853
+ 1672TIP3    H156469   2.402  -0.892   3.928
+ 1672TIP3    H256470   2.304  -0.846   3.823
+ 1672TIP3   OH256471   2.946  -2.417   3.453
+ 1672TIP3    H156472   2.863  -2.392   3.497
+ 1672TIP3    H256473   2.987  -2.330   3.435
+ 1672TIP3   OH256474   1.763  -1.576   3.682
+ 1672TIP3    H156475   1.743  -1.502   3.623
+ 1672TIP3    H256476   1.699  -1.643   3.653
+ 1672TIP3   OH256477   3.092  -0.996   3.293
+ 1672TIP3    H156478   3.108  -0.903   3.322
+ 1672TIP3    H256479   3.177  -1.038   3.318
+ 1672TIP3   OH256480   1.384  -1.034   4.238
+ 1672TIP3    H156481   1.480  -1.040   4.243
+ 1672TIP3    H256482   1.366  -0.953   4.287
+ 1672TIP3   OH256483   2.309  -0.653   3.699
+ 1672TIP3    H156484   2.309  -0.641   3.603
+ 1672TIP3    H256485   2.310  -0.562   3.733
+ 1672TIP3   OH256486   1.688  -0.739   3.862
+ 1672TIP3    H156487   1.703  -0.785   3.947
+ 1672TIP3    H256488   1.605  -0.778   3.833
+ 1672TIP3   OH256489   2.637  -0.711   3.416
+ 1672TIP3    H156490   2.695  -0.777   3.374
+ 1672TIP3    H256491   2.632  -0.747   3.507
+ 1672TIP3   OH256492   2.578  -0.767   3.697
+ 1672TIP3    H156493   2.483  -0.752   3.713
+ 1672TIP3    H256494   2.595  -0.839   3.761
+ 1672TIP3   OH256495   1.903  -2.326   4.291
+ 1672TIP3    H156496   1.820  -2.337   4.242
+ 1672TIP3    H256497   1.908  -2.230   4.306
+ 1673TIP3   OH256498   2.763  -1.475   3.295
+ 1673TIP3    H156499   2.744  -1.494   3.201
+ 1673TIP3    H256500   2.857  -1.453   3.291
+ 1673TIP3   OH256501   2.324  -2.097   3.345
+ 1673TIP3    H156502   2.277  -2.112   3.428
+ 1673TIP3    H256503   2.286  -2.167   3.289
+ 1673TIP3   OH256504   1.892  -1.820   3.884
+ 1673TIP3    H156505   1.796  -1.829   3.867
+ 1673TIP3    H256506   1.927  -1.843   3.795
+ 1673TIP3   OH256507   2.450  -1.765   3.763
+ 1673TIP3    H156508   2.409  -1.683   3.727
+ 1673TIP3    H256509   2.520  -1.782   3.698
+ 1673TIP3   OH256510   2.529  -1.824   4.042
+ 1673TIP3    H156511   2.502  -1.769   3.967
+ 1673TIP3    H256512   2.552  -1.906   3.993
+ 1673TIP3   OH256513   1.970  -2.054   3.235
+ 1673TIP3    H156514   1.934  -2.089   3.319
+ 1673TIP3    H256515   1.890  -2.040   3.182
+ 1673TIP3   OH256516   1.319  -2.060   3.942
+ 1673TIP3    H156517   1.374  -2.071   4.022
+ 1673TIP3    H256518   1.369  -2.107   3.873
+ 1673TIP3   OH256519   1.474  -2.023   3.513
+ 1673TIP3    H156520   1.528  -1.974   3.448
+ 1673TIP3    H256521   1.403  -1.958   3.532
+ 1673TIP3   OH256522   2.159  -2.058   3.984
+ 1673TIP3    H156523   2.066  -2.069   4.009
+ 1673TIP3    H256524   2.205  -2.085   4.065
+ 1673TIP3   OH256525   1.623  -1.939   3.854
+ 1673TIP3    H156526   1.541  -1.911   3.809
+ 1673TIP3    H256527   1.650  -2.017   3.803
+ 1674TIP3   OH256528   1.986  -1.906   3.622
+ 1674TIP3    H156529   2.083  -1.899   3.626
+ 1674TIP3    H256530   1.961  -1.847   3.548
+ 1674TIP3   OH256531   2.603  -2.194   4.279
+ 1674TIP3    H156532   2.568  -2.163   4.364
+ 1674TIP3    H256533   2.526  -2.190   4.220
+ 1674TIP3   OH256534   1.832  -1.783   3.399
+ 1674TIP3    H156535   1.773  -1.810   3.328
+ 1674TIP3    H256536   1.913  -1.762   3.349
+ 1674TIP3   OH256537   2.254  -1.822   4.193
+ 1674TIP3    H156538   2.326  -1.852   4.134
+ 1674TIP3    H256539   2.261  -1.886   4.265
+ 1674TIP3   OH256540   1.800  -2.166   3.787
+ 1674TIP3    H156541   1.744  -2.245   3.799
+ 1674TIP3    H256542   1.878  -2.203   3.744
+ 1674TIP3   OH256543   2.177  -1.322   3.582
+ 1674TIP3    H156544   2.102  -1.375   3.546
+ 1674TIP3    H256545   2.160  -1.322   3.679
+ 1674TIP3   OH256546   2.593  -2.042   3.362
+ 1674TIP3    H156547   2.495  -2.041   3.357
+ 1674TIP3    H256548   2.614  -1.968   3.422
+ 1674TIP3   OH256549   2.662  -1.857   3.567
+ 1674TIP3    H156550   2.750  -1.875   3.604
+ 1674TIP3    H256551   2.676  -1.771   3.523
+ 1674TIP3   OH256552   1.680  -1.410   4.176
+ 1674TIP3    H156553   1.736  -1.401   4.097
+ 1674TIP3    H256554   1.727  -1.482   4.222
+ 1674TIP3   OH256555   2.418  -1.187   3.474
+ 1674TIP3    H156556   2.392  -1.101   3.513
+ 1674TIP3    H256557   2.343  -1.243   3.502
+ 1675TIP3   OH256558   3.121  -1.861   3.538
+ 1675TIP3    H156559   3.065  -1.880   3.460
+ 1675TIP3    H256560   3.133  -1.765   3.525
+ 1675TIP3   OH256561   2.933  -1.002   3.540
+ 1675TIP3    H156562   2.920  -1.073   3.605
+ 1675TIP3    H256563   3.003  -1.036   3.483
+ 1675TIP3   OH256564   2.653  -1.446   4.246
+ 1675TIP3    H156565   2.565  -1.480   4.270
+ 1675TIP3    H256566   2.693  -1.523   4.201
+ 1675TIP3   OH256567   1.932  -1.058   3.873
+ 1675TIP3    H156568   1.972  -0.969   3.873
+ 1675TIP3    H256569   1.838  -1.037   3.864
+ 1675TIP3   OH256570   1.530  -1.576   3.351
+ 1675TIP3    H156571   1.587  -1.508   3.391
+ 1675TIP3    H256572   1.442  -1.550   3.385
+ 1675TIP3   OH256573   2.113  -1.287   3.863
+ 1675TIP3    H156574   2.080  -1.196   3.862
+ 1675TIP3    H256575   2.035  -1.336   3.893
+ 1675TIP3   OH256576   1.975  -0.765   3.813
+ 1675TIP3    H156577   1.879  -0.750   3.819
+ 1675TIP3    H256578   2.010  -0.678   3.839
+ 1675TIP3   OH256579   2.686  -1.156   3.336
+ 1675TIP3    H156580   2.731  -1.199   3.411
+ 1675TIP3    H256581   2.594  -1.171   3.363
+ 1675TIP3   OH256582   3.159  -0.729   3.387
+ 1675TIP3    H156583   3.231  -0.664   3.373
+ 1675TIP3    H256584   3.084  -0.667   3.389
+ 1675TIP3   OH256585   2.785  -1.296   3.574
+ 1675TIP3    H156586   2.759  -1.367   3.635
+ 1675TIP3    H256587   2.882  -1.296   3.584
+ 1676TIP3   OH256588   2.112  -1.051   3.193
+ 1676TIP3    H156589   2.141  -1.131   3.145
+ 1676TIP3    H256590   2.069  -1.090   3.271
+ 1676TIP3   OH256591   1.997  -1.099   3.464
+ 1676TIP3    H156592   2.047  -1.152   3.527
+ 1676TIP3    H256593   2.011  -1.008   3.498
+ 1676TIP3   OH256594   1.681  -1.355   3.505
+ 1676TIP3    H156595   1.608  -1.317   3.557
+ 1676TIP3    H256596   1.727  -1.274   3.477
+ 1676TIP3   OH256597   2.510  -2.164   3.632
+ 1676TIP3    H156598   2.530  -2.112   3.553
+ 1676TIP3    H256599   2.556  -2.113   3.701
+ 1676TIP3   OH256600   2.291  -0.938   3.528
+ 1676TIP3    H156601   2.210  -0.888   3.546
+ 1676TIP3    H256602   2.328  -0.889   3.453
+ 1676TIP3   OH256603   2.252  -1.965   3.726
+ 1676TIP3    H156604   2.328  -1.906   3.741
+ 1676TIP3    H256605   2.222  -1.983   3.817
+ 1676TIP3   OH256606   2.308  -2.264   3.819
+ 1676TIP3    H156607   2.294  -2.199   3.890
+ 1676TIP3    H256608   2.383  -2.224   3.771
+ 1676TIP3   OH256609   2.011  -0.829   3.528
+ 1676TIP3    H156610   2.005  -0.748   3.474
+ 1676TIP3    H256611   1.998  -0.795   3.618
+ 1676TIP3   OH256612   1.884  -2.163   3.475
+ 1676TIP3    H156613   1.885  -2.086   3.534
+ 1676TIP3    H256614   1.966  -2.209   3.503
+ 1676TIP3   OH256615   2.760  -1.685   4.141
+ 1676TIP3    H156616   2.683  -1.733   4.107
+ 1676TIP3    H256617   2.818  -1.759   4.172
+ 1677TIP3   OH256618   1.724  -1.074   3.381
+ 1677TIP3    H156619   1.797  -1.026   3.421
+ 1677TIP3    H256620   1.773  -1.125   3.314
+ 1677TIP3   OH256621   1.538  -1.856   3.293
+ 1677TIP3    H156622   1.549  -1.762   3.316
+ 1677TIP3    H256623   1.451  -1.856   3.252
+ 1677TIP3   OH256624   2.894  -0.710   4.317
+ 1677TIP3    H156625   2.834  -0.718   4.243
+ 1677TIP3    H256626   2.979  -0.739   4.283
+ 1677TIP3   OH256627   1.628  -2.356   4.172
+ 1677TIP3    H156628   1.612  -2.352   4.075
+ 1677TIP3    H256629   1.591  -2.442   4.195
+ 1677TIP3   OH256630   1.519  -1.005   3.799
+ 1677TIP3    H156631   1.442  -0.952   3.824
+ 1677TIP3    H256632   1.557  -0.952   3.728
+ 1677TIP3   OH256633   2.334  -0.880   3.242
+ 1677TIP3    H156634   2.258  -0.942   3.234
+ 1677TIP3    H256635   2.405  -0.937   3.207
+ 1677TIP3   OH256636   2.798  -0.891   3.252
+ 1677TIP3    H156637   2.812  -0.969   3.310
+ 1677TIP3    H256638   2.881  -0.889   3.202
+ 1677TIP3   OH256639   1.877  -1.307   3.227
+ 1677TIP3    H156640   1.892  -1.366   3.302
+ 1677TIP3    H256641   1.963  -1.312   3.182
+ 1677TIP3   OH256642   2.400  -1.174   3.188
+ 1677TIP3    H156643   2.397  -1.179   3.286
+ 1677TIP3    H256644   2.396  -1.270   3.167
+ 1677TIP3   OH256645   1.987  -1.499   3.463
+ 1677TIP3    H156646   1.924  -1.551   3.516
+ 1677TIP3    H256647   2.016  -1.567   3.398
+ 1678TIP3   OH256648   2.081  -1.697   3.288
+ 1678TIP3    H156649   2.076  -1.691   3.191
+ 1678TIP3    H256650   2.177  -1.702   3.302
+ 1678TIP3   OH256651   3.033  -1.449   3.216
+ 1678TIP3    H156652   3.015  -1.487   3.129
+ 1678TIP3    H256653   3.024  -1.353   3.196
+ 1678TIP3   OH256654   2.058  -0.576   3.396
+ 1678TIP3    H156655   2.153  -0.562   3.409
+ 1678TIP3    H256656   2.043  -0.529   3.313
+ 1678TIP3   OH256657   1.448  -1.134   3.350
+ 1678TIP3    H156658   1.544  -1.116   3.363
+ 1678TIP3    H256659   1.450  -1.213   3.292
+ 1678TIP3   OH256660   1.351  -0.618   3.821
+ 1678TIP3    H156661   1.276  -0.654   3.770
+ 1678TIP3    H256662   1.358  -0.684   3.893
+ 1678TIP3   OH256663   1.387  -0.816   4.019
+ 1678TIP3    H156664   1.361  -0.905   4.048
+ 1678TIP3    H256665   1.415  -0.779   4.105
+ 1678TIP3   OH256666   3.169  -0.662   4.277
+ 1678TIP3    H156667   3.151  -0.687   4.369
+ 1678TIP3    H256668   3.265  -0.677   4.273
+ 1678TIP3   OH256669   3.075  -1.308   3.613
+ 1678TIP3    H156670   3.164  -1.271   3.631
+ 1678TIP3    H256671   3.067  -1.371   3.687
+ 1678TIP3   OH256672   3.119  -1.514   3.812
+ 1678TIP3    H156673   3.052  -1.569   3.855
+ 1678TIP3    H256674   3.187  -1.503   3.882
+ 1678TIP3   OH256675   3.089  -1.281   4.327
+ 1678TIP3    H156676   3.153  -1.335   4.279
+ 1678TIP3    H256677   3.101  -1.193   4.288
+ 1679TIP3   OH256678   3.143  -1.569   3.469
+ 1679TIP3    H156679   3.092  -1.540   3.391
+ 1679TIP3    H256680   3.130  -1.493   3.529
+ 1679TIP3   OH256681   2.968  -1.808   3.296
+ 1679TIP3    H156682   2.996  -1.758   3.218
+ 1679TIP3    H256683   2.943  -1.895   3.257
+ 1679TIP3   OH256684   2.905  -1.699   3.892
+ 1679TIP3    H156685   2.903  -1.795   3.878
+ 1679TIP3    H256686   2.873  -1.690   3.983
+ 1679TIP3   OH256687   1.396  -1.523   4.263
+ 1679TIP3    H156688   1.429  -1.488   4.179
+ 1679TIP3    H256689   1.475  -1.515   4.320
+ 1679TIP3   OH256690   2.910  -2.072   3.234
+ 1679TIP3    H156691   2.984  -2.135   3.241
+ 1679TIP3    H256692   2.842  -2.128   3.194
+ 1679TIP3   OH256693   2.897  -1.950   3.712
+ 1679TIP3    H156694   2.922  -2.045   3.715
+ 1679TIP3    H256695   2.977  -1.914   3.669
+ 1679TIP3   OH256696   2.919  -1.884   4.219
+ 1679TIP3    H156697   3.015  -1.885   4.234
+ 1679TIP3    H256698   2.884  -1.899   4.308
+ 1679TIP3   OH256699   2.943  -2.227   3.709
+ 1679TIP3    H156700   2.956  -2.261   3.799
+ 1679TIP3    H256701   2.864  -2.277   3.680
+ 1679TIP3   OH256702   1.470  -2.099   4.192
+ 1679TIP3    H156703   1.498  -2.191   4.203
+ 1679TIP3    H256704   1.527  -2.055   4.255
+ 1679TIP3   OH256705   1.313  -1.812   4.302
+ 1679TIP3    H156706   1.350  -1.847   4.220
+ 1679TIP3    H256707   1.337  -1.717   4.295
+ 1680TIP3   OH256708   3.155  -2.206   3.375
+ 1680TIP3    H156709   3.161  -2.255   3.290
+ 1680TIP3    H256710   3.228  -2.144   3.366
+ 1680TIP3   OH256711   1.366  -2.211   3.692
+ 1680TIP3    H156712   1.271  -2.204   3.673
+ 1680TIP3    H256713   1.406  -2.148   3.628
+ 1680TIP3   OH256714   2.831  -0.683   3.908
+ 1680TIP3    H156715   2.873  -0.709   3.823
+ 1680TIP3    H256716   2.904  -0.636   3.949
+ 1680TIP3   OH256717   1.531  -0.780   4.262
+ 1680TIP3    H156718   1.568  -0.775   4.353
+ 1680TIP3    H256719   1.613  -0.798   4.213
+ 1680TIP3   OH256720   1.752  -0.865   4.116
+ 1680TIP3    H156721   1.742  -0.959   4.142
+ 1680TIP3    H256722   1.844  -0.848   4.146
+ 1680TIP3   OH256723   2.019  -0.818   4.213
+ 1680TIP3    H156724   2.053  -0.904   4.183
+ 1680TIP3    H256725   2.033  -0.825   4.308
+ 1680TIP3   OH256726   2.356  -2.218   4.128
+ 1680TIP3    H156727   2.296  -2.290   4.154
+ 1680TIP3    H256728   2.424  -2.266   4.077
+ 1680TIP3   OH256729   2.855  -2.403   4.136
+ 1680TIP3    H156730   2.921  -2.357   4.082
+ 1680TIP3    H256731   2.771  -2.381   4.092
+ 1680TIP3   OH256732   3.060  -2.312   3.960
+ 1680TIP3    H156733   3.134  -2.354   3.912
+ 1680TIP3    H256734   3.095  -2.221   3.973
+ 1680TIP3   OH256735   1.595  -2.356   3.889
+ 1680TIP3    H156736   1.509  -2.369   3.843
+ 1680TIP3    H256737   1.638  -2.441   3.873
+ 1681TIP3   OH256738   1.478  -2.407   3.477
+ 1681TIP3    H156739   1.527  -2.341   3.426
+ 1681TIP3    H256740   1.435  -2.353   3.545
+ 1681TIP3   OH256741   2.046  -2.381   3.891
+ 1681TIP3    H156742   2.134  -2.344   3.872
+ 1681TIP3    H256743   2.049  -2.389   3.987
+ 1681TIP3   OH256744   2.595  -2.366   4.005
+ 1681TIP3    H156745   2.623  -2.391   3.916
+ 1681TIP3    H256746   2.563  -2.451   4.040
+ 1681TIP3   OH256747   2.711  -2.369   3.619
+ 1681TIP3    H156748   2.630  -2.317   3.603
+ 1681TIP3    H256749   2.675  -2.459   3.625
+ 1681TIP3   OH256750   1.495  -0.811   3.593
+ 1681TIP3    H156751   1.431  -0.823   3.521
+ 1681TIP3    H256752   1.493  -0.715   3.603
+ 1681TIP3   OH256753   1.647  -2.226   3.321
+ 1681TIP3    H156754   1.709  -2.280   3.269
+ 1681TIP3    H256755   1.706  -2.191   3.391
+ 1681TIP3   OH256756   2.155  -2.208   3.584
+ 1681TIP3    H156757   2.195  -2.262   3.655
+ 1681TIP3    H256758   2.176  -2.119   3.618
+ 1681TIP3   OH256759   2.362  -0.627   3.404
+ 1681TIP3    H156760   2.459  -0.627   3.401
+ 1681TIP3    H256761   2.342  -0.694   3.336
+ 1681TIP3   OH256762   3.007  -0.723   3.664
+ 1681TIP3    H156763   2.991  -0.808   3.620
+ 1681TIP3    H256764   3.012  -0.663   3.589
+ 1681TIP3   OH256765   1.638  -0.716   3.273
+ 1681TIP3    H156766   1.614  -0.688   3.362
+ 1681TIP3    H256767   1.715  -0.772   3.288
+ 1682TIP3   OH256768   4.290  -1.528   4.228
+ 1682TIP3    H156769   4.267  -1.586   4.303
+ 1682TIP3    H256770   4.262  -1.583   4.151
+ 1682TIP3   OH256771   3.579  -1.119   4.240
+ 1682TIP3    H156772   3.561  -1.213   4.224
+ 1682TIP3    H256773   3.674  -1.125   4.261
+ 1682TIP3   OH256774   3.280  -1.775   3.777
+ 1682TIP3    H156775   3.241  -1.686   3.788
+ 1682TIP3    H256776   3.207  -1.823   3.736
+ 1682TIP3   OH256777   3.353  -1.539   3.972
+ 1682TIP3    H156778   3.378  -1.613   4.030
+ 1682TIP3    H256779   3.438  -1.518   3.932
+ 1682TIP3   OH256780   4.059  -1.314   4.278
+ 1682TIP3    H156781   4.101  -1.380   4.221
+ 1682TIP3    H256782   4.135  -1.280   4.329
+ 1682TIP3   OH256783   3.742  -2.056   4.040
+ 1682TIP3    H156784   3.755  -1.968   4.000
+ 1682TIP3    H256785   3.705  -2.104   3.963
+ 1682TIP3   OH256786   3.430  -1.789   4.100
+ 1682TIP3    H156787   3.480  -1.850   4.154
+ 1682TIP3    H256788   3.434  -1.832   4.013
+ 1682TIP3   OH256789   3.936  -1.646   4.065
+ 1682TIP3    H156790   4.021  -1.694   4.077
+ 1682TIP3    H256791   3.896  -1.702   3.995
+ 1682TIP3   OH256792   3.667  -1.961   4.300
+ 1682TIP3    H156793   3.644  -1.870   4.281
+ 1682TIP3    H256794   3.655  -2.007   4.214
+ 1682TIP3   OH256795   3.346  -1.212   3.635
+ 1682TIP3    H156796   3.331  -1.163   3.553
+ 1682TIP3    H256797   3.373  -1.140   3.697
+ 1683TIP3   OH256798   4.036  -2.416   4.176
+ 1683TIP3    H156799   4.025  -2.512   4.183
+ 1683TIP3    H256800   3.955  -2.384   4.220
+ 1683TIP3   OH256801   4.287  -1.692   3.343
+ 1683TIP3    H156802   4.350  -1.696   3.417
+ 1683TIP3    H256803   4.294  -1.780   3.304
+ 1683TIP3   OH256804   3.761  -1.448   3.925
+ 1683TIP3    H156805   3.726  -1.495   3.847
+ 1683TIP3    H256806   3.819  -1.514   3.966
+ 1683TIP3   OH256807   3.878  -1.120   4.161
+ 1683TIP3    H156808   3.879  -1.158   4.072
+ 1683TIP3    H256809   3.951  -1.167   4.203
+ 1683TIP3   OH256810   3.770  -1.582   4.274
+ 1683TIP3    H156811   3.838  -1.589   4.204
+ 1683TIP3    H256812   3.821  -1.546   4.348
+ 1683TIP3   OH256813   4.259  -0.929   3.848
+ 1683TIP3    H156814   4.301  -0.868   3.911
+ 1683TIP3    H256815   4.205  -0.868   3.796
+ 1683TIP3   OH256816   3.652  -1.580   3.679
+ 1683TIP3    H156817   3.631  -1.502   3.625
+ 1683TIP3    H256818   3.581  -1.641   3.653
+ 1683TIP3   OH256819   3.269  -1.033   4.238
+ 1683TIP3    H156820   3.365  -1.044   4.240
+ 1683TIP3    H256821   3.257  -0.950   4.286
+ 1683TIP3   OH256822   4.205  -0.654   3.706
+ 1683TIP3    H156823   4.196  -0.651   3.610
+ 1683TIP3    H256824   4.208  -0.561   3.732
+ 1683TIP3   OH256825   3.792  -2.325   4.290
+ 1683TIP3    H156826   3.706  -2.337   4.244
+ 1683TIP3    H256827   3.793  -2.230   4.309
+ 1684TIP3   OH256828   4.231  -2.094   3.346
+ 1684TIP3    H156829   4.174  -2.106   3.423
+ 1684TIP3    H256830   4.197  -2.162   3.286
+ 1684TIP3   OH256831   3.776  -1.822   3.884
+ 1684TIP3    H156832   3.681  -1.829   3.868
+ 1684TIP3    H256833   3.811  -1.840   3.795
+ 1684TIP3   OH256834   3.864  -2.055   3.234
+ 1684TIP3    H156835   3.823  -2.088   3.317
+ 1684TIP3    H256836   3.785  -2.038   3.180
+ 1684TIP3   OH256837   3.200  -2.066   3.945
+ 1684TIP3    H156838   3.261  -2.069   4.021
+ 1684TIP3    H256839   3.252  -2.104   3.872
+ 1684TIP3   OH256840   3.361  -2.022   3.514
+ 1684TIP3    H156841   3.412  -1.975   3.446
+ 1684TIP3    H256842   3.287  -1.962   3.529
+ 1684TIP3   OH256843   4.046  -2.075   3.981
+ 1684TIP3    H156844   3.952  -2.071   4.004
+ 1684TIP3    H256845   4.085  -2.065   4.069
+ 1684TIP3   OH256846   3.507  -1.940   3.854
+ 1684TIP3    H156847   3.426  -1.910   3.809
+ 1684TIP3    H256848   3.534  -2.018   3.802
+ 1684TIP3   OH256849   3.884  -1.914   3.617
+ 1684TIP3    H156850   3.975  -1.882   3.626
+ 1684TIP3    H256851   3.845  -1.852   3.552
+ 1684TIP3   OH256852   3.723  -1.789   3.400
+ 1684TIP3    H156853   3.661  -1.810   3.328
+ 1684TIP3    H256854   3.803  -1.766   3.350
+ 1684TIP3   OH256855   4.125  -1.840   4.163
+ 1684TIP3    H156856   4.195  -1.857   4.098
+ 1684TIP3    H256857   4.162  -1.877   4.244
+ 1685TIP3   OH256858   3.684  -2.166   3.783
+ 1685TIP3    H156859   3.627  -2.243   3.800
+ 1685TIP3    H256860   3.764  -2.208   3.747
+ 1685TIP3   OH256861   4.080  -1.338   3.581
+ 1685TIP3    H156862   4.004  -1.389   3.547
+ 1685TIP3    H256863   4.070  -1.345   3.677
+ 1685TIP3   OH256864   3.560  -1.422   4.171
+ 1685TIP3    H156865   3.623  -1.401   4.100
+ 1685TIP3    H256866   3.615  -1.482   4.226
+ 1685TIP3   OH256867   4.288  -1.186   3.483
+ 1685TIP3    H156868   4.250  -1.103   3.517
+ 1685TIP3    H256869   4.219  -1.250   3.513
+ 1685TIP3   OH256870   3.825  -1.041   3.879
+ 1685TIP3    H156871   3.865  -0.958   3.851
+ 1685TIP3    H256872   3.734  -1.023   3.848
+ 1685TIP3   OH256873   3.415  -1.576   3.351
+ 1685TIP3    H156874   3.473  -1.508   3.391
+ 1685TIP3    H256875   3.328  -1.549   3.386
+ 1685TIP3   OH256876   3.995  -1.274   3.869
+ 1685TIP3    H156877   3.953  -1.186   3.863
+ 1685TIP3    H256878   3.920  -1.332   3.889
+ 1685TIP3   OH256879   3.991  -1.049   3.190
+ 1685TIP3    H156880   4.031  -1.128   3.148
+ 1685TIP3    H256881   3.961  -1.087   3.275
+ 1685TIP3   OH256882   3.898  -1.089   3.477
+ 1685TIP3    H156883   3.933  -1.144   3.549
+ 1685TIP3    H256884   3.882  -1.005   3.523
+ 1685TIP3   OH256885   3.560  -1.353   3.506
+ 1685TIP3    H156886   3.492  -1.313   3.562
+ 1685TIP3    H256887   3.609  -1.273   3.478
+ 1686TIP3   OH256888   4.155  -0.926   3.527
+ 1686TIP3    H156889   4.078  -0.869   3.548
+ 1686TIP3    H256890   4.200  -0.876   3.459
+ 1686TIP3   OH256891   4.162  -1.954   3.734
+ 1686TIP3    H156892   4.206  -1.878   3.775
+ 1686TIP3    H256893   4.115  -1.988   3.812
+ 1686TIP3   OH256894   4.192  -2.266   3.844
+ 1686TIP3    H156895   4.164  -2.187   3.897
+ 1686TIP3    H256896   4.271  -2.232   3.799
+ 1686TIP3   OH256897   3.770  -2.161   3.471
+ 1686TIP3    H156898   3.768  -2.086   3.533
+ 1686TIP3    H256899   3.850  -2.209   3.499
+ 1686TIP3   OH256900   3.611  -1.077   3.379
+ 1686TIP3    H156901   3.667  -1.016   3.431
+ 1686TIP3    H256902   3.677  -1.123   3.325
+ 1686TIP3   OH256903   3.424  -1.854   3.288
+ 1686TIP3    H156904   3.432  -1.761   3.314
+ 1686TIP3    H256905   3.333  -1.859   3.255
+ 1686TIP3   OH256906   3.513  -2.357   4.172
+ 1686TIP3    H156907   3.497  -2.353   4.076
+ 1686TIP3    H256908   3.479  -2.444   4.196
+ 1686TIP3   OH256909   3.427  -0.995   3.802
+ 1686TIP3    H156910   3.356  -0.933   3.823
+ 1686TIP3    H256911   3.485  -0.938   3.748
+ 1686TIP3   OH256912   4.231  -0.882   3.225
+ 1686TIP3    H156913   4.148  -0.934   3.228
+ 1686TIP3    H256914   4.295  -0.955   3.213
+ 1686TIP3   OH256915   3.764  -1.307   3.228
+ 1686TIP3    H156916   3.780  -1.365   3.305
+ 1686TIP3    H256917   3.851  -1.309   3.185
+ 1687TIP3   OH256918   4.257  -1.174   3.184
+ 1687TIP3    H156919   4.276  -1.163   3.279
+ 1687TIP3    H256920   4.243  -1.270   3.179
+ 1687TIP3   OH256921   3.867  -1.497   3.454
+ 1687TIP3    H156922   3.810  -1.546   3.515
+ 1687TIP3    H256923   3.902  -1.569   3.397
+ 1687TIP3   OH256924   3.981  -1.701   3.290
+ 1687TIP3    H156925   3.971  -1.691   3.194
+ 1687TIP3    H256926   4.076  -1.685   3.302
+ 1687TIP3   OH256927   3.960  -0.567   3.419
+ 1687TIP3    H156928   4.052  -0.590   3.409
+ 1687TIP3    H256929   3.929  -0.562   3.328
+ 1687TIP3   OH256930   3.334  -1.133   3.348
+ 1687TIP3    H156931   3.429  -1.115   3.368
+ 1687TIP3    H256932   3.340  -1.214   3.294
+ 1687TIP3   OH256933   3.233  -0.612   3.826
+ 1687TIP3    H156934   3.164  -0.653   3.771
+ 1687TIP3    H256935   3.247  -0.682   3.894
+ 1687TIP3   OH256936   3.266  -0.811   4.022
+ 1687TIP3    H156937   3.247  -0.903   4.047
+ 1687TIP3    H256938   3.305  -0.780   4.105
+ 1687TIP3   OH256939   3.278  -1.508   4.260
+ 1687TIP3    H156940   3.316  -1.481   4.174
+ 1687TIP3    H256941   3.359  -1.515   4.314
+ 1687TIP3   OH256942   3.356  -2.099   4.190
+ 1687TIP3    H156943   3.386  -2.190   4.205
+ 1687TIP3    H256944   3.407  -2.053   4.258
+ 1687TIP3   OH256945   3.193  -1.811   4.302
+ 1687TIP3    H156946   3.239  -1.847   4.224
+ 1687TIP3    H256947   3.224  -1.719   4.300
+ 1688TIP3   OH256948   3.251  -2.207   3.695
+ 1688TIP3    H156949   3.156  -2.205   3.671
+ 1688TIP3    H256950   3.291  -2.151   3.626
+ 1688TIP3   OH256951   3.413  -0.778   4.265
+ 1688TIP3    H156952   3.457  -0.781   4.352
+ 1688TIP3    H256953   3.492  -0.800   4.209
+ 1688TIP3   OH256954   3.627  -0.850   4.120
+ 1688TIP3    H156955   3.617  -0.947   4.115
+ 1688TIP3    H256956   3.723  -0.840   4.124
+ 1688TIP3   OH256957   3.916  -0.816   4.213
+ 1688TIP3    H156958   3.923  -0.908   4.181
+ 1688TIP3    H256959   3.909  -0.831   4.308
+ 1688TIP3   OH256960   4.274  -2.255   4.135
+ 1688TIP3    H156961   4.193  -2.302   4.159
+ 1688TIP3    H256962   4.293  -2.294   4.049
+ 1688TIP3   OH256963   3.481  -2.355   3.888
+ 1688TIP3    H156964   3.395  -2.367   3.843
+ 1688TIP3    H256965   3.523  -2.442   3.872
+ 1688TIP3   OH256966   3.369  -2.409   3.478
+ 1688TIP3    H156967   3.414  -2.340   3.424
+ 1688TIP3    H256968   3.315  -2.354   3.537
+ 1688TIP3   OH256969   3.935  -2.378   3.886
+ 1688TIP3    H156970   4.026  -2.344   3.876
+ 1688TIP3    H256971   3.930  -2.386   3.982
+ 1688TIP3   OH256972   3.352  -0.819   3.588
+ 1688TIP3    H156973   3.296  -0.809   3.510
+ 1688TIP3    H256974   3.390  -0.732   3.600
+ 1688TIP3   OH256975   3.533  -2.225   3.321
+ 1688TIP3    H156976   3.595  -2.278   3.267
+ 1688TIP3    H256977   3.593  -2.191   3.390
+ 1689TIP3   OH256978   4.072  -2.201   3.580
+ 1689TIP3    H156979   4.067  -2.259   3.658
+ 1689TIP3    H256980   4.051  -2.114   3.620
+ 1689TIP3   OH256981   4.263  -0.645   3.398
+ 1689TIP3    H156982   4.353  -0.612   3.383
+ 1689TIP3    H256983   4.251  -0.706   3.324
+ 1689TIP3   OH256984   3.528  -0.714   3.277
+ 1689TIP3    H156985   3.504  -0.694   3.369
+ 1689TIP3    H256986   3.603  -0.774   3.292
+ 1689TIP3   OH256987  -3.168   0.402   3.923
+ 1689TIP3    H156988  -3.161   0.498   3.930
+ 1689TIP3    H256989  -3.237   0.393   3.855
+ 1689TIP3   OH256990  -3.276   0.343   4.247
+ 1689TIP3    H156991  -3.277   0.268   4.309
+ 1689TIP3    H256992  -3.280   0.299   4.161
+ 1689TIP3   OH256993  -2.921   0.621   4.036
+ 1689TIP3    H156994  -2.957   0.552   4.093
+ 1689TIP3    H256995  -2.876   0.672   4.107
+ 1689TIP3   OH256996  -3.954   0.766   4.244
+ 1689TIP3    H156997  -3.986   0.677   4.224
+ 1689TIP3    H256998  -3.859   0.747   4.253
+ 1689TIP3   OH256999  -4.220   0.147   3.651
+ 1689TIP3    H157000  -4.246   0.220   3.708
+ 1689TIP3    H257001  -4.296   0.088   3.657
+ 1689TIP3   OH257002  -4.202   0.333   3.948
+ 1689TIP3    H157003  -4.179   0.278   4.024
+ 1689TIP3    H257004  -4.120   0.381   3.931
+ 1689TIP3   OH257005  -3.208   1.162   4.114
+ 1689TIP3    H157006  -3.149   1.094   4.078
+ 1689TIP3    H257007  -3.235   1.125   4.200
+ 1690TIP3   OH257008  -3.467   0.572   4.278
+ 1690TIP3    H157009  -3.424   0.502   4.225
+ 1690TIP3    H257010  -3.386   0.607   4.321
+ 1690TIP3   OH257011  -3.117   0.046   4.321
+ 1690TIP3    H157012  -3.075  -0.038   4.344
+ 1690TIP3    H257013  -3.110   0.049   4.224
+ 1690TIP3   OH257014  -3.809  -0.167   4.043
+ 1690TIP3    H157015  -3.788  -0.084   3.996
+ 1690TIP3    H257016  -3.840  -0.222   3.968
+ 1690TIP3   OH257017  -3.017  -0.148   3.865
+ 1690TIP3    H157018  -2.965  -0.188   3.939
+ 1690TIP3    H257019  -2.946  -0.104   3.816
+ 1690TIP3   OH257020  -4.120   0.101   4.102
+ 1690TIP3    H157021  -4.078   0.044   4.168
+ 1690TIP3    H257022  -4.108   0.048   4.022
+ 1690TIP3   OH257023  -3.603   0.240   4.056
+ 1690TIP3    H157024  -3.527   0.185   4.083
+ 1690TIP3    H257025  -3.647   0.180   3.992
+ 1690TIP3   OH257026  -3.169   0.689   3.792
+ 1690TIP3    H157027  -3.203   0.666   3.705
+ 1690TIP3    H257028  -3.215   0.773   3.811
+ 1690TIP3   OH257029  -2.843  -0.206   4.067
+ 1690TIP3    H157030  -2.844  -0.296   4.107
+ 1690TIP3    H257031  -2.791  -0.160   4.135
+ 1690TIP3   OH257032  -3.877  -0.076   4.298
+ 1690TIP3    H157033  -3.900   0.015   4.279
+ 1690TIP3    H257034  -3.884  -0.120   4.210
+ 1690TIP3   OH257035  -4.183   0.651   3.630
+ 1690TIP3    H157036  -4.263   0.670   3.578
+ 1690TIP3    H257037  -4.190   0.714   3.704
+ 1691TIP3   OH257038  -2.832   0.695   4.279
+ 1691TIP3    H157039  -2.897   0.715   4.348
+ 1691TIP3    H257040  -2.787   0.781   4.267
+ 1691TIP3   OH257041  -3.510  -0.531   4.177
+ 1691TIP3    H157042  -3.514  -0.628   4.183
+ 1691TIP3    H257043  -3.593  -0.505   4.222
+ 1691TIP3   OH257044  -3.028   1.000   3.956
+ 1691TIP3    H157045  -2.978   0.918   3.938
+ 1691TIP3    H257046  -2.955   1.065   3.954
+ 1691TIP3   OH257047  -2.871   0.781   3.816
+ 1691TIP3    H157048  -2.931   0.735   3.756
+ 1691TIP3    H257049  -2.878   0.723   3.895
+ 1691TIP3   OH257050  -3.296   0.359   3.642
+ 1691TIP3    H157051  -3.362   0.417   3.600
+ 1691TIP3    H257052  -3.223   0.360   3.578
+ 1691TIP3   OH257053  -3.267   0.177   3.346
+ 1691TIP3    H157054  -3.197   0.207   3.407
+ 1691TIP3    H257055  -3.217   0.117   3.289
+ 1691TIP3   OH257056  -2.946   0.356   3.750
+ 1691TIP3    H157057  -3.011   0.379   3.820
+ 1691TIP3    H257058  -2.884   0.300   3.800
+ 1691TIP3   OH257059  -3.780   0.438   3.924
+ 1691TIP3    H157060  -3.818   0.392   3.846
+ 1691TIP3    H257061  -3.724   0.370   3.963
+ 1691TIP3   OH257062  -3.681   0.753   4.157
+ 1691TIP3    H157063  -3.660   0.712   4.072
+ 1691TIP3    H257064  -3.599   0.742   4.206
+ 1691TIP3   OH257065  -3.767   0.322   4.269
+ 1691TIP3    H157066  -3.697   0.304   4.202
+ 1691TIP3    H257067  -3.714   0.340   4.348
+ 1692TIP3   OH257068  -3.050   0.303   3.494
+ 1692TIP3    H157069  -3.003   0.329   3.576
+ 1692TIP3    H257070  -2.999   0.354   3.427
+ 1692TIP3   OH257071  -3.310   0.960   3.854
+ 1692TIP3    H157072  -3.248   0.990   3.922
+ 1692TIP3    H257073  -3.353   1.041   3.826
+ 1692TIP3   OH257074  -2.705  -0.525   3.444
+ 1692TIP3    H157075  -2.793  -0.516   3.485
+ 1692TIP3    H257076  -2.670  -0.434   3.451
+ 1692TIP3   OH257077  -3.894   0.309   3.681
+ 1692TIP3    H157078  -3.917   0.384   3.623
+ 1692TIP3    H257079  -3.958   0.242   3.654
+ 1692TIP3   OH257080  -2.566   0.890   3.294
+ 1692TIP3    H157081  -2.551   0.983   3.322
+ 1692TIP3    H257082  -2.480   0.849   3.317
+ 1692TIP3   OH257083  -4.290   0.869   4.215
+ 1692TIP3    H157084  -4.210   0.822   4.241
+ 1692TIP3    H257085  -4.303   0.923   4.294
+ 1692TIP3   OH257086  -3.352   1.234   3.699
+ 1692TIP3    H157087  -3.346   1.244   3.603
+ 1692TIP3    H257088  -3.345   1.325   3.732
+ 1692TIP3   OH257089  -3.978   1.146   3.863
+ 1692TIP3    H157090  -3.952   1.104   3.948
+ 1692TIP3    H257091  -4.056   1.093   3.842
+ 1692TIP3   OH257092  -3.022   1.174   3.417
+ 1692TIP3    H157093  -2.961   1.110   3.375
+ 1692TIP3    H257094  -3.025   1.138   3.509
+ 1692TIP3   OH257095  -3.081   1.117   3.695
+ 1692TIP3    H157096  -3.175   1.130   3.715
+ 1692TIP3    H257097  -3.057   1.052   3.763
+ 1693TIP3   OH257098  -3.753  -0.441   4.291
+ 1693TIP3    H157099  -3.836  -0.456   4.242
+ 1693TIP3    H257100  -3.753  -0.345   4.306
+ 1693TIP3   OH257101  -2.894   0.410   3.295
+ 1693TIP3    H157102  -2.913   0.391   3.201
+ 1693TIP3    H257103  -2.800   0.434   3.290
+ 1693TIP3   OH257104  -3.331  -0.213   3.345
+ 1693TIP3    H157105  -3.378  -0.228   3.428
+ 1693TIP3    H257106  -3.371  -0.281   3.288
+ 1693TIP3   OH257107  -3.767   0.065   3.883
+ 1693TIP3    H157108  -3.863   0.057   3.865
+ 1693TIP3    H257109  -3.731   0.043   3.795
+ 1693TIP3   OH257110  -3.207   0.122   3.763
+ 1693TIP3    H157111  -3.248   0.203   3.727
+ 1693TIP3    H257112  -3.137   0.104   3.697
+ 1693TIP3   OH257113  -3.128   0.061   4.042
+ 1693TIP3    H157114  -3.155   0.116   3.965
+ 1693TIP3    H257115  -3.105  -0.022   3.995
+ 1693TIP3   OH257116  -3.689  -0.161   3.240
+ 1693TIP3    H157117  -3.725  -0.205   3.319
+ 1693TIP3    H257118  -3.766  -0.158   3.182
+ 1693TIP3   OH257119  -4.316  -0.161   3.937
+ 1693TIP3    H157120  -4.300  -0.185   4.030
+ 1693TIP3    H257121  -4.286  -0.240   3.892
+ 1693TIP3   OH257122  -4.209  -0.125   3.526
+ 1693TIP3    H157123  -4.148  -0.100   3.455
+ 1693TIP3    H257124  -4.293  -0.090   3.495
+ 1693TIP3   OH257125  -3.499  -0.169   3.985
+ 1693TIP3    H157126  -3.591  -0.186   4.012
+ 1693TIP3    H257127  -3.450  -0.201   4.062
+ 1694TIP3   OH257128  -4.038  -0.048   3.845
+ 1694TIP3    H157129  -4.118  -0.042   3.790
+ 1694TIP3    H257130  -4.001  -0.133   3.816
+ 1694TIP3   OH257131  -3.671  -0.021   3.621
+ 1694TIP3    H157132  -3.574  -0.016   3.629
+ 1694TIP3    H257133  -3.693   0.041   3.549
+ 1694TIP3   OH257134  -3.058  -0.314   4.282
+ 1694TIP3    H157135  -3.091  -0.275   4.365
+ 1694TIP3    H257136  -3.130  -0.302   4.220
+ 1694TIP3   OH257137  -3.827   0.110   3.398
+ 1694TIP3    H157138  -3.885   0.072   3.330
+ 1694TIP3    H257139  -3.744   0.123   3.348
+ 1694TIP3   OH257140  -3.403   0.064   4.192
+ 1694TIP3    H157141  -3.331   0.033   4.135
+ 1694TIP3    H257142  -3.397   0.000   4.265
+ 1694TIP3   OH257143  -3.872  -0.285   3.793
+ 1694TIP3    H157144  -3.917  -0.370   3.799
+ 1694TIP3    H257145  -3.791  -0.308   3.745
+ 1694TIP3   OH257146  -3.481   0.565   3.581
+ 1694TIP3    H157147  -3.556   0.512   3.547
+ 1694TIP3    H257148  -3.497   0.564   3.678
+ 1694TIP3   OH257149  -3.062  -0.153   3.357
+ 1694TIP3    H157150  -3.160  -0.157   3.356
+ 1694TIP3    H257151  -3.043  -0.083   3.423
+ 1694TIP3   OH257152  -2.994   0.027   3.563
+ 1694TIP3    H157153  -2.908   0.010   3.605
+ 1694TIP3    H257154  -2.981   0.115   3.523
+ 1694TIP3   OH257155  -3.975   0.459   4.159
+ 1694TIP3    H157156  -3.911   0.481   4.089
+ 1694TIP3    H257157  -3.919   0.400   4.213
+ 1695TIP3   OH257158  -3.239   0.699   3.472
+ 1695TIP3    H157159  -3.263   0.784   3.513
+ 1695TIP3    H257160  -3.312   0.642   3.501
+ 1695TIP3   OH257161  -2.534   0.024   3.538
+ 1695TIP3    H157162  -2.592   0.007   3.461
+ 1695TIP3    H257163  -2.522   0.121   3.526
+ 1695TIP3   OH257164  -2.721   0.886   3.542
+ 1695TIP3    H157165  -2.739   0.814   3.605
+ 1695TIP3    H257166  -2.657   0.847   3.481
+ 1695TIP3   OH257167  -3.006   0.438   4.245
+ 1695TIP3    H157168  -3.092   0.402   4.271
+ 1695TIP3    H257169  -2.964   0.361   4.201
+ 1695TIP3   OH257170  -3.726   0.827   3.871
+ 1695TIP3    H157171  -3.685   0.915   3.875
+ 1695TIP3    H257172  -3.820   0.850   3.865
+ 1695TIP3   OH257173  -4.152   0.327   3.358
+ 1695TIP3    H157174  -4.080   0.381   3.398
+ 1695TIP3    H257175  -4.228   0.383   3.378
+ 1695TIP3   OH257176  -3.543   0.599   3.861
+ 1695TIP3    H157177  -3.578   0.690   3.861
+ 1695TIP3    H257178  -3.620   0.549   3.893
+ 1695TIP3   OH257179  -3.681   1.122   3.810
+ 1695TIP3    H157180  -3.777   1.135   3.820
+ 1695TIP3    H257181  -3.646   1.208   3.839
+ 1695TIP3   OH257182  -2.970   0.729   3.336
+ 1695TIP3    H157183  -2.926   0.685   3.411
+ 1695TIP3    H257184  -3.062   0.715   3.362
+ 1695TIP3   OH257185  -2.495   1.156   3.389
+ 1695TIP3    H157186  -2.426   1.221   3.370
+ 1695TIP3    H257187  -2.572   1.215   3.393
+ 1696TIP3   OH257188  -2.873   0.589   3.572
+ 1696TIP3    H157189  -2.900   0.519   3.634
+ 1696TIP3    H257190  -2.777   0.590   3.584
+ 1696TIP3   OH257191  -3.546   0.834   3.193
+ 1696TIP3    H157192  -3.515   0.755   3.145
+ 1696TIP3    H257193  -3.587   0.794   3.271
+ 1696TIP3   OH257194  -3.664   0.786   3.466
+ 1696TIP3    H157195  -3.611   0.732   3.527
+ 1696TIP3    H257196  -3.647   0.877   3.500
+ 1696TIP3   OH257197  -3.987   0.528   3.498
+ 1696TIP3    H157198  -4.056   0.568   3.556
+ 1696TIP3    H257199  -3.935   0.607   3.478
+ 1696TIP3   OH257200  -3.145  -0.278   3.632
+ 1696TIP3    H157201  -3.126  -0.223   3.555
+ 1696TIP3    H257202  -3.101  -0.229   3.704
+ 1696TIP3   OH257203  -3.366   0.948   3.528
+ 1696TIP3    H157204  -3.447   0.998   3.546
+ 1696TIP3    H257205  -3.329   0.996   3.453
+ 1696TIP3   OH257206  -3.407  -0.076   3.726
+ 1696TIP3    H157207  -3.329  -0.020   3.743
+ 1696TIP3    H257208  -3.435  -0.098   3.817
+ 1696TIP3   OH257209  -3.351  -0.377   3.816
+ 1696TIP3    H157210  -3.359  -0.318   3.893
+ 1696TIP3    H257211  -3.273  -0.340   3.772
+ 1696TIP3   OH257212  -3.646   1.057   3.527
+ 1696TIP3    H157213  -3.653   1.140   3.475
+ 1696TIP3    H257214  -3.658   1.089   3.619
+ 1696TIP3   OH257215  -3.774  -0.277   3.480
+ 1696TIP3    H157216  -3.766  -0.197   3.535
+ 1696TIP3    H257217  -3.692  -0.325   3.505
+ 1697TIP3   OH257218  -2.896   0.202   4.137
+ 1697TIP3    H157219  -2.975   0.152   4.108
+ 1697TIP3    H257220  -2.839   0.130   4.173
+ 1697TIP3   OH257221  -3.930   0.817   3.379
+ 1697TIP3    H157222  -3.853   0.855   3.424
+ 1697TIP3    H257223  -3.885   0.757   3.318
+ 1697TIP3   OH257224  -4.109   0.030   3.293
+ 1697TIP3    H157225  -4.110   0.122   3.322
+ 1697TIP3    H257226  -4.195   0.016   3.252
+ 1697TIP3   OH257227  -2.796   1.168   4.362
+ 1697TIP3    H157228  -2.825   1.224   4.287
+ 1697TIP3    H257229  -2.701   1.173   4.348
+ 1697TIP3   OH257230  -4.024  -0.483   4.168
+ 1697TIP3    H157231  -4.057  -0.478   4.076
+ 1697TIP3    H257232  -4.075  -0.556   4.205
+ 1697TIP3   OH257233  -4.137   0.891   3.798
+ 1697TIP3    H157234  -4.227   0.925   3.802
+ 1697TIP3    H257235  -4.103   0.930   3.716
+ 1697TIP3   OH257236  -3.323   1.006   3.242
+ 1697TIP3    H157237  -3.398   0.942   3.234
+ 1697TIP3    H257238  -3.251   0.951   3.208
+ 1697TIP3   OH257239  -2.860   0.995   3.252
+ 1697TIP3    H157240  -2.845   0.917   3.309
+ 1697TIP3    H257241  -2.778   0.998   3.201
+ 1697TIP3   OH257242  -3.781   0.577   3.228
+ 1697TIP3    H157243  -3.763   0.518   3.303
+ 1697TIP3    H257244  -3.695   0.574   3.181
+ 1697TIP3   OH257245  -3.258   0.711   3.189
+ 1697TIP3    H157246  -3.260   0.706   3.286
+ 1697TIP3    H257247  -3.261   0.615   3.167
+ 1698TIP3   OH257248  -3.674   0.388   3.461
+ 1698TIP3    H157249  -3.733   0.335   3.517
+ 1698TIP3    H257250  -3.642   0.320   3.398
+ 1698TIP3   OH257251  -3.575   0.190   3.288
+ 1698TIP3    H157252  -3.579   0.195   3.191
+ 1698TIP3    H257253  -3.479   0.184   3.303
+ 1698TIP3   OH257254  -2.624   0.440   3.219
+ 1698TIP3    H157255  -2.636   0.397   3.134
+ 1698TIP3    H257256  -2.636   0.534   3.196
+ 1698TIP3   OH257257  -3.601   1.315   3.398
+ 1698TIP3    H157258  -3.505   1.321   3.411
+ 1698TIP3    H257259  -3.610   1.349   3.308
+ 1698TIP3   OH257260  -4.199   0.801   3.305
+ 1698TIP3    H157261  -4.122   0.796   3.364
+ 1698TIP3    H257262  -4.217   0.708   3.284
+ 1698TIP3   OH257263  -4.275   1.078   4.017
+ 1698TIP3    H157264  -4.276   0.988   4.054
+ 1698TIP3    H257265  -4.245   1.125   4.097
+ 1698TIP3   OH257266  -2.518   1.209   4.286
+ 1698TIP3    H157267  -2.510   1.183   4.379
+ 1698TIP3    H257268  -2.425   1.217   4.261
+ 1698TIP3   OH257269  -2.585   0.576   3.613
+ 1698TIP3    H157270  -2.494   0.608   3.631
+ 1698TIP3    H257271  -2.595   0.514   3.686
+ 1698TIP3   OH257272  -2.537   0.370   3.812
+ 1698TIP3    H157273  -2.606   0.317   3.855
+ 1698TIP3    H257274  -2.471   0.382   3.883
+ 1698TIP3   OH257275  -2.548   0.606   4.337
+ 1698TIP3    H157276  -2.501   0.552   4.272
+ 1698TIP3    H257277  -2.565   0.689   4.290
+ 1699TIP3   OH257278  -2.513   0.317   3.468
+ 1699TIP3    H157279  -2.565   0.347   3.391
+ 1699TIP3    H257280  -2.527   0.391   3.529
+ 1699TIP3   OH257281  -2.689   0.074   3.294
+ 1699TIP3    H157282  -2.662   0.131   3.222
+ 1699TIP3    H257283  -2.712  -0.009   3.249
+ 1699TIP3   OH257284  -2.751   0.186   3.892
+ 1699TIP3    H157285  -2.754   0.090   3.879
+ 1699TIP3    H257286  -2.784   0.196   3.983
+ 1699TIP3   OH257287  -4.229   0.441   4.306
+ 1699TIP3    H157288  -4.240   0.441   4.209
+ 1699TIP3    H257289  -4.141   0.403   4.315
+ 1699TIP3   OH257290  -2.740  -0.192   3.215
+ 1699TIP3    H157291  -2.682  -0.242   3.275
+ 1699TIP3    H257292  -2.820  -0.246   3.210
+ 1699TIP3   OH257293  -2.760  -0.064   3.709
+ 1699TIP3    H157294  -2.736  -0.159   3.716
+ 1699TIP3    H257295  -2.678  -0.029   3.669
+ 1699TIP3   OH257296  -2.736   0.009   4.222
+ 1699TIP3    H157297  -2.640   0.000   4.239
+ 1699TIP3    H257298  -2.774  -0.026   4.305
+ 1699TIP3   OH257299  -2.712  -0.344   3.707
+ 1699TIP3    H157300  -2.702  -0.376   3.798
+ 1699TIP3    H257301  -2.793  -0.392   3.678
+ 1699TIP3   OH257302  -4.171  -0.192   4.198
+ 1699TIP3    H157303  -4.174  -0.288   4.209
+ 1699TIP3    H257304  -4.105  -0.169   4.265
+ 1699TIP3   OH257305  -4.347   0.062   4.318
+ 1699TIP3    H157306  -4.312   0.010   4.244
+ 1699TIP3    H257307  -4.288   0.139   4.317
+ 1700TIP3   OH257308  -2.516  -0.294   3.372
+ 1700TIP3    H157309  -2.484  -0.376   3.330
+ 1700TIP3    H257310  -2.433  -0.244   3.384
+ 1700TIP3   OH257311  -4.316  -0.341   3.649
+ 1700TIP3    H157312  -4.402  -0.317   3.611
+ 1700TIP3    H257313  -4.259  -0.269   3.614
+ 1700TIP3   OH257314  -2.833   1.208   3.899
+ 1700TIP3    H157315  -2.780   1.178   3.823
+ 1700TIP3    H257316  -2.764   1.241   3.959
+ 1700TIP3   OH257317  -4.155   1.122   4.264
+ 1700TIP3    H157318  -4.128   1.118   4.358
+ 1700TIP3    H257319  -4.069   1.102   4.223
+ 1700TIP3   OH257320  -3.909   1.023   4.115
+ 1700TIP3    H157321  -3.924   0.931   4.146
+ 1700TIP3    H257322  -3.820   1.041   4.149
+ 1700TIP3   OH257323  -3.634   1.069   4.213
+ 1700TIP3    H157324  -3.609   0.981   4.182
+ 1700TIP3    H257325  -3.626   1.058   4.308
+ 1700TIP3   OH257326  -3.303  -0.331   4.122
+ 1700TIP3    H157327  -3.360  -0.405   4.153
+ 1700TIP3    H257328  -3.231  -0.381   4.077
+ 1700TIP3   OH257329  -2.805  -0.458   4.149
+ 1700TIP3    H157330  -2.722  -0.502   4.128
+ 1700TIP3    H257331  -2.874  -0.521   4.124
+ 1700TIP3   OH257332  -2.588  -0.430   3.955
+ 1700TIP3    H157333  -2.513  -0.467   3.905
+ 1700TIP3    H257334  -2.560  -0.338   3.973
+ 1700TIP3   OH257335  -4.107  -0.483   3.885
+ 1700TIP3    H157336  -4.181  -0.511   3.830
+ 1700TIP3    H257337  -4.046  -0.558   3.875
+ 1701TIP3   OH257338  -4.180  -0.523   3.470
+ 1701TIP3    H157339  -4.132  -0.455   3.420
+ 1701TIP3    H257340  -4.234  -0.468   3.530
+ 1701TIP3   OH257341  -3.612  -0.492   3.891
+ 1701TIP3    H157342  -3.523  -0.459   3.872
+ 1701TIP3    H257343  -3.608  -0.504   3.987
+ 1701TIP3   OH257344  -3.081  -0.478   3.998
+ 1701TIP3    H157345  -3.030  -0.504   3.920
+ 1701TIP3    H257346  -3.099  -0.563   4.041
+ 1701TIP3   OH257347  -2.944  -0.484   3.616
+ 1701TIP3    H157348  -3.026  -0.432   3.604
+ 1701TIP3    H257349  -2.980  -0.573   3.629
+ 1701TIP3   OH257350  -4.189   1.079   3.573
+ 1701TIP3    H157351  -4.251   1.062   3.501
+ 1701TIP3    H257352  -4.183   1.176   3.571
+ 1701TIP3   OH257353  -4.004  -0.329   3.320
+ 1701TIP3    H157354  -3.951  -0.394   3.271
+ 1701TIP3    H257355  -3.942  -0.306   3.392
+ 1701TIP3   OH257356  -3.501  -0.320   3.583
+ 1701TIP3    H157357  -3.463  -0.378   3.652
+ 1701TIP3    H257358  -3.479  -0.234   3.621
+ 1701TIP3   OH257359  -3.296   1.260   3.402
+ 1701TIP3    H157360  -3.198   1.260   3.401
+ 1701TIP3    H257361  -3.313   1.190   3.336
+ 1701TIP3   OH257362  -2.645   1.161   3.664
+ 1701TIP3    H157363  -2.669   1.078   3.618
+ 1701TIP3    H257364  -2.648   1.225   3.591
+ 1701TIP3   OH257365  -4.009   1.182   3.272
+ 1701TIP3    H157366  -4.040   1.195   3.363
+ 1701TIP3    H257367  -3.943   1.112   3.283
+ 1702TIP3   OH257368  -1.282   0.402   3.922
+ 1702TIP3    H157369  -1.276   0.499   3.930
+ 1702TIP3    H257370  -1.352   0.392   3.856
+ 1702TIP3   OH257371  -1.385   0.342   4.246
+ 1702TIP3    H157372  -1.390   0.268   4.309
+ 1702TIP3    H257373  -1.397   0.298   4.161
+ 1702TIP3   OH257374  -1.026   0.617   4.043
+ 1702TIP3    H157375  -1.064   0.552   4.104
+ 1702TIP3    H257376  -0.992   0.680   4.110
+ 1702TIP3   OH257377  -2.074   0.765   4.247
+ 1702TIP3    H157378  -2.101   0.674   4.223
+ 1702TIP3    H257379  -1.978   0.749   4.258
+ 1702TIP3   OH257380  -2.376   0.115   3.776
+ 1702TIP3    H157381  -2.419   0.201   3.787
+ 1702TIP3    H257382  -2.449   0.061   3.742
+ 1702TIP3   OH257383  -2.302   0.350   3.974
+ 1702TIP3    H157384  -2.281   0.272   4.030
+ 1702TIP3    H257385  -2.218   0.361   3.927
+ 1702TIP3   OH257386  -1.324   1.159   4.113
+ 1702TIP3    H157387  -1.260   1.092   4.083
+ 1702TIP3    H257388  -1.350   1.127   4.201
+ 1702TIP3   OH257389  -1.582   0.570   4.277
+ 1702TIP3    H157390  -1.537   0.503   4.223
+ 1702TIP3    H257391  -1.502   0.607   4.321
+ 1702TIP3   OH257392  -1.232   0.045   4.322
+ 1702TIP3    H157393  -1.189  -0.040   4.342
+ 1702TIP3    H257394  -1.225   0.050   4.225
+ 1702TIP3   OH257395  -1.921  -0.168   4.042
+ 1702TIP3    H157396  -1.904  -0.083   3.997
+ 1702TIP3    H257397  -1.953  -0.221   3.966
+ 1703TIP3   OH257398  -1.132  -0.148   3.864
+ 1703TIP3    H157399  -1.079  -0.187   3.938
+ 1703TIP3    H257400  -1.061  -0.103   3.816
+ 1703TIP3   OH257401  -2.221   0.100   4.099
+ 1703TIP3    H157402  -2.181   0.034   4.157
+ 1703TIP3    H257403  -2.221   0.052   4.014
+ 1703TIP3   OH257404  -1.716   0.240   4.055
+ 1703TIP3    H157405  -1.641   0.184   4.083
+ 1703TIP3    H257406  -1.761   0.181   3.991
+ 1703TIP3   OH257407  -1.283   0.690   3.792
+ 1703TIP3    H157408  -1.318   0.667   3.706
+ 1703TIP3    H257409  -1.329   0.774   3.812
+ 1703TIP3   OH257410  -0.957  -0.202   4.065
+ 1703TIP3    H157411  -0.957  -0.294   4.100
+ 1703TIP3    H257412  -0.906  -0.159   4.136
+ 1703TIP3   OH257413  -1.995  -0.076   4.298
+ 1703TIP3    H157414  -2.014   0.016   4.278
+ 1703TIP3    H257415  -2.000  -0.121   4.211
+ 1703TIP3   OH257416  -2.308   0.659   3.627
+ 1703TIP3    H157417  -2.330   0.710   3.547
+ 1703TIP3    H257418  -2.293   0.729   3.694
+ 1703TIP3   OH257419  -0.956   0.765   4.252
+ 1703TIP3    H157420  -1.021   0.757   4.324
+ 1703TIP3    H257421  -0.904   0.840   4.281
+ 1703TIP3   OH257422  -1.624  -0.530   4.177
+ 1703TIP3    H157423  -1.629  -0.627   4.183
+ 1703TIP3    H257424  -1.707  -0.505   4.222
+ 1703TIP3   OH257425  -1.134   1.000   3.961
+ 1703TIP3    H157426  -1.088   0.919   3.934
+ 1703TIP3    H257427  -1.067   1.068   3.941
+ 1704TIP3   OH257428  -0.987   0.781   3.821
+ 1704TIP3    H157429  -1.045   0.736   3.759
+ 1704TIP3    H257430  -0.993   0.721   3.898
+ 1704TIP3   OH257431  -1.410   0.357   3.642
+ 1704TIP3    H157432  -1.476   0.417   3.603
+ 1704TIP3    H257433  -1.338   0.361   3.577
+ 1704TIP3   OH257434  -1.381   0.179   3.343
+ 1704TIP3    H157435  -1.313   0.207   3.407
+ 1704TIP3    H257436  -1.330   0.117   3.289
+ 1704TIP3   OH257437  -1.060   0.356   3.750
+ 1704TIP3    H157438  -1.126   0.379   3.820
+ 1704TIP3    H257439  -0.999   0.300   3.801
+ 1704TIP3   OH257440  -1.896   0.438   3.924
+ 1704TIP3    H157441  -1.933   0.392   3.846
+ 1704TIP3    H257442  -1.840   0.370   3.964
+ 1704TIP3   OH257443  -1.798   0.756   4.155
+ 1704TIP3    H157444  -1.774   0.711   4.073
+ 1704TIP3    H257445  -1.718   0.746   4.209
+ 1704TIP3   OH257446  -1.880   0.323   4.270
+ 1704TIP3    H157447  -1.811   0.307   4.202
+ 1704TIP3    H257448  -1.827   0.343   4.348
+ 1704TIP3   OH257449  -1.163   0.303   3.494
+ 1704TIP3    H157450  -1.117   0.329   3.577
+ 1704TIP3    H257451  -1.113   0.354   3.427
+ 1704TIP3   OH257452  -1.418   0.961   3.852
+ 1704TIP3    H157453  -1.369   0.993   3.929
+ 1704TIP3    H257454  -1.468   1.039   3.825
+ 1704TIP3   OH257455  -0.814  -0.535   3.455
+ 1704TIP3    H157456  -0.907  -0.518   3.482
+ 1704TIP3    H257457  -0.781  -0.444   3.445
+ 1705TIP3   OH257458  -2.006   0.309   3.681
+ 1705TIP3    H157459  -2.029   0.384   3.623
+ 1705TIP3    H257460  -2.071   0.243   3.655
+ 1705TIP3   OH257461  -0.682   0.892   3.301
+ 1705TIP3    H157462  -0.661   0.986   3.316
+ 1705TIP3    H257463  -0.595   0.850   3.320
+ 1705TIP3   OH257464  -2.385   0.854   4.229
+ 1705TIP3    H157465  -2.290   0.846   4.246
+ 1705TIP3    H257466  -2.412   0.924   4.290
+ 1705TIP3   OH257467  -1.463   1.233   3.699
+ 1705TIP3    H157468  -1.462   1.246   3.602
+ 1705TIP3    H257469  -1.461   1.324   3.733
+ 1705TIP3   OH257470  -2.082   1.146   3.862
+ 1705TIP3    H157471  -2.068   1.100   3.947
+ 1705TIP3    H257472  -2.167   1.110   3.834
+ 1705TIP3   OH257473  -1.135   1.175   3.416
+ 1705TIP3    H157474  -1.076   1.110   3.375
+ 1705TIP3    H257475  -1.141   1.141   3.508
+ 1705TIP3   OH257476  -1.197   1.117   3.692
+ 1705TIP3    H157477  -1.291   1.132   3.713
+ 1705TIP3    H257478  -1.175   1.051   3.760
+ 1705TIP3   OH257479  -1.867  -0.440   4.290
+ 1705TIP3    H157480  -1.951  -0.451   4.242
+ 1705TIP3    H257481  -1.864  -0.345   4.308
+ 1705TIP3   OH257482  -1.010   0.410   3.293
+ 1705TIP3    H157483  -1.026   0.389   3.200
+ 1705TIP3    H257484  -0.915   0.434   3.290
+ 1705TIP3   OH257485  -1.445  -0.213   3.345
+ 1705TIP3    H157486  -1.494  -0.228   3.427
+ 1705TIP3    H257487  -1.485  -0.281   3.288
+ 1706TIP3   OH257488  -1.879   0.067   3.883
+ 1706TIP3    H157489  -1.975   0.056   3.868
+ 1706TIP3    H257490  -1.845   0.042   3.795
+ 1706TIP3   OH257491  -1.321   0.121   3.764
+ 1706TIP3    H157492  -1.362   0.203   3.728
+ 1706TIP3    H257493  -1.252   0.104   3.697
+ 1706TIP3   OH257494  -1.242   0.061   4.042
+ 1706TIP3    H157495  -1.269   0.116   3.966
+ 1706TIP3    H257496  -1.220  -0.022   3.996
+ 1706TIP3   OH257497  -1.803  -0.164   3.235
+ 1706TIP3    H157498  -1.836  -0.202   3.319
+ 1706TIP3    H257499  -1.883  -0.159   3.182
+ 1706TIP3   OH257500  -2.450  -0.173   3.941
+ 1706TIP3    H157501  -2.397  -0.184   4.022
+ 1706TIP3    H257502  -2.402  -0.222   3.874
+ 1706TIP3   OH257503  -2.298  -0.139   3.512
+ 1706TIP3    H157504  -2.243  -0.089   3.449
+ 1706TIP3    H257505  -2.367  -0.073   3.532
+ 1706TIP3   OH257506  -1.613  -0.170   3.984
+ 1706TIP3    H157507  -1.706  -0.184   4.009
+ 1706TIP3    H257508  -1.566  -0.201   4.064
+ 1706TIP3   OH257509  -2.146  -0.052   3.852
+ 1706TIP3    H157510  -2.230  -0.026   3.809
+ 1706TIP3    H257511  -2.120  -0.132   3.803
+ 1706TIP3   OH257512  -1.785  -0.022   3.621
+ 1706TIP3    H157513  -1.688  -0.014   3.627
+ 1706TIP3    H257514  -1.809   0.040   3.550
+ 1706TIP3   OH257515  -1.170  -0.311   4.282
+ 1706TIP3    H157516  -1.206  -0.276   4.365
+ 1706TIP3    H257517  -1.244  -0.304   4.220
+ 1707TIP3   OH257518  -1.940   0.106   3.399
+ 1707TIP3    H157519  -2.000   0.073   3.330
+ 1707TIP3    H257520  -1.859   0.122   3.349
+ 1707TIP3   OH257521  -1.516   0.065   4.192
+ 1707TIP3    H157522  -1.445   0.032   4.135
+ 1707TIP3    H257523  -1.513   0.001   4.264
+ 1707TIP3   OH257524  -1.972  -0.281   3.785
+ 1707TIP3    H157525  -2.028  -0.359   3.800
+ 1707TIP3    H257526  -1.892  -0.320   3.748
+ 1707TIP3   OH257527  -1.593   0.562   3.582
+ 1707TIP3    H157528  -1.669   0.511   3.547
+ 1707TIP3    H257529  -1.612   0.565   3.679
+ 1707TIP3   OH257530  -1.176  -0.153   3.357
+ 1707TIP3    H157531  -1.275  -0.157   3.356
+ 1707TIP3    H257532  -1.158  -0.083   3.423
+ 1707TIP3   OH257533  -1.109   0.028   3.563
+ 1707TIP3    H157534  -1.022   0.010   3.605
+ 1707TIP3    H257535  -1.096   0.116   3.523
+ 1707TIP3   OH257536  -2.092   0.474   4.175
+ 1707TIP3    H157537  -2.034   0.484   4.098
+ 1707TIP3    H257538  -2.044   0.404   4.223
+ 1707TIP3   OH257539  -1.354   0.698   3.472
+ 1707TIP3    H157540  -1.379   0.784   3.512
+ 1707TIP3    H257541  -1.428   0.643   3.502
+ 1707TIP3   OH257542  -0.649   0.025   3.539
+ 1707TIP3    H157543  -0.705   0.007   3.462
+ 1707TIP3    H257544  -0.637   0.122   3.526
+ 1707TIP3   OH257545  -0.836   0.891   3.546
+ 1707TIP3    H157546  -0.852   0.815   3.605
+ 1707TIP3    H257547  -0.774   0.855   3.481
+ 1708TIP3   OH257548  -1.115   0.436   4.248
+ 1708TIP3    H157549  -1.206   0.406   4.269
+ 1708TIP3    H257550  -1.079   0.359   4.200
+ 1708TIP3   OH257551  -1.839   0.827   3.868
+ 1708TIP3    H157552  -1.800   0.915   3.874
+ 1708TIP3    H257553  -1.934   0.848   3.866
+ 1708TIP3   OH257554  -2.243   0.310   3.350
+ 1708TIP3    H157555  -2.184   0.377   3.391
+ 1708TIP3    H257556  -2.329   0.335   3.386
+ 1708TIP3   OH257557  -1.658   0.599   3.860
+ 1708TIP3    H157558  -1.693   0.690   3.861
+ 1708TIP3    H257559  -1.734   0.549   3.892
+ 1708TIP3   OH257560  -1.796   1.121   3.811
+ 1708TIP3    H157561  -1.892   1.135   3.820
+ 1708TIP3    H257562  -1.762   1.209   3.838
+ 1708TIP3   OH257563  -1.086   0.729   3.336
+ 1708TIP3    H157564  -1.041   0.685   3.410
+ 1708TIP3    H257565  -1.178   0.715   3.364
+ 1708TIP3   OH257566  -0.596   1.165   3.364
+ 1708TIP3    H157567  -0.525   1.232   3.372
+ 1708TIP3    H257568  -0.672   1.217   3.394
+ 1708TIP3   OH257569  -0.987   0.589   3.572
+ 1708TIP3    H157570  -1.014   0.520   3.634
+ 1708TIP3    H257571  -0.891   0.591   3.583
+ 1708TIP3   OH257572  -1.660   0.831   3.189
+ 1708TIP3    H157573  -1.626   0.749   3.149
+ 1708TIP3    H257574  -1.701   0.797   3.270
+ 1708TIP3   OH257575  -1.773   0.787   3.462
+ 1708TIP3    H157576  -1.726   0.733   3.528
+ 1708TIP3    H257577  -1.761   0.877   3.497
+ 1709TIP3   OH257578  -2.091   0.531   3.503
+ 1709TIP3    H157579  -2.164   0.568   3.557
+ 1709TIP3    H257580  -2.044   0.613   3.479
+ 1709TIP3   OH257581  -1.256  -0.280   3.632
+ 1709TIP3    H157582  -1.241  -0.223   3.555
+ 1709TIP3    H257583  -1.216  -0.229   3.704
+ 1709TIP3   OH257584  -1.482   0.946   3.526
+ 1709TIP3    H157585  -1.562   0.997   3.548
+ 1709TIP3    H257586  -1.442   1.000   3.457
+ 1709TIP3   OH257587  -1.520  -0.077   3.727
+ 1709TIP3    H157588  -1.443  -0.020   3.744
+ 1709TIP3    H257589  -1.550  -0.098   3.817
+ 1709TIP3   OH257590  -1.466  -0.377   3.817
+ 1709TIP3    H157591  -1.475  -0.317   3.892
+ 1709TIP3    H257592  -1.387  -0.340   3.773
+ 1709TIP3   OH257593  -1.760   1.057   3.527
+ 1709TIP3    H157594  -1.766   1.139   3.474
+ 1709TIP3    H257595  -1.775   1.089   3.618
+ 1709TIP3   OH257596  -1.887  -0.276   3.473
+ 1709TIP3    H157597  -1.886  -0.202   3.536
+ 1709TIP3    H257598  -1.807  -0.325   3.501
+ 1709TIP3   OH257599  -1.011   0.202   4.135
+ 1709TIP3    H157600  -1.090   0.152   4.108
+ 1709TIP3    H257601  -0.954   0.130   4.172
+ 1709TIP3   OH257602  -2.047   0.813   3.377
+ 1709TIP3    H157603  -1.975   0.862   3.420
+ 1709TIP3    H257604  -1.995   0.759   3.315
+ 1709TIP3   OH257605  -2.230   0.031   3.290
+ 1709TIP3    H157606  -2.222   0.125   3.316
+ 1709TIP3    H257607  -2.319   0.028   3.254
+ 1710TIP3   OH257608  -0.881   1.179   4.318
+ 1710TIP3    H157609  -0.908   1.224   4.236
+ 1710TIP3    H257610  -0.794   1.145   4.290
+ 1710TIP3   OH257611  -2.144  -0.471   4.172
+ 1710TIP3    H157612  -2.159  -0.467   4.075
+ 1710TIP3    H257613  -2.179  -0.557   4.196
+ 1710TIP3   OH257614  -2.254   0.879   3.797
+ 1710TIP3    H157615  -2.329   0.933   3.826
+ 1710TIP3    H257616  -2.215   0.936   3.729
+ 1710TIP3   OH257617  -1.438   1.007   3.239
+ 1710TIP3    H157618  -1.513   0.944   3.236
+ 1710TIP3    H257619  -1.366   0.949   3.208
+ 1710TIP3   OH257620  -0.975   0.994   3.251
+ 1710TIP3    H157621  -0.959   0.917   3.308
+ 1710TIP3    H257622  -0.893   0.999   3.201
+ 1710TIP3   OH257623  -1.893   0.578   3.227
+ 1710TIP3    H157624  -1.880   0.520   3.303
+ 1710TIP3    H257625  -1.806   0.571   3.184
+ 1710TIP3   OH257626  -1.372   0.712   3.188
+ 1710TIP3    H157627  -1.373   0.706   3.286
+ 1710TIP3    H257628  -1.378   0.617   3.166
+ 1710TIP3   OH257629  -1.786   0.387   3.461
+ 1710TIP3    H157630  -1.848   0.337   3.516
+ 1710TIP3    H257631  -1.756   0.318   3.398
+ 1710TIP3   OH257632  -1.690   0.189   3.288
+ 1710TIP3    H157633  -1.695   0.192   3.191
+ 1710TIP3    H257634  -1.593   0.184   3.303
+ 1710TIP3   OH257635  -0.741   0.439   3.221
+ 1710TIP3    H157636  -0.746   0.396   3.134
+ 1710TIP3    H257637  -0.747   0.534   3.196
+ 1711TIP3   OH257638  -1.713   1.309   3.395
+ 1711TIP3    H157639  -1.618   1.323   3.409
+ 1711TIP3    H257640  -1.727   1.359   3.314
+ 1711TIP3   OH257641  -2.323   0.752   3.350
+ 1711TIP3    H157642  -2.228   0.770   3.364
+ 1711TIP3    H257643  -2.320   0.673   3.292
+ 1711TIP3   OH257644  -2.418   1.266   3.822
+ 1711TIP3    H157645  -2.494   1.233   3.770
+ 1711TIP3    H257646  -2.414   1.200   3.894
+ 1711TIP3   OH257647  -2.382   1.070   4.021
+ 1711TIP3    H157648  -2.414   0.982   4.049
+ 1711TIP3    H257649  -2.349   1.101   4.107
+ 1711TIP3   OH257650  -0.619   1.162   4.283
+ 1711TIP3    H157651  -0.661   1.215   4.352
+ 1711TIP3    H257652  -0.549   1.223   4.256
+ 1711TIP3   OH257653  -0.701   0.577   3.613
+ 1711TIP3    H157654  -0.610   0.610   3.629
+ 1711TIP3    H257655  -0.709   0.514   3.686
+ 1711TIP3   OH257656  -0.644   0.365   3.816
+ 1711TIP3    H157657  -0.720   0.316   3.855
+ 1711TIP3    H257658  -0.590   0.386   3.894
+ 1711TIP3   OH257659  -0.688   0.602   4.329
+ 1711TIP3    H157660  -0.621   0.557   4.277
+ 1711TIP3    H257661  -0.690   0.691   4.291
+ 1711TIP3   OH257662  -0.631   0.316   3.470
+ 1711TIP3    H157663  -0.680   0.345   3.391
+ 1711TIP3    H257664  -0.640   0.393   3.528
+ 1711TIP3   OH257665  -0.805   0.075   3.294
+ 1711TIP3    H157666  -0.774   0.132   3.222
+ 1711TIP3    H257667  -0.827  -0.008   3.248
+ 1712TIP3   OH257668  -0.863   0.188   3.892
+ 1712TIP3    H157669  -0.867   0.092   3.878
+ 1712TIP3    H257670  -0.899   0.197   3.983
+ 1712TIP3   OH257671  -2.376   0.367   4.260
+ 1712TIP3    H157672  -2.339   0.401   4.177
+ 1712TIP3    H257673  -2.299   0.370   4.319
+ 1712TIP3   OH257674  -0.855  -0.191   3.216
+ 1712TIP3    H157675  -0.797  -0.243   3.275
+ 1712TIP3    H257676  -0.935  -0.245   3.208
+ 1712TIP3   OH257677  -0.874  -0.064   3.709
+ 1712TIP3    H157678  -0.850  -0.159   3.716
+ 1712TIP3    H257679  -0.793  -0.028   3.669
+ 1712TIP3   OH257680  -0.850   0.010   4.224
+ 1712TIP3    H157681  -0.755   0.000   4.240
+ 1712TIP3    H257682  -0.890  -0.026   4.305
+ 1712TIP3   OH257683  -0.826  -0.347   3.707
+ 1712TIP3    H157684  -0.823  -0.374   3.801
+ 1712TIP3    H257685  -0.907  -0.392   3.677
+ 1712TIP3   OH257686  -2.300  -0.211   4.191
+ 1712TIP3    H157687  -2.274  -0.304   4.203
+ 1712TIP3    H257688  -2.246  -0.169   4.258
+ 1712TIP3   OH257689  -2.461   0.073   4.303
+ 1712TIP3    H157690  -2.419   0.037   4.223
+ 1712TIP3    H257691  -2.435   0.167   4.297
+ 1712TIP3   OH257692  -0.631  -0.298   3.375
+ 1712TIP3    H157693  -0.598  -0.377   3.330
+ 1712TIP3    H257694  -0.549  -0.245   3.384
+ 1712TIP3   OH257695  -2.405  -0.325   3.692
+ 1712TIP3    H157696  -2.500  -0.318   3.673
+ 1712TIP3    H257697  -2.365  -0.263   3.628
+ 1713TIP3   OH257698  -0.946   1.194   3.870
+ 1713TIP3    H157699  -0.869   1.157   3.824
+ 1713TIP3    H257700  -0.905   1.245   3.943
+ 1713TIP3   OH257701  -2.245   1.114   4.260
+ 1713TIP3    H157702  -2.211   1.112   4.352
+ 1713TIP3    H257703  -2.162   1.091   4.213
+ 1713TIP3   OH257704  -2.020   1.020   4.117
+ 1713TIP3    H157705  -2.031   0.926   4.143
+ 1713TIP3    H257706  -1.928   1.037   4.147
+ 1713TIP3   OH257707  -1.751   1.068   4.213
+ 1713TIP3    H157708  -1.720   0.980   4.184
+ 1713TIP3    H257709  -1.739   1.060   4.308
+ 1713TIP3   OH257710  -1.415  -0.332   4.125
+ 1713TIP3    H157711  -1.474  -0.405   4.153
+ 1713TIP3    H257712  -1.346  -0.381   4.076
+ 1713TIP3   OH257713  -0.919  -0.457   4.128
+ 1713TIP3    H157714  -0.841  -0.510   4.150
+ 1713TIP3    H257715  -0.990  -0.521   4.140
+ 1713TIP3   OH257716  -0.692  -0.433   3.953
+ 1713TIP3    H157717  -0.618  -0.449   3.894
+ 1713TIP3    H257718  -0.679  -0.340   3.978
+ 1713TIP3   OH257719  -2.176  -0.470   3.888
+ 1713TIP3    H157720  -2.262  -0.484   3.843
+ 1713TIP3    H257721  -2.133  -0.556   3.874
+ 1713TIP3   OH257722  -2.295  -0.521   3.477
+ 1713TIP3    H157723  -2.244  -0.455   3.426
+ 1713TIP3    H257724  -2.335  -0.467   3.547
+ 1713TIP3   OH257725  -1.726  -0.493   3.890
+ 1713TIP3    H157726  -1.637  -0.459   3.872
+ 1713TIP3    H257727  -1.723  -0.503   3.987
+ 1714TIP3   OH257728  -1.200  -0.478   3.997
+ 1714TIP3    H157729  -1.145  -0.503   3.922
+ 1714TIP3    H257730  -1.214  -0.563   4.042
+ 1714TIP3   OH257731  -1.058  -0.484   3.614
+ 1714TIP3    H157732  -1.138  -0.430   3.605
+ 1714TIP3    H257733  -1.097  -0.572   3.628
+ 1714TIP3   OH257734  -2.275   1.075   3.591
+ 1714TIP3    H157735  -2.341   1.064   3.521
+ 1714TIP3    H257736  -2.278   1.170   3.604
+ 1714TIP3   OH257737  -2.123  -0.338   3.320
+ 1714TIP3    H157738  -2.063  -0.396   3.270
+ 1714TIP3    H257739  -2.063  -0.306   3.391
+ 1714TIP3   OH257740  -1.614  -0.320   3.583
+ 1714TIP3    H157741  -1.577  -0.376   3.653
+ 1714TIP3    H257742  -1.596  -0.233   3.620
+ 1714TIP3   OH257743  -1.410   1.259   3.404
+ 1714TIP3    H157744  -1.312   1.259   3.402
+ 1714TIP3    H257745  -1.429   1.192   3.337
+ 1714TIP3   OH257746  -0.730   1.158   3.654
+ 1714TIP3    H157747  -0.767   1.077   3.613
+ 1714TIP3    H257748  -0.766   1.228   3.598
+ 1714TIP3   OH257749  -2.134   1.168   3.271
+ 1714TIP3    H157750  -2.160   1.198   3.359
+ 1714TIP3    H257751  -2.055   1.114   3.291
+ 1714TIP3   OH257752   0.636   0.430   3.859
+ 1714TIP3    H157753   0.628   0.525   3.882
+ 1714TIP3    H257754   0.545   0.407   3.836
+ 1714TIP3   OH257755   0.553   0.321   4.303
+ 1714TIP3    H157756   0.520   0.264   4.375
+ 1714TIP3    H257757   0.565   0.256   4.233
+ 1715TIP3   OH257758   0.865   0.618   4.035
+ 1715TIP3    H157759   0.823   0.552   4.092
+ 1715TIP3    H257760   0.909   0.672   4.104
+ 1715TIP3   OH257761  -0.183   0.746   4.252
+ 1715TIP3    H157762  -0.216   0.670   4.204
+ 1715TIP3    H257763  -0.087   0.736   4.239
+ 1715TIP3   OH257764  -0.493   0.121   3.784
+ 1715TIP3    H157765  -0.541   0.206   3.781
+ 1715TIP3    H257766  -0.557   0.061   3.745
+ 1715TIP3   OH257767  -0.386   0.363   3.999
+ 1715TIP3    H157768  -0.386   0.270   4.026
+ 1715TIP3    H257769  -0.331   0.360   3.919
+ 1715TIP3   OH257770   0.562   1.160   4.114
+ 1715TIP3    H157771   0.624   1.092   4.081
+ 1715TIP3    H257772   0.537   1.125   4.200
+ 1715TIP3   OH257773   0.303   0.545   4.269
+ 1715TIP3    H157774   0.367   0.520   4.202
+ 1715TIP3    H257775   0.366   0.589   4.331
+ 1715TIP3   OH257776   0.640   0.026   4.326
+ 1715TIP3    H157777   0.692  -0.054   4.341
+ 1715TIP3    H257778   0.658   0.044   4.232
+ 1715TIP3   OH257779  -0.040  -0.168   4.044
+ 1715TIP3    H157780  -0.015  -0.085   3.999
+ 1715TIP3    H257781  -0.068  -0.221   3.966
+ 1715TIP3   OH257782   0.754  -0.145   3.867
+ 1715TIP3    H157783   0.807  -0.185   3.940
+ 1715TIP3    H257784   0.825  -0.105   3.815
+ 1715TIP3   OH257785  -0.333   0.097   4.099
+ 1715TIP3    H157786  -0.299   0.026   4.154
+ 1715TIP3    H257787  -0.334   0.054   4.011
+ 1716TIP3   OH257788   0.592   0.711   3.798
+ 1716TIP3    H157789   0.580   0.683   3.707
+ 1716TIP3    H257790   0.546   0.797   3.802
+ 1716TIP3   OH257791   0.926  -0.205   4.068
+ 1716TIP3    H157792   0.926  -0.296   4.106
+ 1716TIP3    H257793   0.982  -0.161   4.134
+ 1716TIP3   OH257794  -0.113  -0.082   4.298
+ 1716TIP3    H157795  -0.138   0.009   4.280
+ 1716TIP3    H257796  -0.113  -0.124   4.209
+ 1716TIP3   OH257797  -0.427   0.659   3.627
+ 1716TIP3    H157798  -0.442   0.708   3.544
+ 1716TIP3    H257799  -0.408   0.730   3.692
+ 1716TIP3   OH257800   0.945   0.746   4.264
+ 1716TIP3    H157801   0.893   0.721   4.343
+ 1716TIP3    H257802   1.020   0.791   4.305
+ 1716TIP3   OH257803   0.260  -0.530   4.176
+ 1716TIP3    H157804   0.260  -0.627   4.182
+ 1716TIP3    H257805   0.177  -0.507   4.223
+ 1716TIP3   OH257806   0.751   1.001   3.961
+ 1716TIP3    H157807   0.797   0.920   3.931
+ 1716TIP3    H257808   0.820   1.068   3.945
+ 1716TIP3   OH257809   0.895   0.787   3.822
+ 1716TIP3    H157810   0.848   0.739   3.752
+ 1716TIP3    H257811   0.892   0.721   3.894
+ 1716TIP3   OH257812   0.460   0.353   3.632
+ 1716TIP3    H157813   0.404   0.413   3.580
+ 1716TIP3    H257814   0.544   0.358   3.583
+ 1716TIP3   OH257815   0.503   0.174   3.347
+ 1716TIP3    H157816   0.572   0.207   3.408
+ 1716TIP3    H257817   0.556   0.119   3.288
+ 1717TIP3   OH257818   0.859   0.348   3.733
+ 1717TIP3    H157819   0.786   0.382   3.790
+ 1717TIP3    H257820   0.906   0.289   3.795
+ 1717TIP3   OH257821   0.080   0.722   4.163
+ 1717TIP3    H157822   0.111   0.723   4.071
+ 1717TIP3    H257823   0.157   0.759   4.211
+ 1717TIP3   OH257824   0.720   0.306   3.497
+ 1717TIP3    H157825   0.777   0.326   3.574
+ 1717TIP3    H257826   0.770   0.353   3.425
+ 1717TIP3   OH257827   0.458   0.961   3.855
+ 1717TIP3    H157828   0.518   0.991   3.924
+ 1717TIP3    H257829   0.420   1.043   3.822
+ 1717TIP3   OH257830   1.066  -0.524   3.443
+ 1717TIP3    H157831   0.979  -0.515   3.486
+ 1717TIP3    H257832   1.102  -0.434   3.449
+ 1717TIP3   OH257833  -0.121   0.328   3.714
+ 1717TIP3    H157834  -0.132   0.398   3.648
+ 1717TIP3    H257835  -0.166   0.254   3.673
+ 1717TIP3   OH257836   1.204   0.889   3.298
+ 1717TIP3    H157837   1.220   0.982   3.322
+ 1717TIP3    H257838   1.291   0.848   3.317
+ 1717TIP3   OH257839  -0.501   0.857   4.239
+ 1717TIP3    H157840  -0.406   0.858   4.254
+ 1717TIP3    H257841  -0.532   0.940   4.280
+ 1717TIP3   OH257842   0.424   1.231   3.699
+ 1717TIP3    H157843   0.424   1.242   3.602
+ 1717TIP3    H257844   0.425   1.323   3.730
+ 1717TIP3   OH257845  -0.198   1.138   3.858
+ 1717TIP3    H157846  -0.182   1.103   3.948
+ 1717TIP3    H257847  -0.286   1.103   3.840
+ 1718TIP3   OH257848   0.755   1.177   3.419
+ 1718TIP3    H157849   0.811   1.111   3.373
+ 1718TIP3    H257850   0.748   1.137   3.508
+ 1718TIP3   OH257851   0.692   1.117   3.697
+ 1718TIP3    H157852   0.597   1.134   3.712
+ 1718TIP3    H257853   0.709   1.046   3.761
+ 1718TIP3   OH257854   0.018  -0.438   4.292
+ 1718TIP3    H157855  -0.065  -0.451   4.242
+ 1718TIP3    H257856   0.019  -0.343   4.308
+ 1718TIP3   OH257857   0.877   0.409   3.296
+ 1718TIP3    H157858   0.857   0.392   3.201
+ 1718TIP3    H257859   0.971   0.433   3.290
+ 1718TIP3   OH257860   0.439  -0.212   3.345
+ 1718TIP3    H157861   0.393  -0.229   3.428
+ 1718TIP3    H257862   0.401  -0.282   3.288
+ 1718TIP3   OH257863   0.015   0.077   3.905
+ 1718TIP3    H157864  -0.077   0.077   3.877
+ 1718TIP3    H257865   0.060   0.062   3.820
+ 1718TIP3   OH257866   0.565   0.125   3.766
+ 1718TIP3    H157867   0.521   0.201   3.722
+ 1718TIP3    H257868   0.635   0.104   3.701
+ 1718TIP3   OH257869   0.642   0.067   4.041
+ 1718TIP3    H157870   0.616   0.112   3.957
+ 1718TIP3    H257871   0.665  -0.021   4.003
+ 1718TIP3   OH257872   0.083  -0.161   3.238
+ 1718TIP3    H157873   0.047  -0.204   3.318
+ 1718TIP3    H257874   0.006  -0.157   3.180
+ 1718TIP3   OH257875  -0.561  -0.169   3.941
+ 1718TIP3    H157876  -0.510  -0.185   4.022
+ 1718TIP3    H257877  -0.515  -0.221   3.874
+ 1719TIP3   OH257878  -0.413  -0.139   3.514
+ 1719TIP3    H157879  -0.357  -0.091   3.449
+ 1719TIP3    H257880  -0.482  -0.073   3.531
+ 1719TIP3   OH257881   0.275  -0.169   3.987
+ 1719TIP3    H157882   0.183  -0.186   4.011
+ 1719TIP3    H257883   0.324  -0.207   4.062
+ 1719TIP3   OH257884  -0.257  -0.046   3.854
+ 1719TIP3    H157885  -0.340  -0.024   3.808
+ 1719TIP3    H257886  -0.224  -0.124   3.805
+ 1719TIP3   OH257887   0.098  -0.012   3.630
+ 1719TIP3    H157888   0.196  -0.016   3.631
+ 1719TIP3    H257889   0.078   0.037   3.548
+ 1719TIP3   OH257890   0.715  -0.303   4.282
+ 1719TIP3    H157891   0.673  -0.281   4.366
+ 1719TIP3    H257892   0.641  -0.303   4.219
+ 1719TIP3   OH257893  -0.053   0.105   3.401
+ 1719TIP3    H157894  -0.112   0.074   3.331
+ 1719TIP3    H257895   0.028   0.125   3.350
+ 1719TIP3   OH257896   0.352   0.085   4.192
+ 1719TIP3    H157897   0.406   0.060   4.116
+ 1719TIP3    H257898   0.368   0.010   4.252
+ 1719TIP3   OH257899  -0.090  -0.282   3.789
+ 1719TIP3    H157900  -0.140  -0.363   3.800
+ 1719TIP3    H257901  -0.009  -0.313   3.746
+ 1719TIP3   OH257902   0.281   0.571   3.584
+ 1719TIP3    H157903   0.213   0.513   3.543
+ 1719TIP3    H257904   0.278   0.545   3.677
+ 1719TIP3   OH257905   0.709  -0.157   3.362
+ 1719TIP3    H157906   0.611  -0.156   3.356
+ 1719TIP3    H257907   0.729  -0.082   3.421
+ 1720TIP3   OH257908   0.776   0.029   3.566
+ 1720TIP3    H157909   0.864   0.011   3.605
+ 1720TIP3    H257910   0.790   0.115   3.524
+ 1720TIP3   OH257911   0.535   0.698   3.475
+ 1720TIP3    H157912   0.509   0.786   3.510
+ 1720TIP3    H257913   0.458   0.645   3.500
+ 1720TIP3   OH257914   1.235   0.025   3.539
+ 1720TIP3    H157915   1.180   0.007   3.461
+ 1720TIP3    H257916   1.249   0.122   3.526
+ 1720TIP3   OH257917   1.054   0.887   3.547
+ 1720TIP3    H157918   1.036   0.810   3.603
+ 1720TIP3    H257919   1.112   0.851   3.478
+ 1720TIP3   OH257920   0.779   0.451   4.236
+ 1720TIP3    H157921   0.699   0.413   4.278
+ 1720TIP3    H257922   0.820   0.372   4.196
+ 1720TIP3   OH257923   0.043   0.830   3.886
+ 1720TIP3    H157924   0.090   0.914   3.871
+ 1720TIP3    H257925  -0.046   0.854   3.861
+ 1720TIP3   OH257926  -0.356   0.310   3.350
+ 1720TIP3    H157927  -0.296   0.374   3.392
+ 1720TIP3    H257928  -0.442   0.339   3.384
+ 1720TIP3   OH257929   0.193   0.575   3.905
+ 1720TIP3    H157930   0.197   0.666   3.872
+ 1720TIP3    H257931   0.110   0.544   3.869
+ 1720TIP3   OH257932   0.089   1.118   3.816
+ 1720TIP3    H157933  -0.006   1.136   3.817
+ 1720TIP3    H257934   0.125   1.206   3.839
+ 1720TIP3   OH257935   0.802   0.730   3.336
+ 1720TIP3    H157936   0.845   0.685   3.411
+ 1720TIP3    H257937   0.710   0.715   3.362
+ 1721TIP3   OH257938   1.276   1.156   3.390
+ 1721TIP3    H157939   1.346   1.220   3.369
+ 1721TIP3    H257940   1.199   1.216   3.389
+ 1721TIP3   OH257941   0.899   0.593   3.578
+ 1721TIP3    H157942   0.878   0.515   3.631
+ 1721TIP3    H257943   0.997   0.591   3.581
+ 1721TIP3   OH257944   0.225   0.836   3.193
+ 1721TIP3    H157945   0.257   0.758   3.143
+ 1721TIP3    H257946   0.185   0.794   3.270
+ 1721TIP3   OH257947   0.107   0.788   3.471
+ 1721TIP3    H157948   0.167   0.736   3.527
+ 1721TIP3    H257949   0.128   0.880   3.497
+ 1721TIP3   OH257950  -0.203   0.529   3.507
+ 1721TIP3    H157951  -0.277   0.568   3.557
+ 1721TIP3    H257952  -0.159   0.609   3.474
+ 1721TIP3   OH257953   0.622  -0.276   3.632
+ 1721TIP3    H157954   0.646  -0.226   3.553
+ 1721TIP3    H257955   0.671  -0.229   3.702
+ 1721TIP3   OH257956   0.405   0.948   3.530
+ 1721TIP3    H157957   0.324   1.001   3.543
+ 1721TIP3    H257958   0.444   0.993   3.453
+ 1721TIP3   OH257959   0.362  -0.077   3.725
+ 1721TIP3    H157960   0.442  -0.023   3.739
+ 1721TIP3    H257961   0.336  -0.098   3.816
+ 1721TIP3   OH257962   0.420  -0.377   3.816
+ 1721TIP3    H157963   0.413  -0.318   3.892
+ 1721TIP3    H257964   0.499  -0.341   3.772
+ 1721TIP3   OH257965   0.131   1.063   3.525
+ 1721TIP3    H157966   0.120   1.141   3.467
+ 1721TIP3    H257967   0.116   1.100   3.614
+ 1722TIP3   OH257968  -0.003  -0.277   3.477
+ 1722TIP3    H157969  -0.000  -0.200   3.536
+ 1722TIP3    H257970   0.079  -0.324   3.502
+ 1722TIP3   OH257971   0.870   0.202   4.143
+ 1722TIP3    H157972   0.798   0.149   4.104
+ 1722TIP3    H257973   0.931   0.131   4.174
+ 1722TIP3   OH257974  -0.164   0.807   3.382
+ 1722TIP3    H157975  -0.092   0.860   3.420
+ 1722TIP3    H257976  -0.114   0.760   3.313
+ 1722TIP3   OH257977  -0.349   0.030   3.295
+ 1722TIP3    H157978  -0.335   0.124   3.315
+ 1722TIP3    H257979  -0.435   0.031   3.253
+ 1722TIP3   OH257980   1.163   1.413   4.376
+ 1722TIP3    H157981   1.138   1.483   4.314
+ 1722TIP3    H257982   1.120   1.338   4.329
+ 1722TIP3   OH257983  -0.260  -0.469   4.172
+ 1722TIP3    H157984  -0.273  -0.469   4.075
+ 1722TIP3    H257985  -0.293  -0.557   4.198
+ 1722TIP3   OH257986  -0.368   0.878   3.796
+ 1722TIP3    H157987  -0.442   0.933   3.825
+ 1722TIP3    H257988  -0.327   0.934   3.729
+ 1722TIP3   OH257989   0.449   1.002   3.252
+ 1722TIP3    H157990   0.374   0.943   3.231
+ 1722TIP3    H257991   0.518   0.962   3.197
+ 1722TIP3   OH257992   0.912   0.996   3.256
+ 1722TIP3    H157993   0.927   0.915   3.306
+ 1722TIP3    H257994   0.990   0.999   3.198
+ 1722TIP3   OH257995  -0.010   0.578   3.228
+ 1722TIP3    H157996   0.008   0.517   3.301
+ 1722TIP3    H257997   0.076   0.576   3.181
+ 1723TIP3   OH257998   0.511   0.709   3.188
+ 1723TIP3    H157999   0.512   0.708   3.285
+ 1723TIP3    H258000   0.510   0.613   3.169
+ 1723TIP3   OH258001   0.102   0.384   3.469
+ 1723TIP3    H158002   0.043   0.328   3.520
+ 1723TIP3    H258003   0.132   0.322   3.400
+ 1723TIP3   OH258004   0.195   0.192   3.289
+ 1723TIP3    H158005   0.191   0.195   3.191
+ 1723TIP3    H258006   0.291   0.184   3.304
+ 1723TIP3   OH258007   1.146   0.439   3.220
+ 1723TIP3    H158008   1.137   0.397   3.133
+ 1723TIP3    H258009   1.136   0.534   3.195
+ 1723TIP3   OH258010   0.174   1.336   3.363
+ 1723TIP3    H158011   0.268   1.331   3.386
+ 1723TIP3    H258012   0.182   1.379   3.275
+ 1723TIP3   OH258013  -0.438   0.750   3.351
+ 1723TIP3    H158014  -0.343   0.771   3.364
+ 1723TIP3    H258015  -0.433   0.673   3.291
+ 1723TIP3   OH258016  -0.579   1.311   3.867
+ 1723TIP3    H158017  -0.626   1.266   3.795
+ 1723TIP3    H258018  -0.557   1.237   3.927
+ 1723TIP3   OH258019  -0.491   1.074   4.016
+ 1723TIP3    H158020  -0.525   0.990   4.050
+ 1723TIP3    H258021  -0.458   1.114   4.099
+ 1723TIP3   OH258022   1.262   1.170   4.272
+ 1723TIP3    H158023   1.252   1.172   4.368
+ 1723TIP3    H258024   1.351   1.207   4.263
+ 1723TIP3   OH258025   1.184   0.578   3.614
+ 1723TIP3    H158026   1.276   0.609   3.629
+ 1723TIP3    H258027   1.176   0.513   3.686
+ 1724TIP3   OH258028   1.234   0.373   3.812
+ 1724TIP3    H158029   1.166   0.317   3.854
+ 1724TIP3    H258030   1.302   0.381   3.882
+ 1724TIP3   OH258031   1.209   0.602   4.329
+ 1724TIP3    H158032   1.271   0.550   4.277
+ 1724TIP3    H258033   1.218   0.690   4.291
+ 1724TIP3   OH258034   1.256   0.316   3.469
+ 1724TIP3    H158035   1.206   0.346   3.391
+ 1724TIP3    H258036   1.245   0.391   3.529
+ 1724TIP3   OH258037   1.082   0.074   3.295
+ 1724TIP3    H158038   1.110   0.132   3.223
+ 1724TIP3    H258039   1.060  -0.009   3.248
+ 1724TIP3   OH258040   1.025   0.181   3.896
+ 1724TIP3    H158041   1.020   0.085   3.882
+ 1724TIP3    H258042   0.990   0.191   3.986
+ 1724TIP3   OH258043  -0.489   0.384   4.262
+ 1724TIP3    H158044  -0.450   0.396   4.174
+ 1724TIP3    H258045  -0.413   0.368   4.320
+ 1724TIP3   OH258046   1.031  -0.192   3.216
+ 1724TIP3    H158047   1.090  -0.242   3.275
+ 1724TIP3    H258048   0.951  -0.247   3.210
+ 1724TIP3   OH258049   1.010  -0.065   3.710
+ 1724TIP3    H158050   1.036  -0.159   3.716
+ 1724TIP3    H258051   1.091  -0.028   3.670
+ 1724TIP3   OH258052   1.036   0.011   4.222
+ 1724TIP3    H158053   1.131  -0.002   4.235
+ 1724TIP3    H258054   0.999  -0.027   4.304
+ 1724TIP3   OH258055   1.059  -0.343   3.707
+ 1724TIP3    H158056   1.072  -0.376   3.797
+ 1724TIP3    H258057   0.979  -0.393   3.680
+ 1725TIP3   OH258058  -0.415  -0.212   4.192
+ 1725TIP3    H158059  -0.389  -0.305   4.203
+ 1725TIP3    H258060  -0.358  -0.171   4.259
+ 1725TIP3   OH258061  -0.576   0.072   4.303
+ 1725TIP3    H158062  -0.535   0.035   4.223
+ 1725TIP3    H258063  -0.549   0.165   4.298
+ 1725TIP3   OH258064   1.255  -0.295   3.373
+ 1725TIP3    H158065   1.288  -0.376   3.329
+ 1725TIP3    H258066   1.336  -0.244   3.385
+ 1725TIP3   OH258067  -0.522  -0.328   3.696
+ 1725TIP3    H158068  -0.616  -0.318   3.672
+ 1725TIP3    H258069  -0.478  -0.268   3.633
+ 1725TIP3   OH258070   0.940   1.207   3.899
+ 1725TIP3    H158071   0.993   1.180   3.821
+ 1725TIP3    H258072   1.008   1.233   3.962
+ 1725TIP3   OH258073  -0.342   1.132   4.252
+ 1725TIP3    H158074  -0.330   1.097   4.340
+ 1725TIP3    H258075  -0.257   1.110   4.208
+ 1725TIP3   OH258076  -0.132   1.014   4.121
+ 1725TIP3    H158077  -0.138   0.920   4.143
+ 1725TIP3    H258078  -0.040   1.037   4.147
+ 1725TIP3   OH258079   0.129   1.066   4.214
+ 1725TIP3    H158080   0.177   0.987   4.187
+ 1725TIP3    H258081   0.145   1.068   4.309
+ 1725TIP3   OH258082   0.469  -0.333   4.123
+ 1725TIP3    H158083   0.412  -0.407   4.153
+ 1725TIP3    H258084   0.540  -0.381   4.076
+ 1725TIP3   OH258085   0.964  -0.457   4.147
+ 1725TIP3    H158086   1.049  -0.500   4.131
+ 1725TIP3    H258087   0.899  -0.524   4.126
+ 1726TIP3   OH258088   1.183  -0.430   3.954
+ 1726TIP3    H158089   1.258  -0.468   3.906
+ 1726TIP3    H258090   1.213  -0.338   3.971
+ 1726TIP3   OH258091  -0.287  -0.486   3.889
+ 1726TIP3    H158092  -0.368  -0.495   3.836
+ 1726TIP3    H258093  -0.243  -0.569   3.870
+ 1726TIP3   OH258094  -0.397  -0.525   3.479
+ 1726TIP3    H158095  -0.348  -0.456   3.430
+ 1726TIP3    H258096  -0.440  -0.472   3.549
+ 1726TIP3   OH258097   0.157  -0.493   3.894
+ 1726TIP3    H158098   0.245  -0.460   3.869
+ 1726TIP3    H258099   0.169  -0.506   3.989
+ 1726TIP3   OH258100   0.687  -0.478   3.997
+ 1726TIP3    H158101   0.743  -0.501   3.922
+ 1726TIP3    H258102   0.674  -0.563   4.041
+ 1726TIP3   OH258103   0.826  -0.483   3.618
+ 1726TIP3    H158104   0.744  -0.434   3.601
+ 1726TIP3    H258105   0.791  -0.574   3.629
+ 1726TIP3   OH258106  -0.398   1.075   3.589
+ 1726TIP3    H158107  -0.462   1.064   3.517
+ 1726TIP3    H258108  -0.395   1.172   3.595
+ 1726TIP3   OH258109  -0.237  -0.340   3.321
+ 1726TIP3    H158110  -0.176  -0.394   3.267
+ 1726TIP3    H258111  -0.177  -0.306   3.390
+ 1726TIP3   OH258112   0.267  -0.319   3.586
+ 1726TIP3    H158113   0.310  -0.377   3.652
+ 1726TIP3    H258114   0.294  -0.233   3.621
+ 1726TIP3   OH258115   0.475   1.254   3.410
+ 1726TIP3    H158116   0.572   1.258   3.401
+ 1726TIP3    H258117   0.454   1.196   3.335
+ 1727TIP3   OH258118   1.126   1.161   3.664
+ 1727TIP3    H158119   1.103   1.076   3.620
+ 1727TIP3    H258120   1.125   1.221   3.588
+ 1727TIP3   OH258121  -0.252   1.162   3.274
+ 1727TIP3    H158122  -0.264   1.195   3.364
+ 1727TIP3    H258123  -0.167   1.114   3.281
+ 1727TIP3   OH258124   2.491   0.404   3.918
+ 1727TIP3    H158125   2.494   0.501   3.929
+ 1727TIP3    H258126   2.414   0.393   3.862
+ 1727TIP3   OH258127   2.393   0.340   4.246
+ 1727TIP3    H158128   2.380   0.266   4.307
+ 1727TIP3    H258129   2.371   0.300   4.161
+ 1727TIP3   OH258130   2.747   0.617   4.043
+ 1727TIP3    H158131   2.707   0.552   4.103
+ 1727TIP3    H258132   2.780   0.680   4.112
+ 1727TIP3   OH258133   1.695   0.760   4.250
+ 1727TIP3    H158134   1.674   0.670   4.220
+ 1727TIP3    H258135   1.793   0.750   4.254
+ 1727TIP3   OH258136   1.393   0.111   3.778
+ 1727TIP3    H158137   1.355   0.200   3.787
+ 1727TIP3    H258138   1.321   0.062   3.737
+ 1727TIP3   OH258139   1.469   0.348   3.975
+ 1727TIP3    H158140   1.493   0.269   4.028
+ 1727TIP3    H258141   1.553   0.368   3.932
+ 1727TIP3   OH258142   2.423   1.117   4.115
+ 1727TIP3    H158143   2.515   1.116   4.084
+ 1727TIP3    H258144   2.434   1.128   4.210
+ 1727TIP3   OH258145   2.192   0.570   4.284
+ 1727TIP3    H158146   2.232   0.507   4.222
+ 1727TIP3    H258147   2.273   0.608   4.322
+ 1728TIP3   OH258148   2.539   0.044   4.322
+ 1728TIP3    H158149   2.582  -0.041   4.339
+ 1728TIP3    H258150   2.545   0.052   4.225
+ 1728TIP3   OH258151   1.849  -0.168   4.043
+ 1728TIP3    H158152   1.868  -0.083   3.998
+ 1728TIP3    H258153   1.818  -0.220   3.967
+ 1728TIP3   OH258154   2.639  -0.147   3.866
+ 1728TIP3    H158155   2.692  -0.187   3.939
+ 1728TIP3    H258156   2.710  -0.104   3.816
+ 1728TIP3   OH258157   1.543   0.095   4.102
+ 1728TIP3    H158158   1.597   0.034   4.153
+ 1728TIP3    H258159   1.549   0.054   4.013
+ 1728TIP3   OH258160   2.061   0.239   4.066
+ 1728TIP3    H158161   2.130   0.174   4.085
+ 1728TIP3    H258162   2.010   0.194   3.995
+ 1728TIP3   OH258163   2.498   0.702   3.778
+ 1728TIP3    H158164   2.429   0.655   3.729
+ 1728TIP3    H258165   2.447   0.779   3.810
+ 1728TIP3   OH258166   2.814  -0.207   4.067
+ 1728TIP3    H158167   2.812  -0.297   4.107
+ 1728TIP3    H258168   2.866  -0.161   4.136
+ 1728TIP3   OH258169   1.772  -0.077   4.297
+ 1728TIP3    H158170   1.765   0.016   4.275
+ 1728TIP3    H258171   1.774  -0.120   4.209
+ 1728TIP3   OH258172   1.459   0.660   3.628
+ 1728TIP3    H158173   1.443   0.710   3.546
+ 1728TIP3    H258174   1.478   0.729   3.694
+ 1728TIP3   OH258175   2.821   0.757   4.257
+ 1728TIP3    H158176   2.749   0.750   4.324
+ 1728TIP3    H258177   2.857   0.843   4.278
+ 1729TIP3   OH258178   2.147  -0.530   4.178
+ 1729TIP3    H158179   2.143  -0.627   4.182
+ 1729TIP3    H258180   2.063  -0.505   4.223
+ 1729TIP3   OH258181   2.653   0.992   3.978
+ 1729TIP3    H158182   2.691   0.918   3.927
+ 1729TIP3    H258183   2.695   1.070   3.939
+ 1729TIP3   OH258184   2.791   0.774   3.813
+ 1729TIP3    H158185   2.716   0.739   3.762
+ 1729TIP3    H258186   2.782   0.721   3.894
+ 1729TIP3   OH258187   2.349   0.351   3.626
+ 1729TIP3    H158188   2.279   0.420   3.621
+ 1729TIP3    H258189   2.411   0.380   3.558
+ 1729TIP3   OH258190   2.390   0.177   3.342
+ 1729TIP3    H158191   2.454   0.206   3.409
+ 1729TIP3    H258192   2.445   0.117   3.289
+ 1729TIP3   OH258193   2.712   0.357   3.750
+ 1729TIP3    H158194   2.643   0.380   3.816
+ 1729TIP3    H258195   2.769   0.299   3.802
+ 1729TIP3   OH258196   1.855   0.432   3.947
+ 1729TIP3    H158197   1.848   0.422   3.851
+ 1729TIP3    H258198   1.948   0.412   3.961
+ 1729TIP3   OH258199   1.969   0.735   4.169
+ 1729TIP3    H158200   1.973   0.735   4.072
+ 1729TIP3    H258201   2.063   0.739   4.194
+ 1729TIP3   OH258202   1.890   0.315   4.274
+ 1729TIP3    H158203   1.952   0.306   4.199
+ 1729TIP3    H258204   1.947   0.354   4.342
+ 1729TIP3   OH258205   2.612   0.297   3.493
+ 1729TIP3    H158206   2.649   0.330   3.577
+ 1729TIP3    H258207   2.659   0.355   3.428
+ 1730TIP3   OH258208   2.371   0.976   3.856
+ 1730TIP3    H158209   2.394   1.005   3.946
+ 1730TIP3    H258210   2.301   1.038   3.832
+ 1730TIP3   OH258211   2.950  -0.523   3.440
+ 1730TIP3    H158212   2.864  -0.516   3.485
+ 1730TIP3    H258213   2.986  -0.433   3.452
+ 1730TIP3   OH258214   1.767   0.305   3.681
+ 1730TIP3    H158215   1.755   0.382   3.623
+ 1730TIP3    H258216   1.699   0.245   3.649
+ 1730TIP3   OH258217   3.092   0.891   3.291
+ 1730TIP3    H158218   3.105   0.982   3.321
+ 1730TIP3    H258219   3.176   0.849   3.317
+ 1730TIP3   OH258220   1.382   0.850   4.247
+ 1730TIP3    H158221   1.479   0.846   4.243
+ 1730TIP3    H258222   1.367   0.940   4.279
+ 1730TIP3   OH258223   2.282   1.269   3.701
+ 1730TIP3    H158224   2.313   1.255   3.611
+ 1730TIP3    H258225   2.342   1.336   3.738
+ 1730TIP3   OH258226   1.684   1.151   3.865
+ 1730TIP3    H158227   1.706   1.100   3.945
+ 1730TIP3    H258228   1.605   1.105   3.835
+ 1730TIP3   OH258229   2.635   1.174   3.411
+ 1730TIP3    H158230   2.692   1.105   3.373
+ 1730TIP3    H258231   2.629   1.145   3.505
+ 1730TIP3   OH258232   2.579   1.120   3.697
+ 1730TIP3    H158233   2.487   1.140   3.718
+ 1730TIP3    H258234   2.588   1.042   3.753
+ 1730TIP3   OH258235   1.903  -0.440   4.292
+ 1730TIP3    H158236   1.820  -0.450   4.242
+ 1730TIP3    H258237   1.909  -0.344   4.306
+ 1731TIP3   OH258238   2.762   0.411   3.293
+ 1731TIP3    H158239   2.745   0.389   3.200
+ 1731TIP3    H258240   2.856   0.433   3.292
+ 1731TIP3   OH258241   2.329  -0.214   3.345
+ 1731TIP3    H158242   2.278  -0.224   3.427
+ 1731TIP3    H258243   2.286  -0.282   3.290
+ 1731TIP3   OH258244   1.893   0.058   3.886
+ 1731TIP3    H158245   1.797   0.060   3.868
+ 1731TIP3    H258246   1.927   0.045   3.796
+ 1731TIP3   OH258247   2.446   0.130   3.760
+ 1731TIP3    H158248   2.403   0.210   3.721
+ 1731TIP3    H258249   2.513   0.111   3.693
+ 1731TIP3   OH258250   2.529   0.063   4.040
+ 1731TIP3    H158251   2.500   0.118   3.964
+ 1731TIP3    H258252   2.551  -0.020   3.992
+ 1731TIP3   OH258253   1.970  -0.171   3.233
+ 1731TIP3    H158254   1.936  -0.202   3.319
+ 1731TIP3    H258255   1.889  -0.156   3.183
+ 1731TIP3   OH258256   1.316  -0.180   3.944
+ 1731TIP3    H158257   1.374  -0.183   4.022
+ 1731TIP3    H258258   1.369  -0.219   3.874
+ 1731TIP3   OH258259   1.472  -0.139   3.512
+ 1731TIP3    H158260   1.529  -0.090   3.449
+ 1731TIP3    H258261   1.404  -0.072   3.532
+ 1731TIP3   OH258262   2.159  -0.172   3.984
+ 1731TIP3    H158263   2.066  -0.182   4.008
+ 1731TIP3    H258264   2.205  -0.201   4.065
+ 1731TIP3   OH258265   1.618  -0.056   3.857
+ 1731TIP3    H158266   1.541  -0.025   3.807
+ 1731TIP3    H258267   1.651  -0.131   3.804
+ 1732TIP3   OH258268   1.988  -0.024   3.617
+ 1732TIP3    H158269   2.084  -0.010   3.626
+ 1732TIP3    H258270   1.960   0.041   3.551
+ 1732TIP3   OH258271   2.601  -0.309   4.283
+ 1732TIP3    H158272   2.563  -0.276   4.365
+ 1732TIP3    H258273   2.528  -0.305   4.220
+ 1732TIP3   OH258274   1.831   0.099   3.399
+ 1732TIP3    H158275   1.774   0.076   3.325
+ 1732TIP3    H258276   1.911   0.129   3.353
+ 1732TIP3   OH258277   2.257   0.063   4.192
+ 1732TIP3    H158278   2.327   0.031   4.134
+ 1732TIP3    H258279   2.261  -0.001   4.264
+ 1732TIP3   OH258280   1.799  -0.280   3.786
+ 1732TIP3    H158281   1.744  -0.360   3.799
+ 1732TIP3    H258282   1.879  -0.317   3.746
+ 1732TIP3   OH258283   2.596  -0.148   3.353
+ 1732TIP3    H158284   2.498  -0.157   3.356
+ 1732TIP3    H258285   2.614  -0.082   3.424
+ 1732TIP3   OH258286   2.662   0.026   3.561
+ 1732TIP3    H158287   2.749   0.012   3.605
+ 1732TIP3    H258288   2.671   0.117   3.527
+ 1732TIP3   OH258289   1.685   0.474   4.169
+ 1732TIP3    H158290   1.741   0.479   4.089
+ 1732TIP3    H258291   1.734   0.404   4.217
+ 1732TIP3   OH258292   2.389   0.687   3.470
+ 1732TIP3    H158293   2.384   0.769   3.523
+ 1732TIP3    H258294   2.319   0.638   3.517
+ 1732TIP3   OH258295   3.124   0.024   3.537
+ 1732TIP3    H158296   3.065   0.005   3.462
+ 1732TIP3    H258297   3.134   0.120   3.526
+ 1733TIP3   OH258298   2.942   0.889   3.546
+ 1733TIP3    H158299   2.912   0.818   3.605
+ 1733TIP3    H258300   2.998   0.842   3.482
+ 1733TIP3   OH258301   2.656   0.435   4.251
+ 1733TIP3    H158302   2.564   0.406   4.265
+ 1733TIP3    H258303   2.693   0.360   4.201
+ 1733TIP3   OH258304   1.910   0.846   3.918
+ 1733TIP3    H158305   1.988   0.876   3.869
+ 1733TIP3    H258306   1.843   0.842   3.849
+ 1733TIP3   OH258307   1.529   0.310   3.349
+ 1733TIP3    H158308   1.589   0.375   3.390
+ 1733TIP3    H258309   1.443   0.338   3.385
+ 1733TIP3   OH258310   1.979   1.124   3.804
+ 1733TIP3    H158311   1.885   1.132   3.824
+ 1733TIP3    H258312   2.015   1.209   3.833
+ 1733TIP3   OH258313   2.682   0.730   3.340
+ 1733TIP3    H158314   2.722   0.683   3.416
+ 1733TIP3    H258315   2.589   0.713   3.360
+ 1733TIP3   OH258316   3.165   1.154   3.386
+ 1733TIP3    H158317   3.231   1.222   3.367
+ 1733TIP3    H258318   3.087   1.212   3.396
+ 1733TIP3   OH258319   2.785   0.586   3.565
+ 1733TIP3    H158320   2.752   0.523   3.632
+ 1733TIP3    H258321   2.879   0.592   3.589
+ 1733TIP3   OH258322   2.115   0.833   3.186
+ 1733TIP3    H158323   2.143   0.751   3.141
+ 1733TIP3    H258324   2.076   0.796   3.268
+ 1733TIP3   OH258325   2.019   0.775   3.460
+ 1733TIP3    H158326   2.053   0.718   3.532
+ 1733TIP3    H258327   2.022   0.863   3.502
+ 1734TIP3   OH258328   1.676   0.529   3.499
+ 1734TIP3    H158329   1.608   0.569   3.558
+ 1734TIP3    H258330   1.732   0.605   3.480
+ 1734TIP3   OH258331   2.515  -0.281   3.632
+ 1734TIP3    H158332   2.527  -0.222   3.556
+ 1734TIP3    H258333   2.554  -0.230   3.705
+ 1734TIP3   OH258334   2.304   0.970   3.534
+ 1734TIP3    H158335   2.211   0.994   3.546
+ 1734TIP3    H258336   2.322   0.998   3.444
+ 1734TIP3   OH258337   2.256  -0.079   3.727
+ 1734TIP3    H158338   2.327  -0.014   3.744
+ 1734TIP3    H258339   2.223  -0.097   3.817
+ 1734TIP3   OH258340   2.306  -0.378   3.818
+ 1734TIP3    H158341   2.294  -0.315   3.891
+ 1734TIP3    H258342   2.383  -0.340   3.773
+ 1734TIP3   OH258343   2.005   1.053   3.527
+ 1734TIP3    H158344   2.003   1.137   3.477
+ 1734TIP3    H258345   2.000   1.084   3.619
+ 1734TIP3   OH258346   1.884  -0.276   3.474
+ 1734TIP3    H158347   1.886  -0.199   3.534
+ 1734TIP3    H258348   1.965  -0.323   3.502
+ 1734TIP3   OH258349   2.760   0.202   4.135
+ 1734TIP3    H158350   2.681   0.153   4.107
+ 1734TIP3    H258351   2.816   0.130   4.172
+ 1734TIP3   OH258352   1.729   0.813   3.383
+ 1734TIP3    H158353   1.802   0.864   3.422
+ 1734TIP3    H258354   1.779   0.758   3.321
+ 1734TIP3   OH258355   1.539   0.030   3.291
+ 1734TIP3    H158356   1.552   0.123   3.316
+ 1734TIP3    H258357   1.451   0.031   3.253
+ 1735TIP3   OH258358   2.897   1.172   4.329
+ 1735TIP3    H158359   2.844   1.222   4.263
+ 1735TIP3    H258360   2.977   1.152   4.279
+ 1735TIP3   OH258361   1.627  -0.470   4.172
+ 1735TIP3    H158362   1.612  -0.466   4.075
+ 1735TIP3    H258363   1.592  -0.557   4.195
+ 1735TIP3   OH258364   1.516   0.879   3.799
+ 1735TIP3    H158365   1.441   0.936   3.821
+ 1735TIP3    H258366   1.560   0.931   3.730
+ 1735TIP3   OH258367   2.333   1.004   3.241
+ 1735TIP3    H158368   2.255   0.945   3.235
+ 1735TIP3    H258369   2.402   0.943   3.213
+ 1735TIP3   OH258370   2.798   0.992   3.249
+ 1735TIP3    H158371   2.809   0.915   3.308
+ 1735TIP3    H258372   2.882   0.994   3.202
+ 1735TIP3   OH258373   1.877   0.575   3.229
+ 1735TIP3    H158374   1.894   0.519   3.308
+ 1735TIP3    H258375   1.965   0.573   3.189
+ 1735TIP3   OH258376   2.405   0.713   3.192
+ 1735TIP3    H158377   2.387   0.705   3.289
+ 1735TIP3    H258378   2.394   0.619   3.167
+ 1735TIP3   OH258379   1.972   0.394   3.434
+ 1735TIP3    H158380   1.954   0.365   3.524
+ 1735TIP3    H258381   2.017   0.317   3.396
+ 1735TIP3   OH258382   2.082   0.182   3.288
+ 1735TIP3    H158383   2.076   0.196   3.192
+ 1735TIP3    H258384   2.178   0.184   3.303
+ 1735TIP3   OH258385   3.034   0.441   3.220
+ 1735TIP3    H158386   3.019   0.397   3.135
+ 1735TIP3    H258387   3.019   0.535   3.197
+ 1736TIP3   OH258388   2.056   1.312   3.395
+ 1736TIP3    H158389   2.151   1.324   3.413
+ 1736TIP3    H258390   2.048   1.357   3.310
+ 1736TIP3   OH258391   1.449   0.752   3.348
+ 1736TIP3    H158392   1.545   0.767   3.365
+ 1736TIP3    H258393   1.451   0.672   3.293
+ 1736TIP3   OH258394   1.344   1.272   3.826
+ 1736TIP3    H158395   1.275   1.232   3.770
+ 1736TIP3    H258396   1.359   1.202   3.893
+ 1736TIP3   OH258397   1.391   1.070   4.017
+ 1736TIP3    H158398   1.357   0.983   4.044
+ 1736TIP3    H258399   1.418   1.104   4.105
+ 1736TIP3   OH258400   3.161   1.208   4.269
+ 1736TIP3    H158401   3.135   1.196   4.362
+ 1736TIP3    H258402   3.257   1.212   4.278
+ 1736TIP3   OH258403   3.076   0.576   3.611
+ 1736TIP3    H158404   3.166   0.605   3.634
+ 1736TIP3    H258405   3.058   0.515   3.684
+ 1736TIP3   OH258406   3.126   0.366   3.815
+ 1736TIP3    H158407   3.050   0.317   3.854
+ 1736TIP3    H258408   3.183   0.383   3.892
+ 1736TIP3   OH258409   3.094   0.606   4.336
+ 1736TIP3    H158410   3.146   0.554   4.273
+ 1736TIP3    H258411   3.076   0.688   4.288
+ 1736TIP3   OH258412   3.147   0.320   3.467
+ 1736TIP3    H158413   3.092   0.347   3.391
+ 1736TIP3    H258414   3.128   0.392   3.529
+ 1736TIP3   OH258415   2.968   0.075   3.294
+ 1736TIP3    H158416   2.996   0.131   3.220
+ 1736TIP3    H258417   2.945  -0.009   3.250
+ 1737TIP3   OH258418   2.911   0.186   3.894
+ 1737TIP3    H158419   2.904   0.091   3.878
+ 1737TIP3    H258420   2.872   0.196   3.983
+ 1737TIP3   OH258421   1.396   0.374   4.262
+ 1737TIP3    H158422   1.431   0.399   4.175
+ 1737TIP3    H258423   1.477   0.371   4.316
+ 1737TIP3   OH258424   2.918  -0.192   3.213
+ 1737TIP3    H158425   2.976  -0.241   3.275
+ 1737TIP3    H258426   2.837  -0.245   3.212
+ 1737TIP3   OH258427   2.897  -0.063   3.709
+ 1737TIP3    H158428   2.919  -0.159   3.717
+ 1737TIP3    H258429   2.980  -0.030   3.670
+ 1737TIP3   OH258430   2.922   0.010   4.223
+ 1737TIP3    H158431   3.016  -0.001   4.240
+ 1737TIP3    H258432   2.882  -0.029   4.304
+ 1737TIP3   OH258433   2.945  -0.343   3.706
+ 1737TIP3    H158434   2.959  -0.377   3.796
+ 1737TIP3    H258435   2.865  -0.393   3.679
+ 1737TIP3   OH258436   1.467  -0.213   4.194
+ 1737TIP3    H158437   1.498  -0.305   4.204
+ 1737TIP3    H258438   1.528  -0.168   4.254
+ 1737TIP3   OH258439   1.311   0.074   4.303
+ 1737TIP3    H158440   1.353   0.037   4.224
+ 1737TIP3    H258441   1.339   0.167   4.297
+ 1737TIP3   OH258442   3.142  -0.292   3.370
+ 1737TIP3    H158443   3.172  -0.378   3.335
+ 1737TIP3    H258444   3.226  -0.246   3.385
+ 1737TIP3   OH258445   1.367  -0.326   3.691
+ 1737TIP3    H158446   1.271  -0.318   3.672
+ 1737TIP3    H258447   1.407  -0.263   3.628
+ 1738TIP3   OH258448   2.832   1.217   3.891
+ 1738TIP3    H158449   2.883   1.173   3.821
+ 1738TIP3    H258450   2.897   1.233   3.960
+ 1738TIP3   OH258451   1.533   1.110   4.260
+ 1738TIP3    H158452   1.567   1.108   4.351
+ 1738TIP3    H258453   1.615   1.085   4.212
+ 1738TIP3   OH258454   1.751   1.023   4.124
+ 1738TIP3    H158455   1.746   0.926   4.132
+ 1738TIP3    H258456   1.846   1.037   4.143
+ 1738TIP3   OH258457   2.018   1.074   4.213
+ 1738TIP3    H158458   2.058   0.996   4.174
+ 1738TIP3    H258459   2.035   1.060   4.307
+ 1738TIP3   OH258460   2.357  -0.332   4.126
+ 1738TIP3    H158461   2.297  -0.405   4.153
+ 1738TIP3    H258462   2.425  -0.381   4.076
+ 1738TIP3   OH258463   2.851  -0.459   4.153
+ 1738TIP3    H158464   2.935  -0.501   4.128
+ 1738TIP3    H258465   2.783  -0.520   4.122
+ 1738TIP3   OH258466   3.065  -0.427   3.953
+ 1738TIP3    H158467   3.142  -0.471   3.912
+ 1738TIP3    H258468   3.098  -0.338   3.971
+ 1738TIP3   OH258469   1.594  -0.471   3.890
+ 1738TIP3    H158470   1.509  -0.484   3.843
+ 1738TIP3    H258471   1.638  -0.556   3.873
+ 1738TIP3   OH258472   1.476  -0.521   3.477
+ 1738TIP3    H158473   1.527  -0.455   3.426
+ 1738TIP3    H258474   1.436  -0.466   3.547
+ 1738TIP3   OH258475   2.046  -0.495   3.891
+ 1738TIP3    H158476   2.133  -0.458   3.871
+ 1738TIP3    H258477   2.050  -0.504   3.987
+ 1739TIP3   OH258478   2.577  -0.478   3.999
+ 1739TIP3    H158479   2.627  -0.502   3.920
+ 1739TIP3    H258480   2.559  -0.564   4.040
+ 1739TIP3   OH258481   2.713  -0.484   3.615
+ 1739TIP3    H158482   2.632  -0.431   3.606
+ 1739TIP3    H258483   2.676  -0.573   3.629
+ 1739TIP3   OH258484   1.494   1.075   3.594
+ 1739TIP3    H158485   1.430   1.063   3.521
+ 1739TIP3    H258486   1.494   1.171   3.601
+ 1739TIP3   OH258487   1.648  -0.339   3.321
+ 1739TIP3    H158488   1.709  -0.394   3.270
+ 1739TIP3    H258489   1.707  -0.305   3.391
+ 1739TIP3   OH258490   2.157  -0.322   3.583
+ 1739TIP3    H158491   2.195  -0.375   3.654
+ 1739TIP3    H258492   2.174  -0.233   3.619
+ 1739TIP3   OH258493   2.365   1.267   3.397
+ 1739TIP3    H158494   2.462   1.259   3.402
+ 1739TIP3    H258495   2.343   1.190   3.342
+ 1739TIP3   OH258496   3.020   1.158   3.660
+ 1739TIP3    H158497   2.989   1.076   3.618
+ 1739TIP3    H258498   2.999   1.224   3.592
+ 1739TIP3   OH258499   1.639   1.171   3.273
+ 1739TIP3    H158500   1.615   1.197   3.363
+ 1739TIP3    H258501   1.715   1.112   3.288
+ 1739TIP3   OH258502   4.215   0.341   4.222
+ 1739TIP3    H158503   4.265   0.302   4.297
+ 1739TIP3    H258504   4.235   0.280   4.150
+ 1739TIP3   OH258505   3.280   0.123   3.779
+ 1739TIP3    H158506   3.228   0.205   3.783
+ 1739TIP3    H258507   3.214   0.059   3.749
+ 1740TIP3   OH258508   3.372   0.358   3.989
+ 1740TIP3    H158509   3.378   0.269   4.029
+ 1740TIP3    H258510   3.436   0.350   3.917
+ 1740TIP3   OH258511   4.052   0.564   4.251
+ 1740TIP3    H158512   4.103   0.489   4.214
+ 1740TIP3    H258513   4.126   0.602   4.304
+ 1740TIP3   OH258514   3.736  -0.168   4.042
+ 1740TIP3    H158515   3.753  -0.085   3.994
+ 1740TIP3    H258516   3.706  -0.226   3.969
+ 1740TIP3   OH258517   3.438   0.101   4.097
+ 1740TIP3    H158518   3.473   0.035   4.157
+ 1740TIP3    H258519   3.434   0.051   4.014
+ 1740TIP3   OH258520   3.938   0.239   4.057
+ 1740TIP3    H158521   4.016   0.185   4.082
+ 1740TIP3    H258522   3.895   0.178   3.994
+ 1740TIP3   OH258523   3.666  -0.077   4.300
+ 1740TIP3    H158524   3.642   0.014   4.279
+ 1740TIP3    H258525   3.657  -0.123   4.215
+ 1740TIP3   OH258526   3.353   0.660   3.627
+ 1740TIP3    H158527   3.324   0.708   3.547
+ 1740TIP3    H258528   3.364   0.731   3.693
+ 1740TIP3   OH258529   4.043  -0.533   4.187
+ 1740TIP3    H158530   4.027  -0.629   4.186
+ 1740TIP3    H258531   3.957  -0.500   4.218
+ 1740TIP3   OH258532   4.268   0.347   3.634
+ 1740TIP3    H158533   4.200   0.412   3.610
+ 1740TIP3    H258534   4.332   0.359   3.564
+ 1740TIP3   OH258535   4.291   0.192   3.349
+ 1740TIP3    H158536   4.365   0.183   3.410
+ 1740TIP3    H258537   4.292   0.110   3.300
+ 1741TIP3   OH258538   3.763   0.441   3.927
+ 1741TIP3    H158539   3.720   0.396   3.851
+ 1741TIP3    H258540   3.813   0.367   3.967
+ 1741TIP3   OH258541   3.784   0.326   4.274
+ 1741TIP3    H158542   3.849   0.300   4.206
+ 1741TIP3    H258543   3.839   0.335   4.353
+ 1741TIP3   OH258544   4.242   0.958   3.850
+ 1741TIP3    H158545   4.299   1.005   3.914
+ 1741TIP3    H258546   4.202   1.031   3.803
+ 1741TIP3   OH258547   3.648   0.315   3.684
+ 1741TIP3    H158548   3.625   0.384   3.620
+ 1741TIP3    H258549   3.589   0.242   3.657
+ 1741TIP3   OH258550   3.265   0.861   4.225
+ 1741TIP3    H158551   3.355   0.850   4.256
+ 1741TIP3    H258552   3.230   0.926   4.287
+ 1741TIP3   OH258553   4.184   1.233   3.698
+ 1741TIP3    H158554   4.205   1.237   3.604
+ 1741TIP3    H258555   4.206   1.321   3.731
+ 1741TIP3   OH258556   3.575   1.146   3.864
+ 1741TIP3    H158557   3.584   1.099   3.949
+ 1741TIP3    H258558   3.490   1.110   3.833
+ 1741TIP3   OH258559   3.791  -0.437   4.292
+ 1741TIP3    H158560   3.710  -0.457   4.243
+ 1741TIP3    H258561   3.784  -0.342   4.308
+ 1741TIP3   OH258562   4.228  -0.205   3.350
+ 1741TIP3    H158563   4.173  -0.229   3.427
+ 1741TIP3    H258564   4.202  -0.275   3.289
+ 1741TIP3   OH258565   3.776   0.070   3.882
+ 1741TIP3    H158566   3.681   0.055   3.868
+ 1741TIP3    H258567   3.811   0.043   3.795
+ 1742TIP3   OH258568   4.276   0.116   3.838
+ 1742TIP3    H158569   4.273   0.207   3.805
+ 1742TIP3    H258570   4.369   0.101   3.860
+ 1742TIP3   OH258571   3.859  -0.155   3.237
+ 1742TIP3    H158572   3.825  -0.198   3.318
+ 1742TIP3    H258573   3.782  -0.158   3.178
+ 1742TIP3   OH258574   3.214  -0.162   3.940
+ 1742TIP3    H158575   3.260  -0.187   4.021
+ 1742TIP3    H258576   3.250  -0.222   3.872
+ 1742TIP3   OH258577   3.359  -0.138   3.511
+ 1742TIP3    H158578   3.414  -0.088   3.447
+ 1742TIP3    H258579   3.289  -0.074   3.532
+ 1742TIP3   OH258580   4.048  -0.182   3.984
+ 1742TIP3    H158581   3.954  -0.198   4.003
+ 1742TIP3    H258582   4.087  -0.198   4.072
+ 1742TIP3   OH258583   3.515  -0.050   3.848
+ 1742TIP3    H158584   3.427  -0.032   3.811
+ 1742TIP3    H258585   3.539  -0.135   3.806
+ 1742TIP3   OH258586   3.873  -0.020   3.622
+ 1742TIP3    H158587   3.970  -0.012   3.626
+ 1742TIP3    H258588   3.847   0.039   3.550
+ 1742TIP3   OH258589   3.721   0.110   3.398
+ 1742TIP3    H158590   3.659   0.074   3.333
+ 1742TIP3    H258591   3.803   0.115   3.346
+ 1742TIP3   OH258592   4.128   0.059   4.153
+ 1742TIP3    H158593   4.188   0.013   4.092
+ 1742TIP3    H258594   4.152   0.018   4.238
+ 1742TIP3   OH258595   3.676  -0.291   3.784
+ 1742TIP3    H158596   3.625  -0.371   3.804
+ 1742TIP3    H258597   3.760  -0.329   3.756
+ 1743TIP3   OH258598   4.067   0.553   3.584
+ 1743TIP3    H158599   3.994   0.499   3.545
+ 1743TIP3    H258600   4.053   0.543   3.679
+ 1743TIP3   OH258601   3.583   0.507   4.172
+ 1743TIP3    H158602   3.610   0.483   4.082
+ 1743TIP3    H258603   3.600   0.425   4.220
+ 1743TIP3   OH258604   4.287   0.690   3.482
+ 1743TIP3    H158605   4.260   0.779   3.512
+ 1743TIP3    H258606   4.211   0.637   3.513
+ 1743TIP3   OH258607   3.811   0.831   3.930
+ 1743TIP3    H158608   3.860   0.909   3.895
+ 1743TIP3    H258609   3.728   0.840   3.880
+ 1743TIP3   OH258610   3.414   0.310   3.349
+ 1743TIP3    H158611   3.471   0.377   3.391
+ 1743TIP3    H258612   3.326   0.333   3.388
+ 1743TIP3   OH258613   3.989   0.604   3.907
+ 1743TIP3    H158614   3.970   0.685   3.857
+ 1743TIP3    H258615   3.914   0.545   3.885
+ 1743TIP3   OH258616   3.859   1.117   3.813
+ 1743TIP3    H158617   3.764   1.136   3.820
+ 1743TIP3    H258618   3.897   1.204   3.837
+ 1743TIP3   OH258619   3.994   0.838   3.194
+ 1743TIP3    H158620   4.029   0.762   3.144
+ 1743TIP3    H258621   3.955   0.793   3.271
+ 1743TIP3   OH258622   3.882   0.781   3.472
+ 1743TIP3    H158623   3.941   0.730   3.530
+ 1743TIP3    H258624   3.900   0.874   3.499
+ 1743TIP3   OH258625   3.569   0.531   3.506
+ 1743TIP3    H158626   3.494   0.568   3.557
+ 1743TIP3    H258627   3.612   0.612   3.475
+ 1744TIP3   OH258628   4.166   0.946   3.522
+ 1744TIP3    H158629   4.088   1.000   3.543
+ 1744TIP3    H258630   4.211   1.002   3.458
+ 1744TIP3   OH258631   4.138  -0.085   3.727
+ 1744TIP3    H158632   4.200  -0.018   3.763
+ 1744TIP3    H258633   4.099  -0.114   3.812
+ 1744TIP3   OH258634   4.199  -0.384   3.850
+ 1744TIP3    H158635   4.164  -0.305   3.896
+ 1744TIP3    H258636   4.270  -0.347   3.795
+ 1744TIP3   OH258637   3.895   1.054   3.528
+ 1744TIP3    H158638   3.891   1.135   3.472
+ 1744TIP3    H258639   3.881   1.091   3.617
+ 1744TIP3   OH258640   3.769  -0.272   3.468
+ 1744TIP3    H158641   3.770  -0.205   3.538
+ 1744TIP3    H258642   3.836  -0.336   3.498
+ 1744TIP3   OH258643   3.611   0.811   3.381
+ 1744TIP3    H158644   3.684   0.860   3.421
+ 1744TIP3    H258645   3.660   0.760   3.314
+ 1744TIP3   OH258646   3.428   0.033   3.288
+ 1744TIP3    H158647   3.434   0.127   3.315
+ 1744TIP3    H258648   3.336   0.027   3.258
+ 1744TIP3   OH258649   3.503  -0.467   4.165
+ 1744TIP3    H158650   3.503  -0.478   4.068
+ 1744TIP3    H258651   3.482  -0.557   4.194
+ 1744TIP3   OH258652   3.409   0.883   3.799
+ 1744TIP3    H158653   3.330   0.930   3.829
+ 1744TIP3    H258654   3.438   0.938   3.725
+ 1744TIP3   OH258655   4.231   1.003   3.225
+ 1744TIP3    H158656   4.148   0.951   3.226
+ 1744TIP3    H258657   4.294   0.930   3.212
+ 1745TIP3   OH258658   3.763   0.580   3.227
+ 1745TIP3    H158659   3.777   0.519   3.301
+ 1745TIP3    H258660   3.849   0.574   3.181
+ 1745TIP3   OH258661   4.260   0.711   3.183
+ 1745TIP3    H158662   4.279   0.721   3.278
+ 1745TIP3    H258663   4.245   0.615   3.177
+ 1745TIP3   OH258664   3.875   0.384   3.464
+ 1745TIP3    H158665   3.807   0.334   3.513
+ 1745TIP3    H258666   3.903   0.316   3.399
+ 1745TIP3   OH258667   3.980   0.190   3.290
+ 1745TIP3    H158668   3.969   0.189   3.194
+ 1745TIP3    H258669   4.076   0.197   3.299
+ 1745TIP3   OH258670   3.957   1.307   3.398
+ 1745TIP3    H158671   4.053   1.316   3.405
+ 1745TIP3    H258672   3.940   1.357   3.317
+ 1745TIP3   OH258673   3.333   0.752   3.349
+ 1745TIP3    H158674   3.429   0.769   3.364
+ 1745TIP3    H258675   3.336   0.672   3.293
+ 1745TIP3   OH258676   3.239   1.268   3.820
+ 1745TIP3    H158677   3.164   1.232   3.767
+ 1745TIP3    H258678   3.242   1.203   3.893
+ 1745TIP3   OH258679   3.277   1.069   4.019
+ 1745TIP3    H158680   3.244   0.983   4.049
+ 1745TIP3    H258681   3.294   1.109   4.106
+ 1745TIP3   OH258682   3.279   0.375   4.260
+ 1745TIP3    H158683   3.319   0.400   4.175
+ 1745TIP3    H258684   3.355   0.370   4.320
+ 1745TIP3   OH258685   3.355  -0.211   4.192
+ 1745TIP3    H158686   3.378  -0.305   4.199
+ 1745TIP3    H258687   3.414  -0.174   4.258
+ 1746TIP3   OH258688   3.197   0.072   4.304
+ 1746TIP3    H158689   3.236   0.033   4.224
+ 1746TIP3    H258690   3.223   0.166   4.295
+ 1746TIP3   OH258691   3.252  -0.315   3.700
+ 1746TIP3    H158692   3.158  -0.320   3.674
+ 1746TIP3    H258693   3.292  -0.262   3.628
+ 1746TIP3   OH258694   3.417   1.113   4.266
+ 1746TIP3    H158695   3.452   1.114   4.357
+ 1746TIP3    H258696   3.500   1.092   4.218
+ 1746TIP3   OH258697   3.635   1.014   4.128
+ 1746TIP3    H158698   3.629   0.919   4.141
+ 1746TIP3    H258699   3.728   1.034   4.153
+ 1746TIP3   OH258700   3.902   1.063   4.209
+ 1746TIP3    H158701   3.951   0.980   4.196
+ 1746TIP3    H258702   3.911   1.073   4.305
+ 1746TIP3   OH258703   4.268  -0.362   4.132
+ 1746TIP3    H158704   4.192  -0.417   4.161
+ 1746TIP3    H258705   4.294  -0.409   4.052
+ 1746TIP3   OH258706   3.503  -0.512   3.883
+ 1746TIP3    H158707   3.415  -0.527   3.843
+ 1746TIP3    H258708   3.546  -0.597   3.868
+ 1746TIP3   OH258709   3.348  -0.516   3.469
+ 1746TIP3    H158710   3.412  -0.456   3.428
+ 1746TIP3    H258711   3.325  -0.470   3.551
+ 1746TIP3   OH258712   3.930  -0.463   3.887
+ 1746TIP3    H158713   4.026  -0.470   3.876
+ 1746TIP3    H258714   3.913  -0.530   3.953
+ 1746TIP3   OH258715   3.383   1.074   3.592
+ 1746TIP3    H158716   3.316   1.062   3.523
+ 1746TIP3    H258717   3.376   1.170   3.605
+ 1747TIP3   OH258718   3.535  -0.333   3.317
+ 1747TIP3    H158719   3.591  -0.398   3.271
+ 1747TIP3    H258720   3.595  -0.305   3.389
+ 1747TIP3   OH258721   4.084  -0.319   3.576
+ 1747TIP3    H158722   4.058  -0.389   3.638
+ 1747TIP3    H258723   4.053  -0.239   3.621
+ 1747TIP3   OH258724   4.263   1.239   3.403
+ 1747TIP3    H158725   4.351   1.277   3.385
+ 1747TIP3    H258726   4.249   1.180   3.326
+ 1747TIP3   OH258727   3.525   1.172   3.272
+ 1747TIP3    H158728   3.496   1.196   3.361
+ 1747TIP3    H258729   3.600   1.113   3.289
+ 1747TIP3   OH258730  -3.173   2.287   3.928
+ 1747TIP3    H158731  -3.161   2.384   3.931
+ 1747TIP3    H258732  -3.236   2.278   3.856
+ 1747TIP3   OH258733  -3.272   2.227   4.247
+ 1747TIP3    H158734  -3.276   2.150   4.306
+ 1747TIP3    H258735  -3.279   2.188   4.159
+ 1747TIP3   OH258736  -2.918   2.504   4.039
+ 1747TIP3    H158737  -2.954   2.436   4.097
+ 1747TIP3    H258738  -2.880   2.563   4.108
+ 1747TIP3   OH258739  -3.953   2.652   4.247
+ 1747TIP3    H158740  -3.988   2.565   4.225
+ 1747TIP3    H258741  -3.857   2.631   4.249
+ 1747TIP3   OH258742  -4.223   2.027   3.647
+ 1747TIP3    H158743  -4.239   2.106   3.702
+ 1747TIP3    H258744  -4.306   1.980   3.661
+ 1747TIP3   OH258745  -4.194   2.207   3.932
+ 1747TIP3    H158746  -4.194   2.180   4.025
+ 1747TIP3    H258747  -4.120   2.270   3.932
+ 1748TIP3   OH258748  -3.208   3.044   4.112
+ 1748TIP3    H158749  -3.146   2.975   4.084
+ 1748TIP3    H258750  -3.236   3.014   4.200
+ 1748TIP3   OH258751  -3.467   2.454   4.280
+ 1748TIP3    H158752  -3.422   2.389   4.223
+ 1748TIP3    H258753  -3.386   2.493   4.321
+ 1748TIP3   OH258754  -3.121   1.928   4.323
+ 1748TIP3    H158755  -3.074   1.844   4.339
+ 1748TIP3    H258756  -3.110   1.940   4.227
+ 1748TIP3   OH258757  -3.808   1.717   4.042
+ 1748TIP3    H158758  -3.789   1.802   3.997
+ 1748TIP3    H258759  -3.841   1.665   3.966
+ 1748TIP3   OH258760  -3.018   1.737   3.872
+ 1748TIP3    H158761  -2.963   1.693   3.940
+ 1748TIP3    H258762  -2.949   1.779   3.817
+ 1748TIP3   OH258763  -4.122   1.980   4.109
+ 1748TIP3    H158764  -4.073   1.922   4.168
+ 1748TIP3    H258765  -4.107   1.937   4.023
+ 1748TIP3   OH258766  -3.602   2.126   4.055
+ 1748TIP3    H158767  -3.526   2.071   4.083
+ 1748TIP3    H258768  -3.647   2.066   3.992
+ 1748TIP3   OH258769  -3.174   2.573   3.794
+ 1748TIP3    H158770  -3.201   2.554   3.704
+ 1748TIP3    H258771  -3.215   2.659   3.811
+ 1748TIP3   OH258772  -2.838   1.658   4.073
+ 1748TIP3    H158773  -2.856   1.591   4.141
+ 1748TIP3    H258774  -2.784   1.719   4.126
+ 1748TIP3   OH258775  -3.877   1.810   4.297
+ 1748TIP3    H158776  -3.898   1.902   4.279
+ 1748TIP3    H258777  -3.886   1.766   4.210
+ 1749TIP3   OH258778  -4.183   2.534   3.630
+ 1749TIP3    H158779  -4.263   2.556   3.579
+ 1749TIP3    H258780  -4.187   2.599   3.703
+ 1749TIP3   OH258781  -2.841   2.635   4.259
+ 1749TIP3    H158782  -2.904   2.624   4.332
+ 1749TIP3    H258783  -2.772   2.689   4.300
+ 1749TIP3   OH258784  -3.510   1.355   4.178
+ 1749TIP3    H158785  -3.515   1.258   4.182
+ 1749TIP3    H258786  -3.593   1.380   4.222
+ 1749TIP3   OH258787  -3.019   2.884   3.965
+ 1749TIP3    H158788  -2.973   2.804   3.934
+ 1749TIP3    H258789  -2.952   2.953   3.945
+ 1749TIP3   OH258790  -2.878   2.673   3.822
+ 1749TIP3    H158791  -2.922   2.621   3.754
+ 1749TIP3    H258792  -2.880   2.609   3.897
+ 1749TIP3   OH258793  -3.297   2.241   3.641
+ 1749TIP3    H158794  -3.361   2.304   3.602
+ 1749TIP3    H258795  -3.222   2.247   3.580
+ 1749TIP3   OH258796  -3.267   2.062   3.343
+ 1749TIP3    H158797  -3.202   2.093   3.409
+ 1749TIP3    H258798  -3.211   2.005   3.289
+ 1749TIP3   OH258799  -2.951   2.243   3.748
+ 1749TIP3    H158800  -3.010   2.263   3.824
+ 1749TIP3    H258801  -2.882   2.190   3.793
+ 1749TIP3   OH258802  -3.777   2.325   3.922
+ 1749TIP3    H158803  -3.817   2.278   3.847
+ 1749TIP3    H258804  -3.722   2.256   3.963
+ 1749TIP3   OH258805  -3.684   2.631   4.159
+ 1749TIP3    H158806  -3.659   2.599   4.071
+ 1749TIP3    H258807  -3.599   2.635   4.205
+ 1750TIP3   OH258808  -3.768   2.195   4.270
+ 1750TIP3    H158809  -3.698   2.191   4.202
+ 1750TIP3    H258810  -3.724   2.241   4.343
+ 1750TIP3   OH258811  -3.053   2.196   3.492
+ 1750TIP3    H158812  -3.003   2.215   3.575
+ 1750TIP3    H258813  -2.999   2.245   3.426
+ 1750TIP3   OH258814  -3.303   2.848   3.851
+ 1750TIP3    H158815  -3.256   2.878   3.930
+ 1750TIP3    H258816  -3.353   2.926   3.825
+ 1750TIP3   OH258817  -2.707   1.358   3.443
+ 1750TIP3    H158818  -2.790   1.372   3.490
+ 1750TIP3    H258819  -2.669   1.447   3.442
+ 1750TIP3   OH258820  -3.889   2.191   3.674
+ 1750TIP3    H158821  -3.916   2.270   3.625
+ 1750TIP3    H258822  -3.963   2.131   3.656
+ 1750TIP3   OH258823  -2.566   2.776   3.293
+ 1750TIP3    H158824  -2.550   2.868   3.322
+ 1750TIP3    H258825  -2.481   2.734   3.315
+ 1750TIP3   OH258826  -4.292   2.750   4.216
+ 1750TIP3    H158827  -4.208   2.711   4.243
+ 1750TIP3    H258828  -4.305   2.811   4.289
+ 1750TIP3   OH258829  -3.347   3.118   3.698
+ 1750TIP3    H158830  -3.348   3.133   3.602
+ 1750TIP3    H258831  -3.347   3.209   3.734
+ 1750TIP3   OH258832  -3.977   3.029   3.861
+ 1750TIP3    H158833  -3.950   2.991   3.948
+ 1750TIP3    H258834  -4.058   2.979   3.846
+ 1750TIP3   OH258835  -3.021   3.059   3.415
+ 1750TIP3    H158836  -2.962   2.994   3.373
+ 1750TIP3    H258837  -3.025   3.025   3.507
+ 1751TIP3   OH258838  -3.079   3.004   3.697
+ 1751TIP3    H158839  -3.174   3.020   3.714
+ 1751TIP3    H258840  -3.062   2.932   3.760
+ 1751TIP3   OH258841  -3.753   1.444   4.291
+ 1751TIP3    H158842  -3.837   1.430   4.242
+ 1751TIP3    H258843  -3.752   1.541   4.305
+ 1751TIP3   OH258844  -2.896   2.303   3.291
+ 1751TIP3    H158845  -2.907   2.274   3.199
+ 1751TIP3    H258846  -2.799   2.313   3.297
+ 1751TIP3   OH258847  -3.339   1.680   3.337
+ 1751TIP3    H158848  -3.377   1.664   3.424
+ 1751TIP3    H258849  -3.369   1.602   3.288
+ 1751TIP3   OH258850  -3.767   1.949   3.884
+ 1751TIP3    H158851  -3.863   1.945   3.866
+ 1751TIP3    H258852  -3.732   1.930   3.795
+ 1751TIP3   OH258853  -3.209   2.006   3.763
+ 1751TIP3    H158854  -3.249   2.088   3.727
+ 1751TIP3    H258855  -3.137   1.991   3.700
+ 1751TIP3   OH258856  -3.129   1.947   4.043
+ 1751TIP3    H158857  -3.154   2.003   3.968
+ 1751TIP3    H258858  -3.105   1.866   3.994
+ 1751TIP3   OH258859  -3.699   1.715   3.229
+ 1751TIP3    H158860  -3.711   1.683   3.321
+ 1751TIP3    H258861  -3.791   1.719   3.200
+ 1751TIP3   OH258862  -4.320   1.718   3.938
+ 1751TIP3    H158863  -4.297   1.701   4.031
+ 1751TIP3    H258864  -4.277   1.645   3.894
+ 1751TIP3   OH258865  -4.207   1.755   3.523
+ 1751TIP3    H158866  -4.146   1.790   3.457
+ 1751TIP3    H258867  -4.288   1.804   3.505
+ 1752TIP3   OH258868  -3.499   1.713   3.984
+ 1752TIP3    H158869  -3.591   1.701   4.013
+ 1752TIP3    H258870  -3.450   1.686   4.063
+ 1752TIP3   OH258871  -4.040   1.836   3.846
+ 1752TIP3    H158872  -4.118   1.847   3.791
+ 1752TIP3    H258873  -4.003   1.752   3.813
+ 1752TIP3   OH258874  -3.672   1.862   3.616
+ 1752TIP3    H158875  -3.575   1.868   3.630
+ 1752TIP3    H258876  -3.691   1.932   3.552
+ 1752TIP3   OH258877  -3.055   1.576   4.281
+ 1752TIP3    H158878  -3.092   1.609   4.364
+ 1752TIP3    H258879  -3.129   1.582   4.219
+ 1752TIP3   OH258880  -3.829   1.993   3.391
+ 1752TIP3    H158881  -3.883   1.953   3.322
+ 1752TIP3    H258882  -3.744   2.009   3.345
+ 1752TIP3   OH258883  -3.402   1.949   4.190
+ 1752TIP3    H158884  -3.328   1.920   4.134
+ 1752TIP3    H258885  -3.396   1.887   4.264
+ 1752TIP3   OH258886  -3.873   1.601   3.789
+ 1752TIP3    H158887  -3.915   1.514   3.800
+ 1752TIP3    H258888  -3.787   1.577   3.750
+ 1752TIP3   OH258889  -3.478   2.448   3.582
+ 1752TIP3    H158890  -3.555   2.398   3.548
+ 1752TIP3    H258891  -3.496   2.452   3.679
+ 1752TIP3   OH258892  -3.063   1.729   3.356
+ 1752TIP3    H158893  -3.161   1.732   3.355
+ 1752TIP3    H258894  -3.039   1.801   3.418
+ 1752TIP3   OH258895  -2.999   1.916   3.557
+ 1752TIP3    H158896  -2.914   1.897   3.601
+ 1752TIP3    H258897  -2.981   2.002   3.517
+ 1753TIP3   OH258898  -3.972   2.338   4.150
+ 1753TIP3    H158899  -3.904   2.367   4.087
+ 1753TIP3    H258900  -3.918   2.283   4.210
+ 1753TIP3   OH258901  -3.239   2.584   3.471
+ 1753TIP3    H158902  -3.264   2.670   3.512
+ 1753TIP3    H258903  -3.313   2.528   3.502
+ 1753TIP3   OH258904  -2.718   2.772   3.544
+ 1753TIP3    H158905  -2.740   2.697   3.602
+ 1753TIP3    H258906  -2.657   2.732   3.482
+ 1753TIP3   OH258907  -3.003   2.323   4.248
+ 1753TIP3    H158908  -3.092   2.291   4.268
+ 1753TIP3    H258909  -2.964   2.247   4.201
+ 1753TIP3   OH258910  -3.725   2.713   3.871
+ 1753TIP3    H158911  -3.686   2.801   3.876
+ 1753TIP3    H258912  -3.820   2.734   3.869
+ 1753TIP3   OH258913  -4.151   2.211   3.360
+ 1753TIP3    H158914  -4.080   2.267   3.398
+ 1753TIP3    H258915  -4.228   2.268   3.376
+ 1753TIP3   OH258916  -3.544   2.485   3.858
+ 1753TIP3    H158917  -3.577   2.576   3.861
+ 1753TIP3    H258918  -3.621   2.435   3.892
+ 1753TIP3   OH258919  -3.681   3.007   3.809
+ 1753TIP3    H158920  -3.776   3.019   3.821
+ 1753TIP3    H258921  -3.647   3.094   3.839
+ 1753TIP3   OH258922  -2.971   2.617   3.337
+ 1753TIP3    H158923  -2.925   2.571   3.410
+ 1753TIP3    H258924  -3.063   2.600   3.365
+ 1753TIP3   OH258925  -2.495   3.041   3.389
+ 1753TIP3    H158926  -2.425   3.106   3.369
+ 1753TIP3    H258927  -2.572   3.102   3.391
+ 1754TIP3   OH258928  -2.870   2.479   3.575
+ 1754TIP3    H158929  -2.898   2.405   3.632
+ 1754TIP3    H258930  -2.773   2.473   3.582
+ 1754TIP3   OH258931  -3.545   2.718   3.191
+ 1754TIP3    H158932  -3.513   2.638   3.147
+ 1754TIP3    H258933  -3.586   2.681   3.271
+ 1754TIP3   OH258934  -3.660   2.672   3.463
+ 1754TIP3    H158935  -3.612   2.620   3.529
+ 1754TIP3    H258936  -3.648   2.763   3.497
+ 1754TIP3   OH258937  -3.986   2.413   3.499
+ 1754TIP3    H158938  -4.056   2.454   3.556
+ 1754TIP3    H258939  -3.937   2.494   3.477
+ 1754TIP3   OH258940  -3.148   1.610   3.630
+ 1754TIP3    H158941  -3.121   1.664   3.554
+ 1754TIP3    H258942  -3.101   1.655   3.703
+ 1754TIP3   OH258943  -3.367   2.832   3.526
+ 1754TIP3    H158944  -3.447   2.883   3.549
+ 1754TIP3    H258945  -3.329   2.885   3.456
+ 1754TIP3   OH258946  -3.410   1.809   3.726
+ 1754TIP3    H158947  -3.331   1.865   3.740
+ 1754TIP3    H258948  -3.435   1.788   3.818
+ 1754TIP3   OH258949  -3.350   1.508   3.817
+ 1754TIP3    H158950  -3.361   1.569   3.892
+ 1754TIP3    H258951  -3.272   1.547   3.773
+ 1754TIP3   OH258952  -3.647   2.942   3.527
+ 1754TIP3    H158953  -3.652   3.025   3.475
+ 1754TIP3    H258954  -3.659   2.975   3.618
+ 1754TIP3   OH258955  -3.771   1.612   3.477
+ 1754TIP3    H158956  -3.765   1.689   3.537
+ 1754TIP3    H258957  -3.692   1.561   3.506
+ 1755TIP3   OH258958  -2.898   2.085   4.147
+ 1755TIP3    H158959  -2.971   2.039   4.104
+ 1755TIP3    H258960  -2.839   2.010   4.173
+ 1755TIP3   OH258961  -3.930   2.700   3.381
+ 1755TIP3    H158962  -3.855   2.743   3.424
+ 1755TIP3    H258963  -3.884   2.644   3.318
+ 1755TIP3   OH258964  -4.102   1.917   3.277
+ 1755TIP3    H158965  -4.101   2.005   3.318
+ 1755TIP3    H258966  -4.194   1.899   3.262
+ 1755TIP3   OH258967  -2.764   3.066   4.315
+ 1755TIP3    H158968  -2.828   3.049   4.246
+ 1755TIP3    H258969  -2.682   3.026   4.284
+ 1755TIP3   OH258970  -4.023   1.402   4.168
+ 1755TIP3    H158971  -4.059   1.408   4.077
+ 1755TIP3    H258972  -4.073   1.327   4.205
+ 1755TIP3   OH258973  -4.139   2.770   3.795
+ 1755TIP3    H158974  -4.227   2.808   3.804
+ 1755TIP3    H258975  -4.103   2.818   3.719
+ 1755TIP3   OH258976  -3.323   2.892   3.240
+ 1755TIP3    H158977  -3.399   2.830   3.236
+ 1755TIP3    H258978  -3.252   2.834   3.208
+ 1755TIP3   OH258979  -2.860   2.880   3.251
+ 1755TIP3    H158980  -2.846   2.802   3.308
+ 1755TIP3    H258981  -2.777   2.883   3.201
+ 1755TIP3   OH258982  -3.781   2.461   3.227
+ 1755TIP3    H158983  -3.762   2.406   3.305
+ 1755TIP3    H258984  -3.695   2.461   3.182
+ 1755TIP3   OH258985  -3.257   2.597   3.187
+ 1755TIP3    H158986  -3.259   2.593   3.285
+ 1755TIP3    H258987  -3.262   2.501   3.167
+ 1756TIP3   OH258988  -3.674   2.273   3.459
+ 1756TIP3    H158989  -3.734   2.224   3.517
+ 1756TIP3    H258990  -3.643   2.203   3.398
+ 1756TIP3   OH258991  -3.576   2.070   3.283
+ 1756TIP3    H158992  -3.576   2.085   3.187
+ 1756TIP3    H258993  -3.480   2.068   3.303
+ 1756TIP3   OH258994  -2.616   2.327   3.219
+ 1756TIP3    H158995  -2.631   2.281   3.135
+ 1756TIP3    H258996  -2.633   2.420   3.194
+ 1756TIP3   OH258997  -3.599   3.196   3.396
+ 1756TIP3    H158998  -3.504   3.210   3.409
+ 1756TIP3    H258999  -3.612   3.243   3.313
+ 1756TIP3   OH259000  -4.197   2.689   3.305
+ 1756TIP3    H159001  -4.120   2.680   3.365
+ 1756TIP3    H259002  -4.220   2.598   3.284
+ 1756TIP3   OH259003  -4.275   2.964   4.017
+ 1756TIP3    H159004  -4.275   2.874   4.056
+ 1756TIP3    H259005  -4.244   3.011   4.096
+ 1756TIP3   OH259006  -2.488   3.102   4.272
+ 1756TIP3    H159007  -2.512   3.087   4.365
+ 1756TIP3    H259008  -2.392   3.095   4.277
+ 1756TIP3   OH259009  -2.586   2.468   3.615
+ 1756TIP3    H159010  -2.494   2.490   3.638
+ 1756TIP3    H259011  -2.600   2.395   3.678
+ 1756TIP3   OH259012  -2.543   2.278   3.825
+ 1756TIP3    H159013  -2.587   2.192   3.829
+ 1756TIP3    H259014  -2.464   2.262   3.881
+ 1756TIP3   OH259015  -2.564   2.492   4.331
+ 1756TIP3    H159016  -2.508   2.437   4.276
+ 1756TIP3    H259017  -2.561   2.577   4.287
+ 1757TIP3   OH259018  -2.563   2.193   3.469
+ 1757TIP3    H159019  -2.568   2.243   3.386
+ 1757TIP3    H259020  -2.516   2.249   3.531
+ 1757TIP3   OH259021  -2.714   1.961   3.290
+ 1757TIP3    H159022  -2.643   2.012   3.251
+ 1757TIP3    H259023  -2.693   1.870   3.266
+ 1757TIP3   OH259024  -2.774   2.070   3.886
+ 1757TIP3    H159025  -2.753   1.976   3.875
+ 1757TIP3    H259026  -2.785   2.080   3.982
+ 1757TIP3   OH259027  -4.217   2.352   4.317
+ 1757TIP3    H159028  -4.267   2.326   4.239
+ 1757TIP3    H259029  -4.141   2.293   4.313
+ 1757TIP3   OH259030  -2.735   1.686   3.206
+ 1757TIP3    H159031  -2.677   1.647   3.274
+ 1757TIP3    H259032  -2.820   1.642   3.220
+ 1757TIP3   OH259033  -2.769   1.823   3.710
+ 1757TIP3    H159034  -2.731   1.733   3.713
+ 1757TIP3    H259035  -2.688   1.874   3.689
+ 1757TIP3   OH259036  -2.740   1.884   4.220
+ 1757TIP3    H159037  -2.644   1.884   4.233
+ 1757TIP3    H259038  -2.773   1.879   4.312
+ 1757TIP3   OH259039  -2.709   1.538   3.706
+ 1757TIP3    H159040  -2.699   1.509   3.798
+ 1757TIP3    H259041  -2.791   1.493   3.680
+ 1757TIP3   OH259042  -4.168   1.691   4.194
+ 1757TIP3    H159043  -4.170   1.595   4.210
+ 1757TIP3    H259044  -4.111   1.719   4.266
+ 1757TIP3   OH259045  -4.343   1.945   4.318
+ 1757TIP3    H159046  -4.307   1.899   4.241
+ 1757TIP3    H259047  -4.300   2.031   4.311
+ 1758TIP3   OH259048  -2.527   1.585   3.366
+ 1758TIP3    H159049  -2.480   1.509   3.329
+ 1758TIP3    H259050  -2.453   1.642   3.397
+ 1758TIP3   OH259051  -4.316   1.542   3.648
+ 1758TIP3    H159052  -4.401   1.573   3.613
+ 1758TIP3    H259053  -4.256   1.613   3.614
+ 1758TIP3   OH259054  -2.827   3.088   3.907
+ 1758TIP3    H159055  -2.783   3.062   3.823
+ 1758TIP3    H259056  -2.755   3.136   3.950
+ 1758TIP3   OH259057  -4.155   2.997   4.265
+ 1758TIP3    H159058  -4.135   3.003   4.359
+ 1758TIP3    H259059  -4.064   3.000   4.231
+ 1758TIP3   OH259060  -3.904   2.904   4.106
+ 1758TIP3    H159061  -3.924   2.817   4.146
+ 1758TIP3    H259062  -3.821   2.928   4.150
+ 1758TIP3   OH259063  -3.633   2.956   4.211
+ 1758TIP3    H159064  -3.608   2.866   4.185
+ 1758TIP3    H259065  -3.627   2.950   4.307
+ 1758TIP3   OH259066  -3.300   1.553   4.126
+ 1758TIP3    H159067  -3.360   1.480   4.153
+ 1758TIP3    H259068  -3.231   1.504   4.077
+ 1758TIP3   OH259069  -2.801   1.355   4.157
+ 1758TIP3    H159070  -2.726   1.399   4.113
+ 1758TIP3    H259071  -2.877   1.389   4.109
+ 1758TIP3   OH259072  -2.599   1.452   3.961
+ 1758TIP3    H159073  -2.526   1.413   3.911
+ 1758TIP3    H259074  -2.564   1.542   3.978
+ 1758TIP3   OH259075  -4.108   1.403   3.885
+ 1758TIP3    H159076  -4.180   1.371   3.829
+ 1758TIP3    H259077  -4.044   1.329   3.877
+ 1759TIP3   OH259078  -4.183   1.364   3.467
+ 1759TIP3    H159079  -4.133   1.432   3.419
+ 1759TIP3    H259080  -4.234   1.419   3.530
+ 1759TIP3   OH259081  -3.614   1.395   3.892
+ 1759TIP3    H159082  -3.525   1.427   3.871
+ 1759TIP3    H259083  -3.607   1.382   3.987
+ 1759TIP3   OH259084  -3.068   1.407   4.004
+ 1759TIP3    H159085  -3.025   1.381   3.921
+ 1759TIP3    H259086  -3.091   1.321   4.042
+ 1759TIP3   OH259087  -2.946   1.402   3.617
+ 1759TIP3    H159088  -3.028   1.452   3.602
+ 1759TIP3    H259089  -2.980   1.312   3.631
+ 1759TIP3   OH259090  -4.194   2.966   3.576
+ 1759TIP3    H159091  -4.243   2.945   3.495
+ 1759TIP3    H259092  -4.181   3.062   3.568
+ 1759TIP3   OH259093  -4.003   1.558   3.319
+ 1759TIP3    H159094  -3.949   1.492   3.272
+ 1759TIP3    H259095  -3.943   1.582   3.392
+ 1759TIP3   OH259096  -3.501   1.566   3.584
+ 1759TIP3    H159097  -3.462   1.508   3.651
+ 1759TIP3    H259098  -3.477   1.653   3.621
+ 1759TIP3   OH259099  -3.295   3.145   3.403
+ 1759TIP3    H159100  -3.197   3.144   3.401
+ 1759TIP3    H259101  -3.314   3.077   3.336
+ 1759TIP3   OH259102  -2.645   3.046   3.664
+ 1759TIP3    H159103  -2.668   2.962   3.620
+ 1759TIP3    H259104  -2.649   3.108   3.589
+ 1759TIP3   OH259105  -4.011   3.064   3.271
+ 1759TIP3    H159106  -4.040   3.082   3.361
+ 1759TIP3    H259107  -3.940   2.999   3.285
+ 1760TIP3   OH259108  -1.282   2.288   3.923
+ 1760TIP3    H159109  -1.276   2.385   3.928
+ 1760TIP3    H259110  -1.351   2.276   3.856
+ 1760TIP3   OH259111  -1.380   2.227   4.246
+ 1760TIP3    H159112  -1.390   2.154   4.309
+ 1760TIP3    H259113  -1.397   2.184   4.161
+ 1760TIP3   OH259114  -1.027   2.502   4.042
+ 1760TIP3    H159115  -1.066   2.435   4.101
+ 1760TIP3    H259116  -0.992   2.562   4.111
+ 1760TIP3   OH259117  -2.074   2.651   4.245
+ 1760TIP3    H159118  -2.100   2.559   4.223
+ 1760TIP3    H259119  -1.979   2.636   4.259
+ 1760TIP3   OH259120  -2.295   2.235   3.979
+ 1760TIP3    H159121  -2.279   2.152   4.028
+ 1760TIP3    H259122  -2.220   2.238   3.920
+ 1760TIP3   OH259123  -1.339   3.033   4.110
+ 1760TIP3    H159124  -1.262   2.978   4.086
+ 1760TIP3    H259125  -1.355   3.009   4.203
+ 1760TIP3   OH259126  -1.580   2.454   4.279
+ 1760TIP3    H159127  -1.535   2.390   4.222
+ 1760TIP3    H259128  -1.501   2.493   4.321
+ 1760TIP3   OH259129  -1.231   1.931   4.323
+ 1760TIP3    H159130  -1.189   1.845   4.341
+ 1760TIP3    H259131  -1.225   1.937   4.225
+ 1760TIP3   OH259132  -1.925   1.720   4.043
+ 1760TIP3    H159133  -1.906   1.804   3.997
+ 1760TIP3    H259134  -1.955   1.667   3.966
+ 1760TIP3   OH259135  -1.128   1.740   3.872
+ 1760TIP3    H159136  -1.074   1.692   3.938
+ 1760TIP3    H259137  -1.059   1.779   3.816
+ 1761TIP3   OH259138  -2.220   1.981   4.099
+ 1761TIP3    H159139  -2.179   1.913   4.153
+ 1761TIP3    H259140  -2.221   1.938   4.011
+ 1761TIP3   OH259141  -1.716   2.125   4.054
+ 1761TIP3    H159142  -1.642   2.069   4.083
+ 1761TIP3    H259143  -1.762   2.067   3.991
+ 1761TIP3   OH259144  -1.283   2.575   3.793
+ 1761TIP3    H159145  -1.317   2.550   3.707
+ 1761TIP3    H259146  -1.329   2.659   3.811
+ 1761TIP3   OH259147  -0.946   1.651   4.072
+ 1761TIP3    H159148  -0.985   1.602   4.146
+ 1761TIP3    H259149  -0.885   1.708   4.121
+ 1761TIP3   OH259150  -1.997   1.810   4.299
+ 1761TIP3    H159151  -2.011   1.903   4.277
+ 1761TIP3    H259152  -1.999   1.766   4.212
+ 1761TIP3   OH259153  -2.304   2.545   3.625
+ 1761TIP3    H159154  -2.335   2.595   3.548
+ 1761TIP3    H259155  -2.294   2.613   3.694
+ 1761TIP3   OH259156  -0.945   2.634   4.260
+ 1761TIP3    H159157  -1.018   2.623   4.324
+ 1761TIP3    H259158  -0.928   2.728   4.275
+ 1761TIP3   OH259159  -1.624   1.356   4.178
+ 1761TIP3    H159160  -1.628   1.259   4.183
+ 1761TIP3    H259161  -1.707   1.380   4.222
+ 1761TIP3   OH259162  -1.132   2.883   3.965
+ 1761TIP3    H159163  -1.085   2.804   3.932
+ 1761TIP3    H259164  -1.067   2.954   3.947
+ 1761TIP3   OH259165  -0.988   2.669   3.823
+ 1761TIP3    H159166  -1.042   2.622   3.757
+ 1761TIP3    H259167  -0.995   2.606   3.898
+ 1762TIP3   OH259168  -1.409   2.244   3.643
+ 1762TIP3    H159169  -1.477   2.301   3.602
+ 1762TIP3    H259170  -1.338   2.246   3.576
+ 1762TIP3   OH259171  -1.381   2.062   3.348
+ 1762TIP3    H159172  -1.310   2.092   3.407
+ 1762TIP3    H259173  -1.332   2.003   3.289
+ 1762TIP3   OH259174  -1.061   2.242   3.750
+ 1762TIP3    H159175  -1.126   2.263   3.820
+ 1762TIP3    H259176  -0.998   2.186   3.800
+ 1762TIP3   OH259177  -1.894   2.325   3.923
+ 1762TIP3    H159178  -1.934   2.279   3.846
+ 1762TIP3    H259179  -1.840   2.254   3.963
+ 1762TIP3   OH259180  -1.798   2.643   4.152
+ 1762TIP3    H159181  -1.769   2.592   4.076
+ 1762TIP3    H259182  -1.721   2.641   4.210
+ 1762TIP3   OH259183  -1.880   2.202   4.271
+ 1762TIP3    H159184  -1.812   2.193   4.202
+ 1762TIP3    H259185  -1.830   2.235   4.346
+ 1762TIP3   OH259186  -1.163   2.188   3.494
+ 1762TIP3    H159187  -1.116   2.215   3.575
+ 1762TIP3    H259188  -1.114   2.240   3.426
+ 1762TIP3   OH259189  -1.411   2.851   3.851
+ 1762TIP3    H159190  -1.370   2.876   3.935
+ 1762TIP3    H259191  -1.474   2.922   3.835
+ 1762TIP3   OH259192  -0.823   1.364   3.446
+ 1762TIP3    H159193  -0.909   1.377   3.491
+ 1762TIP3    H259194  -0.784   1.452   3.454
+ 1762TIP3   OH259195  -2.007   2.193   3.682
+ 1762TIP3    H159196  -2.031   2.267   3.624
+ 1762TIP3    H259197  -2.072   2.126   3.657
+ 1763TIP3   OH259198  -0.681   2.775   3.299
+ 1763TIP3    H159199  -0.664   2.868   3.322
+ 1763TIP3    H259200  -0.595   2.734   3.317
+ 1763TIP3   OH259201  -2.388   2.738   4.237
+ 1763TIP3    H159202  -2.292   2.730   4.244
+ 1763TIP3    H259203  -2.406   2.818   4.288
+ 1763TIP3   OH259204  -1.480   3.184   3.711
+ 1763TIP3    H159205  -1.481   3.127   3.632
+ 1763TIP3    H259206  -1.406   3.241   3.693
+ 1763TIP3   OH259207  -2.080   3.032   3.864
+ 1763TIP3    H159208  -2.069   2.984   3.949
+ 1763TIP3    H259209  -2.162   2.993   3.832
+ 1763TIP3   OH259210  -1.137   3.061   3.412
+ 1763TIP3    H159211  -1.077   2.997   3.367
+ 1763TIP3    H259212  -1.139   3.025   3.503
+ 1763TIP3   OH259213  -1.194   3.005   3.697
+ 1763TIP3    H159214  -1.288   3.011   3.718
+ 1763TIP3    H259215  -1.171   2.932   3.756
+ 1763TIP3   OH259216  -1.867   1.445   4.291
+ 1763TIP3    H159217  -1.951   1.435   4.242
+ 1763TIP3    H259218  -1.863   1.541   4.307
+ 1763TIP3   OH259219  -1.009   2.295   3.291
+ 1763TIP3    H159220  -1.027   2.274   3.197
+ 1763TIP3    H259221  -0.915   2.318   3.287
+ 1763TIP3   OH259222  -1.442   1.671   3.346
+ 1763TIP3    H159223  -1.493   1.660   3.428
+ 1763TIP3    H259224  -1.485   1.604   3.289
+ 1763TIP3   OH259225  -1.882   1.950   3.883
+ 1763TIP3    H159226  -1.978   1.946   3.866
+ 1763TIP3    H259227  -1.848   1.927   3.795
+ 1764TIP3   OH259228  -1.321   2.007   3.764
+ 1764TIP3    H159229  -1.362   2.088   3.727
+ 1764TIP3    H259230  -1.252   1.990   3.697
+ 1764TIP3   OH259231  -1.241   1.947   4.042
+ 1764TIP3    H159232  -1.269   2.002   3.967
+ 1764TIP3    H259233  -1.219   1.865   3.994
+ 1764TIP3   OH259234  -1.800   1.715   3.234
+ 1764TIP3    H159235  -1.836   1.682   3.319
+ 1764TIP3    H259236  -1.880   1.731   3.184
+ 1764TIP3   OH259237  -2.455   1.681   3.967
+ 1764TIP3    H159238  -2.387   1.684   4.037
+ 1764TIP3    H259239  -2.404   1.683   3.885
+ 1764TIP3   OH259240  -2.317   1.740   3.477
+ 1764TIP3    H159241  -2.249   1.796   3.436
+ 1764TIP3    H259242  -2.356   1.805   3.540
+ 1764TIP3   OH259243  -1.612   1.715   3.984
+ 1764TIP3    H159244  -1.706   1.702   4.008
+ 1764TIP3    H259245  -1.567   1.685   4.065
+ 1764TIP3   OH259246  -2.162   1.845   3.848
+ 1764TIP3    H159247  -2.245   1.868   3.798
+ 1764TIP3    H259248  -2.134   1.765   3.801
+ 1764TIP3   OH259249  -1.785   1.862   3.620
+ 1764TIP3    H159250  -1.688   1.874   3.626
+ 1764TIP3    H259251  -1.812   1.924   3.549
+ 1764TIP3   OH259252  -1.169   1.580   4.273
+ 1764TIP3    H159253  -1.202   1.606   4.361
+ 1764TIP3    H259254  -1.249   1.580   4.219
+ 1764TIP3   OH259255  -1.938   1.988   3.399
+ 1764TIP3    H159256  -2.000   1.963   3.329
+ 1764TIP3    H259257  -1.858   2.007   3.347
+ 1765TIP3   OH259258  -1.515   1.951   4.191
+ 1765TIP3    H159259  -1.444   1.917   4.134
+ 1765TIP3    H259260  -1.513   1.887   4.264
+ 1765TIP3   OH259261  -1.977   1.612   3.790
+ 1765TIP3    H159262  -2.035   1.535   3.801
+ 1765TIP3    H259263  -1.901   1.575   3.744
+ 1765TIP3   OH259264  -1.594   2.450   3.583
+ 1765TIP3    H159265  -1.668   2.397   3.546
+ 1765TIP3    H259266  -1.613   2.449   3.679
+ 1765TIP3   OH259267  -1.175   1.736   3.355
+ 1765TIP3    H159268  -1.273   1.728   3.356
+ 1765TIP3    H259269  -1.157   1.804   3.423
+ 1765TIP3   OH259270  -1.108   1.912   3.563
+ 1765TIP3    H159271  -1.021   1.895   3.605
+ 1765TIP3    H259272  -1.095   2.001   3.524
+ 1765TIP3   OH259273  -2.090   2.362   4.179
+ 1765TIP3    H159274  -2.038   2.371   4.098
+ 1765TIP3    H259275  -2.044   2.289   4.222
+ 1765TIP3   OH259276  -1.354   2.585   3.472
+ 1765TIP3    H159277  -1.375   2.668   3.517
+ 1765TIP3    H259278  -1.428   2.528   3.501
+ 1765TIP3   OH259279  -0.651   1.912   3.542
+ 1765TIP3    H159280  -0.704   1.891   3.463
+ 1765TIP3    H259281  -0.637   2.007   3.527
+ 1765TIP3   OH259282  -0.832   2.773   3.546
+ 1765TIP3    H159283  -0.851   2.696   3.602
+ 1765TIP3    H259284  -0.774   2.736   3.478
+ 1765TIP3   OH259285  -1.114   2.320   4.251
+ 1765TIP3    H159286  -1.206   2.292   4.266
+ 1765TIP3    H259287  -1.079   2.244   4.200
+ 1766TIP3   OH259288  -1.839   2.715   3.860
+ 1766TIP3    H159289  -1.799   2.801   3.879
+ 1766TIP3    H259290  -1.933   2.735   3.866
+ 1766TIP3   OH259291  -2.244   2.200   3.349
+ 1766TIP3    H159292  -2.185   2.265   3.392
+ 1766TIP3    H259293  -2.329   2.223   3.388
+ 1766TIP3   OH259294  -1.658   2.486   3.862
+ 1766TIP3    H159295  -1.696   2.576   3.861
+ 1766TIP3    H259296  -1.734   2.434   3.892
+ 1766TIP3   OH259297  -1.793   3.023   3.808
+ 1766TIP3    H159298  -1.890   3.019   3.820
+ 1766TIP3    H259299  -1.769   3.095   3.867
+ 1766TIP3   OH259300  -1.083   2.616   3.336
+ 1766TIP3    H159301  -1.041   2.570   3.411
+ 1766TIP3    H259302  -1.176   2.601   3.360
+ 1766TIP3   OH259303  -0.610   3.042   3.390
+ 1766TIP3    H159304  -0.539   3.105   3.370
+ 1766TIP3    H259305  -0.686   3.102   3.390
+ 1766TIP3   OH259306  -0.987   2.476   3.574
+ 1766TIP3    H159307  -1.014   2.404   3.634
+ 1766TIP3    H259308  -0.890   2.474   3.583
+ 1766TIP3   OH259309  -1.658   2.721   3.195
+ 1766TIP3    H159310  -1.631   2.642   3.144
+ 1766TIP3    H259311  -1.703   2.680   3.271
+ 1766TIP3   OH259312  -1.772   2.673   3.463
+ 1766TIP3    H159313  -1.728   2.618   3.529
+ 1766TIP3    H259314  -1.762   2.763   3.500
+ 1766TIP3   OH259315  -2.091   2.416   3.503
+ 1766TIP3    H159316  -2.163   2.453   3.557
+ 1766TIP3    H259317  -2.045   2.498   3.477
+ 1767TIP3   OH259318  -1.259   1.607   3.633
+ 1767TIP3    H159319  -1.243   1.663   3.556
+ 1767TIP3    H259320  -1.215   1.657   3.704
+ 1767TIP3   OH259321  -1.477   2.858   3.537
+ 1767TIP3    H159322  -1.570   2.886   3.536
+ 1767TIP3    H259323  -1.447   2.882   3.448
+ 1767TIP3   OH259324  -1.518   1.807   3.727
+ 1767TIP3    H159325  -1.443   1.866   3.744
+ 1767TIP3    H259326  -1.550   1.788   3.817
+ 1767TIP3   OH259327  -1.464   1.507   3.818
+ 1767TIP3    H159328  -1.477   1.571   3.891
+ 1767TIP3    H259329  -1.388   1.547   3.771
+ 1767TIP3   OH259330  -1.756   2.943   3.530
+ 1767TIP3    H159331  -1.767   3.022   3.473
+ 1767TIP3    H259332  -1.774   2.979   3.619
+ 1767TIP3   OH259333  -1.887   1.610   3.476
+ 1767TIP3    H159334  -1.886   1.687   3.535
+ 1767TIP3    H259335  -1.806   1.563   3.504
+ 1767TIP3   OH259336  -1.010   2.088   4.136
+ 1767TIP3    H159337  -1.089   2.038   4.107
+ 1767TIP3    H259338  -0.954   2.016   4.172
+ 1767TIP3   OH259339  -2.047   2.698   3.380
+ 1767TIP3    H159340  -1.972   2.745   3.421
+ 1767TIP3    H259341  -1.999   2.646   3.313
+ 1767TIP3   OH259342  -2.224   1.926   3.274
+ 1767TIP3    H159343  -2.223   2.015   3.314
+ 1767TIP3    H259344  -2.318   1.908   3.268
+ 1767TIP3   OH259345  -0.875   3.054   4.330
+ 1767TIP3    H159346  -0.932   3.096   4.262
+ 1767TIP3    H259347  -0.789   3.053   4.286
+ 1768TIP3   OH259348  -2.144   1.415   4.172
+ 1768TIP3    H159349  -2.159   1.419   4.075
+ 1768TIP3    H259350  -2.179   1.328   4.195
+ 1768TIP3   OH259351  -2.251   2.768   3.799
+ 1768TIP3    H159352  -2.329   2.819   3.826
+ 1768TIP3    H259353  -2.216   2.821   3.726
+ 1768TIP3   OH259354  -1.438   2.888   3.250
+ 1768TIP3    H159355  -1.513   2.828   3.233
+ 1768TIP3    H259356  -1.366   2.836   3.209
+ 1768TIP3   OH259357  -0.974   2.881   3.253
+ 1768TIP3    H159358  -0.959   2.801   3.307
+ 1768TIP3    H259359  -0.894   2.884   3.198
+ 1768TIP3   OH259360  -1.894   2.466   3.227
+ 1768TIP3    H159361  -1.880   2.405   3.302
+ 1768TIP3    H259362  -1.808   2.459   3.181
+ 1768TIP3   OH259363  -1.371   2.597   3.188
+ 1768TIP3    H159364  -1.375   2.591   3.286
+ 1768TIP3    H259365  -1.376   2.501   3.166
+ 1768TIP3   OH259366  -1.783   2.271   3.464
+ 1768TIP3    H159367  -1.849   2.222   3.516
+ 1768TIP3    H259368  -1.756   2.203   3.399
+ 1768TIP3   OH259369  -1.690   2.073   3.287
+ 1768TIP3    H159370  -1.696   2.081   3.190
+ 1768TIP3    H259371  -1.594   2.070   3.301
+ 1768TIP3   OH259372  -0.740   2.318   3.212
+ 1768TIP3    H159373  -0.763   2.288   3.123
+ 1768TIP3    H259374  -0.742   2.415   3.198
+ 1768TIP3   OH259375  -1.712   3.201   3.399
+ 1768TIP3    H159376  -1.616   3.206   3.403
+ 1768TIP3    H259377  -1.731   3.241   3.314
+ 1769TIP3   OH259378  -2.324   2.639   3.346
+ 1769TIP3    H159379  -2.229   2.655   3.365
+ 1769TIP3    H259380  -2.320   2.557   3.292
+ 1769TIP3   OH259381  -2.418   3.153   3.820
+ 1769TIP3    H159382  -2.494   3.118   3.770
+ 1769TIP3    H259383  -2.413   3.088   3.894
+ 1769TIP3   OH259384  -2.383   2.956   4.019
+ 1769TIP3    H159385  -2.409   2.867   4.048
+ 1769TIP3    H259386  -2.357   2.992   4.106
+ 1769TIP3   OH259387  -0.617   3.083   4.271
+ 1769TIP3    H159388  -0.632   3.084   4.368
+ 1769TIP3    H259389  -0.524   3.108   4.269
+ 1769TIP3   OH259390  -0.701   2.463   3.614
+ 1769TIP3    H159391  -0.610   2.495   3.629
+ 1769TIP3    H259392  -0.708   2.398   3.687
+ 1769TIP3   OH259393  -0.652   2.259   3.814
+ 1769TIP3    H159394  -0.720   2.201   3.854
+ 1769TIP3    H259395  -0.585   2.266   3.885
+ 1769TIP3   OH259396  -0.637   2.500   4.341
+ 1769TIP3    H159397  -0.631   2.432   4.271
+ 1769TIP3    H259398  -0.693   2.568   4.300
+ 1769TIP3   OH259399  -0.632   2.201   3.470
+ 1769TIP3    H159400  -0.679   2.231   3.390
+ 1769TIP3    H259401  -0.641   2.277   3.528
+ 1769TIP3   OH259402  -0.814   1.956   3.289
+ 1769TIP3    H159403  -0.769   2.014   3.225
+ 1769TIP3    H259404  -0.820   1.873   3.241
+ 1769TIP3   OH259405  -0.867   2.070   3.890
+ 1769TIP3    H159406  -0.868   1.974   3.877
+ 1769TIP3    H259407  -0.900   2.080   3.981
+ 1770TIP3   OH259408  -2.377   2.256   4.263
+ 1770TIP3    H159409  -2.345   2.283   4.175
+ 1770TIP3    H259410  -2.294   2.259   4.314
+ 1770TIP3   OH259411  -0.836   1.677   3.182
+ 1770TIP3    H159412  -0.784   1.644   3.259
+ 1770TIP3    H259413  -0.923   1.639   3.196
+ 1770TIP3   OH259414  -0.874   1.816   3.711
+ 1770TIP3    H159415  -0.848   1.722   3.724
+ 1770TIP3    H259416  -0.793   1.851   3.669
+ 1770TIP3   OH259417  -0.853   1.891   4.221
+ 1770TIP3    H159418  -0.759   1.871   4.234
+ 1770TIP3    H259419  -0.892   1.856   4.303
+ 1770TIP3   OH259420  -0.823   1.538   3.732
+ 1770TIP3    H159421  -0.806   1.495   3.817
+ 1770TIP3    H259422  -0.903   1.489   3.702
+ 1770TIP3   OH259423  -2.298   1.668   4.204
+ 1770TIP3    H159424  -2.265   1.577   4.213
+ 1770TIP3    H259425  -2.240   1.716   4.264
+ 1770TIP3   OH259426  -2.462   1.959   4.304
+ 1770TIP3    H159427  -2.422   1.923   4.223
+ 1770TIP3    H259428  -2.434   2.053   4.296
+ 1770TIP3   OH259429  -0.633   1.602   3.366
+ 1770TIP3    H159430  -0.602   1.516   3.333
+ 1770TIP3    H259431  -0.550   1.643   3.394
+ 1770TIP3   OH259432  -2.401   1.554   3.680
+ 1770TIP3    H159433  -2.497   1.570   3.681
+ 1770TIP3    H259434  -2.368   1.629   3.628
+ 1770TIP3   OH259435  -0.943   3.094   3.908
+ 1770TIP3    H159436  -0.904   3.068   3.823
+ 1770TIP3    H259437  -0.866   3.131   3.953
+ 1771TIP3   OH259438  -2.240   2.992   4.262
+ 1771TIP3    H159439  -2.204   2.996   4.353
+ 1771TIP3    H259440  -2.156   2.974   4.214
+ 1771TIP3   OH259441  -2.016   2.904   4.113
+ 1771TIP3    H159442  -2.030   2.812   4.142
+ 1771TIP3    H259443  -1.927   2.922   4.150
+ 1771TIP3   OH259444  -1.750   2.957   4.210
+ 1771TIP3    H159445  -1.714   2.869   4.190
+ 1771TIP3    H259446  -1.736   2.961   4.305
+ 1771TIP3   OH259447  -1.415   1.553   4.127
+ 1771TIP3    H159448  -1.475   1.482   4.154
+ 1771TIP3    H259449  -1.348   1.504   4.076
+ 1771TIP3   OH259450  -0.886   1.346   4.090
+ 1771TIP3    H159451  -0.815   1.410   4.109
+ 1771TIP3    H259452  -0.967   1.398   4.105
+ 1771TIP3   OH259453  -2.175   1.416   3.888
+ 1771TIP3    H159454  -2.261   1.405   3.843
+ 1771TIP3    H259455  -2.134   1.330   3.872
+ 1771TIP3   OH259456  -2.296   1.366   3.476
+ 1771TIP3    H159457  -2.247   1.433   3.425
+ 1771TIP3    H259458  -2.336   1.421   3.546
+ 1771TIP3   OH259459  -1.725   1.392   3.891
+ 1771TIP3    H159460  -1.636   1.426   3.873
+ 1771TIP3    H259461  -1.723   1.382   3.987
+ 1771TIP3   OH259462  -1.181   1.409   4.006
+ 1771TIP3    H159463  -1.144   1.382   3.921
+ 1771TIP3    H259464  -1.204   1.323   4.046
+ 1771TIP3   OH259465  -1.055   1.405   3.617
+ 1771TIP3    H159466  -1.138   1.455   3.604
+ 1771TIP3    H259467  -1.090   1.316   3.634
+ 1772TIP3   OH259468  -2.274   2.961   3.592
+ 1772TIP3    H159469  -2.339   2.947   3.522
+ 1772TIP3    H259470  -2.280   3.057   3.603
+ 1772TIP3   OH259471  -2.119   1.542   3.316
+ 1772TIP3    H159472  -2.055   1.489   3.267
+ 1772TIP3    H259473  -2.065   1.577   3.389
+ 1772TIP3   OH259474  -1.614   1.564   3.582
+ 1772TIP3    H159475  -1.578   1.509   3.653
+ 1772TIP3    H259476  -1.596   1.652   3.619
+ 1772TIP3   OH259477  -1.410   3.148   3.404
+ 1772TIP3    H159478  -1.313   3.145   3.402
+ 1772TIP3    H259479  -1.431   3.076   3.343
+ 1772TIP3   OH259480  -0.762   3.046   3.665
+ 1772TIP3    H159481  -0.783   2.962   3.618
+ 1772TIP3    H259482  -0.761   3.109   3.590
+ 1772TIP3   OH259483  -2.132   3.058   3.272
+ 1772TIP3    H159484  -2.158   3.082   3.362
+ 1772TIP3    H259485  -2.058   2.997   3.288
+ 1772TIP3   OH259486   0.602   2.288   3.924
+ 1772TIP3    H159487   0.610   2.385   3.928
+ 1772TIP3    H259488   0.536   2.277   3.855
+ 1772TIP3   OH259489   0.502   2.227   4.247
+ 1772TIP3    H159490   0.494   2.151   4.306
+ 1772TIP3    H259491   0.490   2.187   4.160
+ 1772TIP3   OH259492   0.857   2.503   4.040
+ 1772TIP3    H159493   0.817   2.436   4.098
+ 1772TIP3    H259494   0.892   2.562   4.109
+ 1772TIP3   OH259495  -0.192   2.643   4.246
+ 1772TIP3    H159496  -0.207   2.552   4.214
+ 1772TIP3    H259497  -0.095   2.637   4.257
+ 1773TIP3   OH259498  -0.495   2.003   3.783
+ 1773TIP3    H159499  -0.540   2.088   3.783
+ 1773TIP3    H259500  -0.561   1.945   3.741
+ 1773TIP3   OH259501  -0.414   2.236   3.981
+ 1773TIP3    H159502  -0.394   2.150   4.023
+ 1773TIP3    H259503  -0.336   2.247   3.925
+ 1773TIP3   OH259504   0.561   3.043   4.112
+ 1773TIP3    H159505   0.625   2.976   4.083
+ 1773TIP3    H259506   0.536   3.013   4.201
+ 1773TIP3   OH259507   0.305   2.456   4.279
+ 1773TIP3    H159508   0.347   2.390   4.222
+ 1773TIP3    H259509   0.386   2.492   4.320
+ 1773TIP3   OH259510   0.654   1.930   4.323
+ 1773TIP3    H159511   0.695   1.844   4.339
+ 1773TIP3    H259512   0.659   1.938   4.226
+ 1773TIP3   OH259513  -0.023   1.714   4.036
+ 1773TIP3    H159514  -0.017   1.802   3.996
+ 1773TIP3    H259515  -0.061   1.663   3.963
+ 1773TIP3   OH259516   0.756   1.742   3.872
+ 1773TIP3    H159517   0.813   1.695   3.938
+ 1773TIP3    H259518   0.824   1.781   3.815
+ 1773TIP3   OH259519  -0.344   1.983   4.099
+ 1773TIP3    H159520  -0.298   1.919   4.153
+ 1773TIP3    H259521  -0.341   1.940   4.012
+ 1773TIP3   OH259522   0.167   2.125   4.057
+ 1773TIP3    H159523   0.243   2.070   4.083
+ 1773TIP3    H259524   0.124   2.068   3.991
+ 1773TIP3   OH259525   0.599   2.573   3.794
+ 1773TIP3    H159526   0.572   2.553   3.704
+ 1773TIP3    H259527   0.555   2.658   3.810
+ 1774TIP3   OH259528   0.937   1.659   4.072
+ 1774TIP3    H159529   0.903   1.595   4.137
+ 1774TIP3    H259530   0.988   1.718   4.130
+ 1774TIP3   OH259531  -0.113   1.796   4.299
+ 1774TIP3    H159532  -0.168   1.875   4.297
+ 1774TIP3    H259533  -0.144   1.744   4.223
+ 1774TIP3   OH259534  -0.428   2.546   3.628
+ 1774TIP3    H159535  -0.442   2.595   3.545
+ 1774TIP3    H259536  -0.408   2.616   3.693
+ 1774TIP3   OH259537   0.932   2.634   4.259
+ 1774TIP3    H159538   0.867   2.625   4.332
+ 1774TIP3    H259539   0.995   2.695   4.298
+ 1774TIP3   OH259540   0.261   1.358   4.184
+ 1774TIP3    H159541   0.255   1.262   4.183
+ 1774TIP3    H259542   0.174   1.383   4.221
+ 1774TIP3   OH259543   0.752   2.884   3.965
+ 1774TIP3    H159544   0.798   2.804   3.934
+ 1774TIP3    H259545   0.819   2.953   3.945
+ 1774TIP3   OH259546   0.896   2.670   3.823
+ 1774TIP3    H159547   0.846   2.622   3.755
+ 1774TIP3    H259548   0.890   2.606   3.897
+ 1774TIP3   OH259549   0.476   2.245   3.643
+ 1774TIP3    H159550   0.410   2.300   3.599
+ 1774TIP3    H259551   0.548   2.244   3.577
+ 1774TIP3   OH259552   0.503   2.060   3.348
+ 1774TIP3    H159553   0.575   2.092   3.405
+ 1774TIP3    H259554   0.553   2.003   3.287
+ 1774TIP3   OH259555   0.826   2.243   3.750
+ 1774TIP3    H159556   0.760   2.264   3.819
+ 1774TIP3    H259557   0.887   2.186   3.800
+ 1775TIP3   OH259558  -0.015   2.323   3.926
+ 1775TIP3    H159559  -0.049   2.277   3.846
+ 1775TIP3    H259560   0.045   2.256   3.963
+ 1775TIP3   OH259561   0.084   2.634   4.158
+ 1775TIP3    H159562   0.110   2.599   4.072
+ 1775TIP3    H259563   0.167   2.631   4.207
+ 1775TIP3   OH259564   0.007   2.213   4.272
+ 1775TIP3    H159565   0.070   2.189   4.201
+ 1775TIP3    H259566   0.066   2.227   4.346
+ 1775TIP3   OH259567   0.721   2.189   3.494
+ 1775TIP3    H159568   0.770   2.214   3.575
+ 1775TIP3    H259569   0.771   2.239   3.425
+ 1775TIP3   OH259570   0.467   2.847   3.853
+ 1775TIP3    H159571   0.515   2.880   3.930
+ 1775TIP3    H259572   0.418   2.926   3.823
+ 1775TIP3   OH259573   1.067   1.361   3.444
+ 1775TIP3    H159574   0.979   1.370   3.484
+ 1775TIP3    H259575   1.101   1.452   3.450
+ 1775TIP3   OH259576  -0.126   2.199   3.686
+ 1775TIP3    H159577  -0.142   2.268   3.620
+ 1775TIP3    H259578  -0.181   2.126   3.653
+ 1775TIP3   OH259579   1.204   2.774   3.298
+ 1775TIP3    H159580   1.220   2.868   3.322
+ 1775TIP3    H259581   1.291   2.734   3.317
+ 1775TIP3   OH259582  -0.480   2.734   4.285
+ 1775TIP3    H159583  -0.393   2.736   4.242
+ 1775TIP3    H259584  -0.504   2.828   4.278
+ 1775TIP3   OH259585   0.422   3.118   3.699
+ 1775TIP3    H159586   0.423   3.130   3.603
+ 1775TIP3    H259587   0.424   3.209   3.732
+ 1776TIP3   OH259588  -0.198   3.033   3.862
+ 1776TIP3    H159589  -0.181   2.987   3.946
+ 1776TIP3    H259590  -0.281   2.993   3.833
+ 1776TIP3   OH259591   0.752   3.060   3.417
+ 1776TIP3    H159592   0.810   2.995   3.373
+ 1776TIP3    H259593   0.747   3.023   3.508
+ 1776TIP3   OH259594   0.692   3.004   3.698
+ 1776TIP3    H159595   0.596   3.019   3.713
+ 1776TIP3    H259596   0.707   2.931   3.760
+ 1776TIP3   OH259597   0.013   1.446   4.283
+ 1776TIP3    H159598  -0.072   1.432   4.235
+ 1776TIP3    H259599   0.011   1.541   4.301
+ 1776TIP3   OH259600   0.878   2.297   3.296
+ 1776TIP3    H159601   0.856   2.277   3.203
+ 1776TIP3    H259602   0.973   2.318   3.289
+ 1776TIP3   OH259603   0.431   1.655   3.325
+ 1776TIP3    H159604   0.380   1.639   3.405
+ 1776TIP3    H259605   0.392   1.588   3.264
+ 1776TIP3   OH259606   0.006   1.956   3.882
+ 1776TIP3    H159607  -0.089   1.941   3.866
+ 1776TIP3    H259608   0.042   1.929   3.795
+ 1776TIP3   OH259609   0.567   2.008   3.764
+ 1776TIP3    H159610   0.524   2.088   3.726
+ 1776TIP3    H259611   0.634   1.988   3.697
+ 1776TIP3   OH259612   0.644   1.947   4.042
+ 1776TIP3    H159613   0.617   2.002   3.966
+ 1776TIP3    H259614   0.667   1.865   3.994
+ 1776TIP3   OH259615   0.064   1.745   3.258
+ 1776TIP3    H159616   0.056   1.666   3.314
+ 1776TIP3    H259617   0.040   1.711   3.171
+ 1777TIP3   OH259618  -0.535   1.717   3.948
+ 1777TIP3    H159619  -0.539   1.673   4.035
+ 1777TIP3    H259620  -0.527   1.640   3.890
+ 1777TIP3   OH259621  -0.415   1.748   3.511
+ 1777TIP3    H159622  -0.356   1.796   3.449
+ 1777TIP3    H259623  -0.480   1.817   3.532
+ 1777TIP3   OH259624   0.275   1.714   3.985
+ 1777TIP3    H159625   0.180   1.704   4.006
+ 1777TIP3    H259626   0.316   1.684   4.068
+ 1777TIP3   OH259627  -0.255   1.839   3.848
+ 1777TIP3    H159628  -0.346   1.851   3.817
+ 1777TIP3    H259629  -0.230   1.753   3.808
+ 1777TIP3   OH259630   0.101   1.870   3.625
+ 1777TIP3    H159631   0.198   1.870   3.626
+ 1777TIP3    H259632   0.078   1.921   3.546
+ 1777TIP3   OH259633   0.721   1.584   4.277
+ 1777TIP3    H159634   0.681   1.606   4.362
+ 1777TIP3    H259635   0.643   1.577   4.219
+ 1777TIP3   OH259636  -0.057   1.997   3.398
+ 1777TIP3    H159637  -0.110   1.954   3.330
+ 1777TIP3    H259638   0.028   2.006   3.351
+ 1777TIP3   OH259639   0.371   1.952   4.194
+ 1777TIP3    H159640   0.438   1.918   4.133
+ 1777TIP3    H259641   0.373   1.884   4.263
+ 1777TIP3   OH259642  -0.092   1.602   3.792
+ 1777TIP3    H159643  -0.148   1.523   3.802
+ 1777TIP3    H259644  -0.018   1.569   3.740
+ 1777TIP3   OH259645   0.289   2.452   3.581
+ 1777TIP3    H159646   0.216   2.397   3.546
+ 1777TIP3    H259647   0.275   2.447   3.678
+ 1778TIP3   OH259648   0.698   1.728   3.362
+ 1778TIP3    H159649   0.601   1.725   3.352
+ 1778TIP3    H259650   0.715   1.804   3.420
+ 1778TIP3   OH259651   0.775   1.914   3.566
+ 1778TIP3    H159652   0.864   1.895   3.602
+ 1778TIP3    H259653   0.789   1.998   3.520
+ 1778TIP3   OH259654  -0.205   2.364   4.177
+ 1778TIP3    H159655  -0.152   2.369   4.097
+ 1778TIP3    H259656  -0.157   2.292   4.223
+ 1778TIP3   OH259657   0.533   2.584   3.475
+ 1778TIP3    H159658   0.506   2.670   3.513
+ 1778TIP3    H259659   0.459   2.528   3.501
+ 1778TIP3   OH259660   1.236   1.911   3.540
+ 1778TIP3    H159661   1.181   1.891   3.461
+ 1778TIP3    H259662   1.248   2.007   3.525
+ 1778TIP3   OH259663   1.057   2.774   3.548
+ 1778TIP3    H159664   1.034   2.696   3.602
+ 1778TIP3    H259665   1.111   2.736   3.477
+ 1778TIP3   OH259666   0.769   2.322   4.249
+ 1778TIP3    H159667   0.678   2.291   4.267
+ 1778TIP3    H259668   0.807   2.247   4.201
+ 1778TIP3   OH259669   0.045   2.714   3.874
+ 1778TIP3    H159670   0.087   2.801   3.873
+ 1778TIP3    H259671  -0.048   2.737   3.860
+ 1778TIP3   OH259672  -0.357   2.199   3.352
+ 1778TIP3    H159673  -0.296   2.263   3.392
+ 1778TIP3    H259674  -0.443   2.228   3.386
+ 1778TIP3   OH259675   0.228   2.485   3.867
+ 1778TIP3    H159676   0.194   2.575   3.862
+ 1778TIP3    H259677   0.150   2.435   3.894
+ 1779TIP3   OH259678   0.089   3.006   3.814
+ 1779TIP3    H159679  -0.006   3.023   3.819
+ 1779TIP3    H259680   0.126   3.093   3.839
+ 1779TIP3   OH259681   0.802   2.617   3.337
+ 1779TIP3    H159682   0.845   2.570   3.411
+ 1779TIP3    H259683   0.709   2.601   3.361
+ 1779TIP3   OH259684   1.277   3.041   3.390
+ 1779TIP3    H159685   1.346   3.106   3.368
+ 1779TIP3    H259686   1.199   3.101   3.390
+ 1779TIP3   OH259687   0.899   2.479   3.576
+ 1779TIP3    H159688   0.872   2.405   3.633
+ 1779TIP3    H259689   0.996   2.474   3.583
+ 1779TIP3   OH259690   0.226   2.721   3.193
+ 1779TIP3    H159691   0.255   2.642   3.144
+ 1779TIP3    H259692   0.184   2.679   3.271
+ 1779TIP3   OH259693   0.108   2.672   3.466
+ 1779TIP3    H159694   0.163   2.618   3.526
+ 1779TIP3    H259695   0.126   2.763   3.499
+ 1779TIP3   OH259696  -0.207   2.416   3.502
+ 1779TIP3    H159697  -0.277   2.455   3.558
+ 1779TIP3    H259698  -0.157   2.495   3.477
+ 1779TIP3   OH259699   0.623   1.608   3.634
+ 1779TIP3    H159700   0.643   1.656   3.552
+ 1779TIP3    H259701   0.671   1.658   3.701
+ 1779TIP3   OH259702   0.406   2.835   3.528
+ 1779TIP3    H159703   0.324   2.884   3.545
+ 1779TIP3    H259704   0.442   2.881   3.452
+ 1779TIP3   OH259705   0.366   1.808   3.727
+ 1779TIP3    H159706   0.444   1.865   3.744
+ 1779TIP3    H259707   0.335   1.789   3.817
+ 1780TIP3   OH259708   0.423   1.507   3.821
+ 1780TIP3    H159709   0.408   1.576   3.888
+ 1780TIP3    H259710   0.497   1.547   3.770
+ 1780TIP3   OH259711   0.125   2.942   3.528
+ 1780TIP3    H159712   0.120   3.024   3.474
+ 1780TIP3    H259713   0.113   2.977   3.618
+ 1780TIP3   OH259714  -0.010   1.598   3.487
+ 1780TIP3    H159715   0.000   1.683   3.531
+ 1780TIP3    H259716   0.076   1.556   3.503
+ 1780TIP3   OH259717   0.874   2.087   4.139
+ 1780TIP3    H159718   0.796   2.039   4.107
+ 1780TIP3    H259719   0.931   2.014   4.171
+ 1780TIP3   OH259720  -0.163   2.697   3.381
+ 1780TIP3    H159721  -0.088   2.744   3.421
+ 1780TIP3    H259722  -0.114   2.646   3.314
+ 1780TIP3   OH259723  -0.353   1.923   3.302
+ 1780TIP3    H159724  -0.336   2.017   3.322
+ 1780TIP3    H259725  -0.439   1.925   3.261
+ 1780TIP3   OH259726   1.008   3.058   4.322
+ 1780TIP3    H159727   0.947   3.061   4.247
+ 1780TIP3    H259728   1.093   3.032   4.283
+ 1780TIP3   OH259729  -0.237   1.421   4.166
+ 1780TIP3    H159730  -0.278   1.449   4.083
+ 1780TIP3    H259731  -0.315   1.386   4.213
+ 1780TIP3   OH259732  -0.368   2.768   3.802
+ 1780TIP3    H159733  -0.446   2.823   3.819
+ 1780TIP3    H259734  -0.325   2.816   3.731
+ 1780TIP3   OH259735   0.448   2.891   3.244
+ 1780TIP3    H159736   0.373   2.828   3.234
+ 1780TIP3    H259737   0.520   2.836   3.207
+ 1781TIP3   OH259738   0.912   2.882   3.255
+ 1781TIP3    H159739   0.925   2.800   3.306
+ 1781TIP3    H259740   0.992   2.884   3.199
+ 1781TIP3   OH259741  -0.009   2.464   3.227
+ 1781TIP3    H159742   0.007   2.404   3.302
+ 1781TIP3    H259743   0.077   2.459   3.181
+ 1781TIP3   OH259744   0.513   2.598   3.190
+ 1781TIP3    H159745   0.511   2.592   3.287
+ 1781TIP3    H259746   0.511   2.502   3.168
+ 1781TIP3   OH259747   0.100   2.274   3.464
+ 1781TIP3    H159748   0.040   2.218   3.516
+ 1781TIP3    H259749   0.132   2.209   3.398
+ 1781TIP3   OH259750   0.197   2.081   3.291
+ 1781TIP3    H159751   0.190   2.069   3.195
+ 1781TIP3    H259752   0.293   2.069   3.305
+ 1781TIP3   OH259753   1.146   2.325   3.220
+ 1781TIP3    H159754   1.138   2.281   3.134
+ 1781TIP3    H259755   1.136   2.419   3.193
+ 1781TIP3   OH259756   0.171   3.196   3.396
+ 1781TIP3    H159757   0.267   3.208   3.409
+ 1781TIP3    H259758   0.159   3.242   3.312
+ 1781TIP3   OH259759  -0.437   2.636   3.351
+ 1781TIP3    H159760  -0.342   2.656   3.364
+ 1781TIP3    H259761  -0.434   2.558   3.292
+ 1781TIP3   OH259762  -0.536   3.155   3.822
+ 1781TIP3    H159763  -0.609   3.118   3.769
+ 1781TIP3    H259764  -0.527   3.088   3.893
+ 1781TIP3   OH259765  -0.498   2.958   4.018
+ 1781TIP3    H159766  -0.528   2.869   4.041
+ 1781TIP3    H259767  -0.469   2.990   4.105
+ 1782TIP3   OH259768   1.278   3.096   4.271
+ 1782TIP3    H159769   1.256   3.086   4.365
+ 1782TIP3    H259770   1.375   3.098   4.276
+ 1782TIP3   OH259771   1.185   2.463   3.614
+ 1782TIP3    H159772   1.276   2.494   3.630
+ 1782TIP3    H259773   1.176   2.398   3.686
+ 1782TIP3   OH259774   1.235   2.257   3.813
+ 1782TIP3    H159775   1.165   2.202   3.854
+ 1782TIP3    H259776   1.300   2.268   3.886
+ 1782TIP3   OH259777   1.207   2.491   4.332
+ 1782TIP3    H159778   1.265   2.439   4.275
+ 1782TIP3    H259779   1.206   2.577   4.288
+ 1782TIP3   OH259780   1.256   2.203   3.470
+ 1782TIP3    H159781   1.205   2.230   3.391
+ 1782TIP3    H259782   1.244   2.280   3.527
+ 1782TIP3   OH259783   1.084   1.960   3.295
+ 1782TIP3    H159784   1.111   2.016   3.221
+ 1782TIP3    H259785   1.059   1.877   3.250
+ 1782TIP3   OH259786   1.023   2.072   3.893
+ 1782TIP3    H159787   1.018   1.977   3.876
+ 1782TIP3    H259788   0.986   2.080   3.983
+ 1782TIP3   OH259789  -0.493   2.278   4.255
+ 1782TIP3    H159790  -0.452   2.282   4.166
+ 1782TIP3    H259791  -0.417   2.255   4.312
+ 1782TIP3   OH259792   1.028   1.695   3.218
+ 1782TIP3    H159793   1.086   1.641   3.275
+ 1782TIP3    H259794   0.949   1.639   3.206
+ 1782TIP3   OH259795   1.012   1.822   3.712
+ 1782TIP3    H159796   1.035   1.726   3.716
+ 1782TIP3    H259797   1.092   1.857   3.669
+ 1783TIP3   OH259798   1.035   1.890   4.219
+ 1783TIP3    H159799   1.130   1.887   4.235
+ 1783TIP3    H259800   0.997   1.868   4.306
+ 1783TIP3   OH259801   1.058   1.543   3.707
+ 1783TIP3    H159802   1.069   1.508   3.797
+ 1783TIP3    H259803   0.979   1.493   3.677
+ 1783TIP3   OH259804  -0.574   1.955   4.304
+ 1783TIP3    H159805  -0.536   1.912   4.225
+ 1783TIP3    H259806  -0.543   2.046   4.292
+ 1783TIP3   OH259807   1.256   1.590   3.375
+ 1783TIP3    H159808   1.286   1.509   3.329
+ 1783TIP3    H259809   1.338   1.641   3.381
+ 1783TIP3   OH259810  -0.515   1.538   3.662
+ 1783TIP3    H159811  -0.607   1.562   3.683
+ 1783TIP3    H259812  -0.477   1.620   3.626
+ 1783TIP3   OH259813   0.945   3.088   3.907
+ 1783TIP3    H159814   0.987   3.062   3.823
+ 1783TIP3    H259815   1.018   3.135   3.949
+ 1783TIP3   OH259816  -0.356   2.986   4.259
+ 1783TIP3    H159817  -0.321   2.999   4.350
+ 1783TIP3    H259818  -0.271   2.971   4.213
+ 1783TIP3   OH259819  -0.133   2.905   4.116
+ 1783TIP3    H159820  -0.139   2.811   4.139
+ 1783TIP3    H259821  -0.041   2.926   4.145
+ 1783TIP3   OH259822   0.130   2.951   4.213
+ 1783TIP3    H159823   0.168   2.867   4.184
+ 1783TIP3    H259824   0.149   2.948   4.308
+ 1783TIP3   OH259825   0.473   1.552   4.132
+ 1783TIP3    H159826   0.410   1.481   4.156
+ 1783TIP3    H259827   0.536   1.504   4.075
+ 1784TIP3   OH259828   0.979   1.359   4.165
+ 1784TIP3    H159829   1.043   1.395   4.102
+ 1784TIP3    H259830   0.894   1.374   4.121
+ 1784TIP3   OH259831   1.178   1.460   3.968
+ 1784TIP3    H159832   1.247   1.414   3.918
+ 1784TIP3    H259833   1.212   1.552   3.970
+ 1784TIP3   OH259834  -0.297   1.417   3.874
+ 1784TIP3    H159835  -0.391   1.401   3.850
+ 1784TIP3    H259836  -0.261   1.327   3.877
+ 1784TIP3   OH259837  -0.419   1.370   3.463
+ 1784TIP3    H159838  -0.355   1.433   3.425
+ 1784TIP3    H259839  -0.449   1.421   3.542
+ 1784TIP3   OH259840   0.163   1.386   3.889
+ 1784TIP3    H159841   0.250   1.426   3.873
+ 1784TIP3    H259842   0.160   1.385   3.986
+ 1784TIP3   OH259843   0.712   1.405   4.009
+ 1784TIP3    H159844   0.744   1.383   3.921
+ 1784TIP3    H259845   0.680   1.319   4.041
+ 1784TIP3   OH259846   0.826   1.403   3.618
+ 1784TIP3    H159847   0.743   1.452   3.601
+ 1784TIP3    H259848   0.793   1.312   3.628
+ 1784TIP3   OH259849  -0.393   2.960   3.595
+ 1784TIP3    H159850  -0.454   2.949   3.521
+ 1784TIP3    H259851  -0.392   3.056   3.603
+ 1784TIP3   OH259852  -0.235   1.551   3.313
+ 1784TIP3    H159853  -0.174   1.493   3.263
+ 1784TIP3    H259854  -0.175   1.583   3.384
+ 1784TIP3   OH259855   0.270   1.563   3.584
+ 1784TIP3    H159856   0.309   1.509   3.655
+ 1784TIP3    H259857   0.293   1.651   3.615
+ 1785TIP3   OH259858   0.476   3.144   3.404
+ 1785TIP3    H159859   0.573   3.145   3.401
+ 1785TIP3    H259860   0.457   3.077   3.337
+ 1785TIP3   OH259861   1.125   3.046   3.664
+ 1785TIP3    H159862   1.103   2.961   3.621
+ 1785TIP3    H259863   1.123   3.107   3.589
+ 1785TIP3   OH259864  -0.249   3.055   3.273
+ 1785TIP3    H159865  -0.269   3.083   3.363
+ 1785TIP3    H259866  -0.170   2.998   3.286
+ 1785TIP3   OH259867   2.479   2.291   3.935
+ 1785TIP3    H159868   2.494   2.386   3.926
+ 1785TIP3    H259869   2.424   2.272   3.858
+ 1785TIP3   OH259870   2.368   2.199   4.253
+ 1785TIP3    H159871   2.432   2.132   4.283
+ 1785TIP3    H259872   2.388   2.202   4.158
+ 1785TIP3   OH259873   2.743   2.505   4.038
+ 1785TIP3    H159874   2.703   2.436   4.095
+ 1785TIP3    H259875   2.777   2.563   4.109
+ 1785TIP3   OH259876   1.702   2.648   4.253
+ 1785TIP3    H159877   1.673   2.558   4.226
+ 1785TIP3    H259878   1.798   2.634   4.247
+ 1785TIP3   OH259879   1.392   2.002   3.783
+ 1785TIP3    H159880   1.347   2.088   3.783
+ 1785TIP3    H259881   1.326   1.947   3.738
+ 1785TIP3   OH259882   1.473   2.238   3.980
+ 1785TIP3    H159883   1.490   2.154   4.026
+ 1785TIP3    H259884   1.548   2.244   3.921
+ 1785TIP3   OH259885   2.448   3.044   4.112
+ 1785TIP3    H159886   2.511   2.976   4.084
+ 1785TIP3    H259887   2.421   3.014   4.201
+ 1786TIP3   OH259888   2.190   2.450   4.286
+ 1786TIP3    H159889   2.231   2.398   4.216
+ 1786TIP3    H259890   2.272   2.492   4.323
+ 1786TIP3   OH259891   2.533   1.942   4.326
+ 1786TIP3    H159892   2.569   1.855   4.351
+ 1786TIP3    H259893   2.540   1.938   4.229
+ 1786TIP3   OH259894   1.845   1.720   4.044
+ 1786TIP3    H159895   1.875   1.799   3.996
+ 1786TIP3    H259896   1.821   1.663   3.969
+ 1786TIP3   OH259897   2.659   1.781   3.872
+ 1786TIP3    H159898   2.688   1.706   3.928
+ 1786TIP3    H259899   2.731   1.786   3.808
+ 1786TIP3   OH259900   1.554   1.985   4.100
+ 1786TIP3    H159901   1.591   1.912   4.152
+ 1786TIP3    H259902   1.550   1.943   4.012
+ 1786TIP3   OH259903   2.052   2.121   4.052
+ 1786TIP3    H159904   2.130   2.065   4.066
+ 1786TIP3    H259905   2.005   2.068   3.985
+ 1786TIP3   OH259906   2.488   2.576   3.793
+ 1786TIP3    H159907   2.455   2.550   3.706
+ 1786TIP3    H259908   2.441   2.659   3.810
+ 1786TIP3   OH259909   2.834   1.657   4.068
+ 1786TIP3    H159910   2.795   1.589   4.124
+ 1786TIP3    H259911   2.871   1.716   4.136
+ 1786TIP3   OH259912   1.770   1.803   4.294
+ 1786TIP3    H159913   1.751   1.896   4.276
+ 1786TIP3    H259914   1.774   1.763   4.205
+ 1786TIP3   OH259915   1.461   2.545   3.627
+ 1786TIP3    H159916   1.442   2.594   3.545
+ 1786TIP3    H259917   1.477   2.616   3.692
+ 1787TIP3   OH259918   2.815   2.637   4.258
+ 1787TIP3    H159919   2.752   2.626   4.333
+ 1787TIP3    H259920   2.883   2.692   4.298
+ 1787TIP3   OH259921   2.159   1.370   4.199
+ 1787TIP3    H159922   2.169   1.276   4.180
+ 1787TIP3    H259923   2.066   1.380   4.223
+ 1787TIP3   OH259924   2.637   2.884   3.967
+ 1787TIP3    H159925   2.683   2.804   3.935
+ 1787TIP3    H259926   2.703   2.953   3.945
+ 1787TIP3   OH259927   2.783   2.670   3.818
+ 1787TIP3    H159928   2.727   2.620   3.756
+ 1787TIP3    H259929   2.779   2.609   3.895
+ 1787TIP3   OH259930   2.362   2.250   3.643
+ 1787TIP3    H159931   2.294   2.300   3.595
+ 1787TIP3    H259932   2.433   2.244   3.577
+ 1787TIP3   OH259933   2.389   2.063   3.349
+ 1787TIP3    H159934   2.461   2.092   3.407
+ 1787TIP3    H259935   2.436   2.001   3.291
+ 1787TIP3   OH259936   2.712   2.244   3.750
+ 1787TIP3    H159937   2.646   2.262   3.819
+ 1787TIP3    H259938   2.772   2.183   3.797
+ 1787TIP3   OH259939   1.869   2.320   3.929
+ 1787TIP3    H159940   1.833   2.280   3.847
+ 1787TIP3    H259941   1.933   2.253   3.957
+ 1787TIP3   OH259942   1.969   2.626   4.163
+ 1787TIP3    H159943   1.992   2.601   4.072
+ 1787TIP3    H259944   2.056   2.639   4.204
+ 1787TIP3   OH259945   1.975   2.185   4.314
+ 1787TIP3    H159946   1.968   2.188   4.217
+ 1787TIP3    H259947   1.922   2.264   4.339
+ 1788TIP3   OH259948   2.606   2.190   3.494
+ 1788TIP3    H159949   2.655   2.214   3.575
+ 1788TIP3    H259950   2.656   2.242   3.426
+ 1788TIP3   OH259951   2.356   2.848   3.852
+ 1788TIP3    H159952   2.402   2.882   3.930
+ 1788TIP3    H259953   2.306   2.925   3.822
+ 1788TIP3   OH259954   2.951   1.359   3.447
+ 1788TIP3    H159955   2.860   1.369   3.481
+ 1788TIP3    H259956   2.984   1.450   3.453
+ 1788TIP3   OH259957   1.759   2.199   3.686
+ 1788TIP3    H159958   1.742   2.270   3.621
+ 1788TIP3    H259959   1.704   2.128   3.652
+ 1788TIP3   OH259960   3.099   2.784   3.292
+ 1788TIP3    H159961   3.111   2.872   3.332
+ 1788TIP3    H259962   3.182   2.738   3.315
+ 1788TIP3   OH259963   1.384   2.736   4.241
+ 1788TIP3    H159964   1.481   2.734   4.244
+ 1788TIP3    H259965   1.364   2.819   4.285
+ 1788TIP3   OH259966   2.311   3.120   3.701
+ 1788TIP3    H159967   2.302   3.130   3.606
+ 1788TIP3    H259968   2.310   3.211   3.733
+ 1788TIP3   OH259969   1.689   3.033   3.862
+ 1788TIP3    H159970   1.702   2.986   3.947
+ 1788TIP3    H259971   1.605   2.993   3.832
+ 1788TIP3   OH259972   2.638   3.053   3.409
+ 1788TIP3    H159973   2.669   2.970   3.368
+ 1788TIP3    H259974   2.629   3.026   3.503
+ 1788TIP3   OH259975   2.579   3.010   3.693
+ 1788TIP3    H159976   2.484   3.026   3.710
+ 1788TIP3    H259977   2.594   2.937   3.754
+ 1789TIP3   OH259978   1.904   1.451   4.294
+ 1789TIP3    H159979   1.826   1.425   4.243
+ 1789TIP3    H259980   1.892   1.546   4.304
+ 1789TIP3   OH259981   2.764   2.302   3.296
+ 1789TIP3    H159982   2.740   2.279   3.204
+ 1789TIP3    H259983   2.860   2.316   3.286
+ 1789TIP3   OH259984   2.326   1.673   3.345
+ 1789TIP3    H159985   2.283   1.657   3.431
+ 1789TIP3    H259986   2.286   1.603   3.291
+ 1789TIP3   OH259987   1.892   1.957   3.883
+ 1789TIP3    H159988   1.797   1.940   3.866
+ 1789TIP3    H259989   1.930   1.929   3.796
+ 1789TIP3   OH259990   2.456   2.017   3.771
+ 1789TIP3    H159991   2.408   2.087   3.723
+ 1789TIP3    H259992   2.519   1.986   3.704
+ 1789TIP3   OH259993   2.525   1.954   4.044
+ 1789TIP3    H159994   2.501   2.001   3.961
+ 1789TIP3    H259995   2.554   1.870   4.001
+ 1789TIP3   OH259996   1.971   1.720   3.236
+ 1789TIP3    H159997   1.936   1.682   3.319
+ 1789TIP3    H259998   1.891   1.730   3.182
+ 1789TIP3   OH259999   1.318   1.709   3.945
+ 1789TIP3    H160000   1.377   1.698   4.021
+ 1789TIP3    H260001   1.365   1.666   3.872
+ 1789TIP3   OH260002   1.475   1.749   3.515
+ 1789TIP3    H160003   1.528   1.796   3.448
+ 1789TIP3    H260004   1.403   1.813   3.530
+ 1789TIP3   OH260005   2.161   1.729   4.008
+ 1789TIP3    H160006   2.076   1.684   4.008
+ 1789TIP3    H260007   2.219   1.660   4.045
+ 1790TIP3   OH260008   1.623   1.834   3.854
+ 1790TIP3    H160009   1.541   1.857   3.807
+ 1790TIP3    H260010   1.653   1.754   3.807
+ 1790TIP3   OH260011   1.985   1.870   3.626
+ 1790TIP3    H160012   2.082   1.867   3.632
+ 1790TIP3    H260013   1.968   1.924   3.547
+ 1790TIP3   OH260014   2.581   1.606   4.256
+ 1790TIP3    H160015   2.528   1.597   4.336
+ 1790TIP3    H260016   2.526   1.563   4.188
+ 1790TIP3   OH260017   1.831   1.993   3.399
+ 1790TIP3    H160018   1.772   1.961   3.329
+ 1790TIP3    H260019   1.913   2.009   3.348
+ 1790TIP3   OH260020   2.260   1.933   4.207
+ 1790TIP3    H160021   2.310   1.913   4.126
+ 1790TIP3    H260022   2.275   1.850   4.256
+ 1790TIP3   OH260023   1.801   1.605   3.788
+ 1790TIP3    H160024   1.746   1.526   3.799
+ 1790TIP3    H260025   1.881   1.569   3.748
+ 1790TIP3   OH260026   2.172   2.455   3.581
+ 1790TIP3    H160027   2.101   2.398   3.544
+ 1790TIP3    H260028   2.161   2.444   3.677
+ 1790TIP3   OH260029   2.596   1.734   3.355
+ 1790TIP3    H160030   2.499   1.721   3.361
+ 1790TIP3    H260031   2.614   1.798   3.426
+ 1790TIP3   OH260032   2.663   1.913   3.561
+ 1790TIP3    H160033   2.749   1.897   3.605
+ 1790TIP3    H260034   2.677   2.000   3.519
+ 1790TIP3   OH260035   1.680   2.364   4.172
+ 1790TIP3    H160036   1.735   2.369   4.092
+ 1790TIP3    H260037   1.704   2.279   4.209
+ 1791TIP3   OH260038   2.420   2.585   3.476
+ 1791TIP3    H160039   2.391   2.670   3.516
+ 1791TIP3    H260040   2.346   2.526   3.501
+ 1791TIP3   OH260041   3.124   1.910   3.536
+ 1791TIP3    H160042   3.066   1.893   3.459
+ 1791TIP3    H260043   3.136   2.006   3.525
+ 1791TIP3   OH260044   2.956   2.784   3.553
+ 1791TIP3    H160045   2.919   2.714   3.611
+ 1791TIP3    H260046   2.997   2.732   3.483
+ 1791TIP3   OH260047   2.648   2.325   4.238
+ 1791TIP3    H160048   2.581   2.287   4.295
+ 1791TIP3    H260049   2.691   2.246   4.199
+ 1791TIP3   OH260050   1.931   2.714   3.877
+ 1791TIP3    H160051   1.971   2.803   3.872
+ 1791TIP3    H260052   1.838   2.733   3.862
+ 1791TIP3   OH260053   1.530   2.195   3.352
+ 1791TIP3    H160054   1.588   2.262   3.391
+ 1791TIP3    H260055   1.442   2.223   3.383
+ 1791TIP3   OH260056   2.114   2.486   3.874
+ 1791TIP3    H160057   2.079   2.576   3.862
+ 1791TIP3    H260058   2.034   2.436   3.894
+ 1791TIP3   OH260059   1.975   3.006   3.813
+ 1791TIP3    H160060   1.879   3.021   3.820
+ 1791TIP3    H260061   2.010   3.094   3.839
+ 1791TIP3   OH260062   2.694   2.627   3.341
+ 1791TIP3    H160063   2.729   2.569   3.412
+ 1791TIP3    H260064   2.600   2.607   3.352
+ 1791TIP3   OH260065   3.123   3.075   3.394
+ 1791TIP3    H160066   3.211   3.094   3.357
+ 1791TIP3    H260067   3.113   3.158   3.442
+ 1792TIP3   OH260068   2.787   2.481   3.573
+ 1792TIP3    H160069   2.755   2.408   3.629
+ 1792TIP3    H260070   2.883   2.475   3.586
+ 1792TIP3   OH260071   2.116   2.722   3.198
+ 1792TIP3    H160072   2.134   2.646   3.139
+ 1792TIP3    H260073   2.068   2.677   3.270
+ 1792TIP3   OH260074   1.994   2.673   3.467
+ 1792TIP3    H160075   2.047   2.617   3.526
+ 1792TIP3    H260076   2.011   2.763   3.500
+ 1792TIP3   OH260077   1.682   2.416   3.506
+ 1792TIP3    H160078   1.608   2.454   3.557
+ 1792TIP3    H260079   1.728   2.496   3.475
+ 1792TIP3   OH260080   2.499   1.593   3.617
+ 1792TIP3    H160081   2.535   1.671   3.575
+ 1792TIP3    H260082   2.503   1.613   3.713
+ 1792TIP3   OH260083   2.296   2.842   3.529
+ 1792TIP3    H160084   2.209   2.882   3.544
+ 1792TIP3    H260085   2.321   2.876   3.442
+ 1792TIP3   OH260086   2.245   1.812   3.732
+ 1792TIP3    H160087   2.332   1.853   3.747
+ 1792TIP3    H260088   2.228   1.775   3.821
+ 1792TIP3   OH260089   2.016   2.942   3.529
+ 1792TIP3    H160090   2.004   3.022   3.473
+ 1792TIP3    H260091   1.998   2.977   3.618
+ 1792TIP3   OH260092   1.886   1.609   3.475
+ 1792TIP3    H160093   1.888   1.684   3.537
+ 1792TIP3    H260094   1.966   1.560   3.503
+ 1792TIP3   OH260095   2.757   2.087   4.142
+ 1792TIP3    H160096   2.683   2.036   4.104
+ 1792TIP3    H260097   2.816   2.013   4.172
+ 1793TIP3   OH260098   1.724   2.697   3.379
+ 1793TIP3    H160099   1.799   2.743   3.420
+ 1793TIP3    H260100   1.771   2.646   3.312
+ 1793TIP3   OH260101   1.537   1.914   3.296
+ 1793TIP3    H160102   1.549   2.009   3.316
+ 1793TIP3    H260103   1.452   1.914   3.249
+ 1793TIP3   OH260104   2.890   3.068   4.315
+ 1793TIP3    H160105   2.828   3.047   4.245
+ 1793TIP3    H260106   2.975   3.032   4.286
+ 1793TIP3   OH260107   1.621   1.417   4.173
+ 1793TIP3    H160108   1.611   1.417   4.076
+ 1793TIP3    H260109   1.596   1.326   4.196
+ 1793TIP3   OH260110   1.520   2.767   3.800
+ 1793TIP3    H160111   1.442   2.819   3.824
+ 1793TIP3    H260112   1.557   2.820   3.727
+ 1793TIP3   OH260113   2.336   2.888   3.247
+ 1793TIP3    H160114   2.257   2.831   3.235
+ 1793TIP3    H260115   2.403   2.829   3.207
+ 1793TIP3   OH260116   2.819   2.881   3.267
+ 1793TIP3    H160117   2.805   2.791   3.305
+ 1793TIP3    H260118   2.872   2.861   3.188
+ 1793TIP3   OH260119   1.877   2.468   3.228
+ 1793TIP3    H160120   1.893   2.403   3.299
+ 1793TIP3    H260121   1.960   2.459   3.177
+ 1793TIP3   OH260122   2.408   2.601   3.191
+ 1793TIP3    H160123   2.394   2.587   3.287
+ 1793TIP3    H260124   2.397   2.508   3.160
+ 1793TIP3   OH260125   1.990   2.270   3.466
+ 1793TIP3    H160126   1.925   2.218   3.515
+ 1793TIP3    H260127   2.017   2.206   3.398
+ 1794TIP3   OH260128   2.081   2.076   3.287
+ 1794TIP3    H160129   2.076   2.082   3.189
+ 1794TIP3    H260130   2.177   2.070   3.301
+ 1794TIP3   OH260131   3.030   2.327   3.218
+ 1794TIP3    H160132   3.021   2.280   3.134
+ 1794TIP3    H260133   3.024   2.420   3.189
+ 1794TIP3   OH260134   2.057   3.198   3.398
+ 1794TIP3    H160135   2.152   3.211   3.404
+ 1794TIP3    H260136   2.039   3.239   3.312
+ 1794TIP3   OH260137   1.448   2.636   3.351
+ 1794TIP3    H160138   1.544   2.655   3.362
+ 1794TIP3    H260139   1.450   2.558   3.292
+ 1794TIP3   OH260140   1.352   3.154   3.821
+ 1794TIP3    H160141   1.277   3.118   3.769
+ 1794TIP3    H260142   1.359   3.088   3.893
+ 1794TIP3   OH260143   1.388   2.956   4.019
+ 1794TIP3    H160144   1.360   2.867   4.047
+ 1794TIP3    H260145   1.413   2.992   4.106
+ 1794TIP3   OH260146   3.165   3.099   4.273
+ 1794TIP3    H160147   3.145   3.085   4.367
+ 1794TIP3    H260148   3.262   3.097   4.276
+ 1794TIP3   OH260149   3.073   2.463   3.613
+ 1794TIP3    H160150   3.163   2.493   3.632
+ 1794TIP3    H260151   3.061   2.398   3.685
+ 1794TIP3   OH260152   3.119   2.258   3.812
+ 1794TIP3    H160153   3.050   2.202   3.854
+ 1794TIP3    H260154   3.186   2.267   3.884
+ 1794TIP3   OH260155   3.087   2.490   4.327
+ 1794TIP3    H160156   3.152   2.438   4.278
+ 1794TIP3    H260157   3.095   2.578   4.289
+ 1795TIP3   OH260158   3.145   2.203   3.468
+ 1795TIP3    H160159   3.091   2.231   3.391
+ 1795TIP3    H260160   3.130   2.277   3.529
+ 1795TIP3   OH260161   2.971   1.959   3.294
+ 1795TIP3    H160162   2.996   2.017   3.220
+ 1795TIP3    H260163   2.945   1.877   3.249
+ 1795TIP3   OH260164   2.909   2.071   3.893
+ 1795TIP3    H160165   2.901   1.976   3.876
+ 1795TIP3    H260166   2.871   2.079   3.982
+ 1795TIP3   OH260167   1.394   2.253   4.261
+ 1795TIP3    H160168   1.427   2.284   4.175
+ 1795TIP3    H260169   1.473   2.258   4.318
+ 1795TIP3   OH260170   2.918   1.692   3.213
+ 1795TIP3    H160171   2.973   1.644   3.277
+ 1795TIP3    H260172   2.835   1.642   3.212
+ 1795TIP3   OH260173   2.901   1.821   3.707
+ 1795TIP3    H160174   2.922   1.726   3.714
+ 1795TIP3    H260175   2.983   1.854   3.666
+ 1795TIP3   OH260176   2.920   1.892   4.221
+ 1795TIP3    H160177   3.015   1.883   4.238
+ 1795TIP3    H260178   2.881   1.863   4.305
+ 1795TIP3   OH260179   2.944   1.540   3.710
+ 1795TIP3    H160180   2.941   1.508   3.801
+ 1795TIP3    H260181   2.864   1.495   3.674
+ 1795TIP3   OH260182   1.467   1.672   4.194
+ 1795TIP3    H160183   1.495   1.579   4.201
+ 1795TIP3    H260184   1.531   1.712   4.255
+ 1795TIP3   OH260185   1.313   1.958   4.304
+ 1795TIP3    H160186   1.352   1.921   4.223
+ 1795TIP3    H260187   1.339   2.052   4.297
+ 1796TIP3   OH260188   3.141   1.591   3.374
+ 1796TIP3    H160189   3.172   1.510   3.330
+ 1796TIP3    H260190   3.223   1.642   3.383
+ 1796TIP3   OH260191   1.365   1.566   3.696
+ 1796TIP3    H160192   1.271   1.567   3.671
+ 1796TIP3    H260193   1.407   1.623   3.629
+ 1796TIP3   OH260194   2.828   3.091   3.908
+ 1796TIP3    H160195   2.871   3.069   3.823
+ 1796TIP3    H260196   2.900   3.135   3.954
+ 1796TIP3   OH260197   1.531   2.990   4.263
+ 1796TIP3    H160198   1.568   2.997   4.354
+ 1796TIP3    H260199   1.615   2.974   4.214
+ 1796TIP3   OH260200   1.753   2.906   4.116
+ 1796TIP3    H160201   1.742   2.812   4.141
+ 1796TIP3    H260202   1.844   2.924   4.147
+ 1796TIP3   OH260203   2.018   2.953   4.213
+ 1796TIP3    H160204   2.055   2.868   4.185
+ 1796TIP3    H260205   2.033   2.950   4.308
+ 1796TIP3   OH260206   2.816   1.374   4.145
+ 1796TIP3    H160207   2.898   1.404   4.102
+ 1796TIP3    H260208   2.749   1.385   4.075
+ 1796TIP3   OH260209   3.069   1.453   3.979
+ 1796TIP3    H160210   3.131   1.419   3.913
+ 1796TIP3    H260211   3.086   1.549   3.978
+ 1796TIP3   OH260212   1.594   1.416   3.889
+ 1796TIP3    H160213   1.508   1.402   3.845
+ 1796TIP3    H260214   1.637   1.329   3.874
+ 1796TIP3   OH260215   1.477   1.364   3.477
+ 1796TIP3    H160216   1.528   1.430   3.426
+ 1796TIP3    H260217   1.436   1.419   3.545
+ 1797TIP3   OH260218   2.054   1.410   3.893
+ 1797TIP3    H160219   2.149   1.424   3.879
+ 1797TIP3    H260220   2.055   1.377   3.983
+ 1797TIP3   OH260221   2.711   1.407   3.606
+ 1797TIP3    H160222   2.628   1.459   3.607
+ 1797TIP3    H260223   2.679   1.323   3.643
+ 1797TIP3   OH260224   1.495   2.960   3.594
+ 1797TIP3    H160225   1.432   2.947   3.522
+ 1797TIP3    H260226   1.492   3.056   3.602
+ 1797TIP3   OH260227   1.649   1.547   3.322
+ 1797TIP3    H160228   1.708   1.491   3.270
+ 1797TIP3    H260229   1.709   1.579   3.391
+ 1797TIP3   OH260230   2.153   1.564   3.589
+ 1797TIP3    H160231   2.192   1.496   3.646
+ 1797TIP3    H260232   2.186   1.646   3.630
+ 1797TIP3   OH260233   2.365   3.152   3.392
+ 1797TIP3    H160234   2.460   3.138   3.402
+ 1797TIP3    H260235   2.340   3.076   3.337
+ 1797TIP3   OH260236   2.996   3.060   3.667
+ 1797TIP3    H160237   2.981   2.974   3.621
+ 1797TIP3    H260238   2.999   3.122   3.593
+ 1797TIP3   OH260239   1.639   3.056   3.273
+ 1797TIP3    H160240   1.614   3.082   3.363
+ 1797TIP3    H260241   1.714   2.997   3.287
+ 1797TIP3   OH260242   4.267   2.212   4.209
+ 1797TIP3    H160243   4.252   2.169   4.294
+ 1797TIP3    H260244   4.220   2.154   4.147
+ 1797TIP3   OH260245   3.583   2.650   4.246
+ 1797TIP3    H160246   3.558   2.558   4.224
+ 1797TIP3    H260247   3.680   2.636   4.254
+ 1798TIP3   OH260248   3.281   2.001   3.776
+ 1798TIP3    H160249   3.236   2.087   3.787
+ 1798TIP3    H260250   3.210   1.945   3.744
+ 1798TIP3   OH260251   3.355   2.235   3.974
+ 1798TIP3    H160252   3.376   2.157   4.029
+ 1798TIP3    H260253   3.438   2.247   3.927
+ 1798TIP3   OH260254   4.063   2.428   4.283
+ 1798TIP3    H160255   4.116   2.385   4.214
+ 1798TIP3    H260256   4.136   2.477   4.327
+ 1798TIP3   OH260257   3.741   1.716   4.041
+ 1798TIP3    H160258   3.753   1.803   3.998
+ 1798TIP3    H260259   3.705   1.666   3.965
+ 1798TIP3   OH260260   3.436   1.986   4.099
+ 1798TIP3    H160261   3.476   1.919   4.156
+ 1798TIP3    H260262   3.433   1.939   4.014
+ 1798TIP3   OH260263   3.944   2.124   4.053
+ 1798TIP3    H160264   4.015   2.063   4.081
+ 1798TIP3    H260265   3.894   2.066   3.993
+ 1798TIP3   OH260266   3.664   1.809   4.300
+ 1798TIP3    H160267   3.646   1.901   4.280
+ 1798TIP3    H260268   3.656   1.765   4.214
+ 1798TIP3   OH260269   3.348   2.545   3.626
+ 1798TIP3    H160270   3.325   2.596   3.547
+ 1798TIP3    H260271   3.364   2.614   3.694
+ 1798TIP3   OH260272   4.035   1.354   4.176
+ 1798TIP3    H160273   4.025   1.257   4.182
+ 1798TIP3    H260274   3.954   1.385   4.220
+ 1798TIP3   OH260275   4.266   2.230   3.631
+ 1798TIP3    H160276   4.198   2.298   3.617
+ 1798TIP3    H260277   4.330   2.254   3.564
+ 1799TIP3   OH260278   4.291   2.078   3.351
+ 1799TIP3    H160279   4.366   2.072   3.411
+ 1799TIP3    H260280   4.295   1.997   3.299
+ 1799TIP3   OH260281   3.758   2.321   3.927
+ 1799TIP3    H160282   3.724   2.277   3.847
+ 1799TIP3    H260283   3.820   2.254   3.962
+ 1799TIP3   OH260284   3.855   2.632   4.155
+ 1799TIP3    H160285   3.893   2.592   4.075
+ 1799TIP3    H260286   3.932   2.643   4.213
+ 1799TIP3   OH260287   3.790   2.185   4.281
+ 1799TIP3    H160288   3.849   2.196   4.204
+ 1799TIP3    H260289   3.815   2.259   4.339
+ 1799TIP3   OH260290   4.249   2.842   3.846
+ 1799TIP3    H160291   4.300   2.887   3.917
+ 1799TIP3    H260292   4.200   2.916   3.808
+ 1799TIP3   OH260293   3.651   2.193   3.680
+ 1799TIP3    H160294   3.629   2.269   3.623
+ 1799TIP3    H260295   3.584   2.129   3.654
+ 1799TIP3   OH260296   3.270   2.739   4.232
+ 1799TIP3    H160297   3.365   2.731   4.245
+ 1799TIP3    H260298   3.249   2.815   4.288
+ 1799TIP3   OH260299   4.166   3.128   3.684
+ 1799TIP3    H160300   4.217   3.124   3.602
+ 1799TIP3    H260301   4.206   3.202   3.732
+ 1799TIP3   OH260302   3.573   3.031   3.863
+ 1799TIP3    H160303   3.592   2.987   3.949
+ 1799TIP3    H260304   3.488   2.991   3.840
+ 1799TIP3   OH260305   3.790   1.444   4.290
+ 1799TIP3    H160306   3.706   1.434   4.243
+ 1799TIP3    H260307   3.794   1.540   4.308
+ 1800TIP3   OH260308   4.233   1.678   3.349
+ 1800TIP3    H160309   4.173   1.664   3.423
+ 1800TIP3    H260310   4.201   1.611   3.287
+ 1800TIP3   OH260311   3.777   1.952   3.884
+ 1800TIP3    H160312   3.681   1.942   3.869
+ 1800TIP3    H260313   3.810   1.929   3.795
+ 1800TIP3   OH260314   4.279   1.999   3.833
+ 1800TIP3    H160315   4.271   2.093   3.811
+ 1800TIP3    H260316   4.371   1.992   3.864
+ 1800TIP3   OH260317   3.865   1.717   3.235
+ 1800TIP3    H160318   3.823   1.684   3.317
+ 1800TIP3    H260319   3.787   1.736   3.180
+ 1800TIP3   OH260320   3.210   1.719   3.939
+ 1800TIP3    H160321   3.257   1.699   4.022
+ 1800TIP3    H260322   3.251   1.661   3.873
+ 1800TIP3   OH260323   3.360   1.747   3.512
+ 1800TIP3    H160324   3.413   1.797   3.447
+ 1800TIP3    H260325   3.290   1.812   3.532
+ 1800TIP3   OH260326   4.045   1.696   3.986
+ 1800TIP3    H160327   3.950   1.697   4.009
+ 1800TIP3    H260328   4.085   1.698   4.073
+ 1800TIP3   OH260329   3.511   1.834   3.852
+ 1800TIP3    H160330   3.426   1.859   3.812
+ 1800TIP3    H260331   3.535   1.753   3.803
+ 1800TIP3   OH260332   3.874   1.860   3.618
+ 1800TIP3    H160333   3.969   1.880   3.624
+ 1800TIP3    H260334   3.843   1.922   3.549
+ 1800TIP3   OH260335   3.723   1.988   3.398
+ 1800TIP3    H160336   3.661   1.963   3.328
+ 1800TIP3    H260337   3.803   2.004   3.346
+ 1801TIP3   OH260338   4.131   1.944   4.152
+ 1801TIP3    H160339   4.198   1.901   4.097
+ 1801TIP3    H260340   4.150   1.906   4.240
+ 1801TIP3   OH260341   3.685   1.604   3.784
+ 1801TIP3    H160342   3.626   1.528   3.800
+ 1801TIP3    H260343   3.763   1.561   3.747
+ 1801TIP3   OH260344   4.069   2.437   3.585
+ 1801TIP3    H160345   3.993   2.387   3.549
+ 1801TIP3    H260346   4.047   2.444   3.681
+ 1801TIP3   OH260347   3.563   2.355   4.173
+ 1801TIP3    H160348   3.625   2.369   4.099
+ 1801TIP3    H260349   3.609   2.285   4.223
+ 1801TIP3   OH260350   4.287   2.574   3.483
+ 1801TIP3    H160351   4.262   2.664   3.513
+ 1801TIP3    H260352   4.210   2.523   3.515
+ 1801TIP3   OH260353   3.816   2.713   3.865
+ 1801TIP3    H160354   3.858   2.799   3.876
+ 1801TIP3    H260355   3.722   2.736   3.867
+ 1801TIP3   OH260356   3.415   2.195   3.350
+ 1801TIP3    H160357   3.473   2.262   3.391
+ 1801TIP3    H260358   3.328   2.220   3.386
+ 1801TIP3   OH260359   3.994   2.482   3.857
+ 1801TIP3    H160360   3.965   2.575   3.860
+ 1801TIP3    H260361   3.916   2.436   3.891
+ 1801TIP3   OH260362   3.860   3.008   3.792
+ 1801TIP3    H160363   3.766   3.018   3.815
+ 1801TIP3    H260364   3.899   3.088   3.832
+ 1801TIP3   OH260365   3.993   2.733   3.203
+ 1801TIP3    H160366   4.023   2.671   3.133
+ 1801TIP3    H260367   3.960   2.671   3.269
+ 1802TIP3   OH260368   3.876   2.677   3.484
+ 1802TIP3    H160369   3.930   2.618   3.537
+ 1802TIP3    H260370   3.911   2.764   3.507
+ 1802TIP3   OH260371   3.565   2.414   3.504
+ 1802TIP3    H160372   3.494   2.455   3.559
+ 1802TIP3    H260373   3.615   2.493   3.477
+ 1802TIP3   OH260374   4.170   2.832   3.521
+ 1802TIP3    H160375   4.101   2.894   3.545
+ 1802TIP3    H260376   4.212   2.874   3.445
+ 1802TIP3   OH260377   4.141   1.795   3.726
+ 1802TIP3    H160378   4.202   1.865   3.758
+ 1802TIP3    H260379   4.101   1.772   3.812
+ 1802TIP3   OH260380   4.191   1.505   3.844
+ 1802TIP3    H160381   4.165   1.582   3.898
+ 1802TIP3    H260382   4.271   1.538   3.799
+ 1802TIP3   OH260383   3.890   2.989   3.513
+ 1802TIP3    H160384   3.965   3.048   3.507
+ 1802TIP3    H260385   3.874   2.989   3.610
+ 1802TIP3   OH260386   3.769   1.610   3.472
+ 1802TIP3    H160387   3.768   1.685   3.534
+ 1802TIP3    H260388   3.849   1.562   3.498
+ 1802TIP3   OH260389   3.611   2.701   3.378
+ 1802TIP3    H160390   3.689   2.736   3.426
+ 1802TIP3    H260391   3.657   2.647   3.312
+ 1802TIP3   OH260392   3.424   1.915   3.293
+ 1802TIP3    H160393   3.435   2.010   3.316
+ 1802TIP3    H260394   3.336   1.914   3.253
+ 1802TIP3   OH260395   3.516   1.413   4.170
+ 1802TIP3    H160396   3.498   1.419   4.074
+ 1802TIP3    H260397   3.473   1.330   4.195
+ 1803TIP3   OH260398   3.401   2.765   3.795
+ 1803TIP3    H160399   3.328   2.822   3.825
+ 1803TIP3    H260400   3.444   2.821   3.728
+ 1803TIP3   OH260401   4.228   2.887   3.242
+ 1803TIP3    H160402   4.147   2.834   3.226
+ 1803TIP3    H260403   4.293   2.821   3.214
+ 1803TIP3   OH260404   3.757   2.471   3.234
+ 1803TIP3    H160405   3.778   2.405   3.301
+ 1803TIP3    H260406   3.838   2.465   3.178
+ 1803TIP3   OH260407   4.261   2.600   3.188
+ 1803TIP3    H160408   4.276   2.601   3.284
+ 1803TIP3    H260409   4.242   2.506   3.172
+ 1803TIP3   OH260410   3.872   2.269   3.462
+ 1803TIP3    H160411   3.808   2.218   3.515
+ 1803TIP3    H260412   3.901   2.202   3.398
+ 1803TIP3   OH260413   3.979   2.070   3.288
+ 1803TIP3    H160414   3.969   2.079   3.191
+ 1803TIP3    H260415   4.074   2.088   3.299
+ 1803TIP3   OH260416   3.333   2.641   3.345
+ 1803TIP3    H160417   3.428   2.654   3.363
+ 1803TIP3    H260418   3.334   2.557   3.293
+ 1803TIP3   OH260419   3.238   3.144   3.810
+ 1803TIP3    H160420   3.151   3.118   3.775
+ 1803TIP3    H260421   3.244   3.087   3.889
+ 1803TIP3   OH260422   3.274   2.955   4.018
+ 1803TIP3    H160423   3.248   2.867   4.049
+ 1803TIP3    H260424   3.301   2.992   4.104
+ 1803TIP3   OH260425   3.280   2.257   4.262
+ 1803TIP3    H160426   3.316   2.286   4.177
+ 1803TIP3    H260427   3.359   2.256   4.319
+ 1804TIP3   OH260428   3.355   1.674   4.193
+ 1804TIP3    H160429   3.381   1.582   4.204
+ 1804TIP3    H260430   3.412   1.717   4.258
+ 1804TIP3   OH260431   3.197   1.959   4.304
+ 1804TIP3    H160432   3.235   1.922   4.223
+ 1804TIP3    H260433   3.223   2.053   4.297
+ 1804TIP3   OH260434   3.251   1.561   3.694
+ 1804TIP3    H160435   3.156   1.565   3.674
+ 1804TIP3    H260436   3.290   1.623   3.628
+ 1804TIP3   OH260437   3.418   2.994   4.261
+ 1804TIP3    H160438   3.451   2.998   4.353
+ 1804TIP3    H260439   3.502   2.974   4.215
+ 1804TIP3   OH260440   3.640   2.904   4.112
+ 1804TIP3    H160441   3.627   2.812   4.142
+ 1804TIP3    H260442   3.729   2.923   4.148
+ 1804TIP3   OH260443   3.900   2.950   4.213
+ 1804TIP3    H160444   3.942   2.867   4.188
+ 1804TIP3    H260445   3.921   2.954   4.307
+ 1804TIP3   OH260446   4.268   1.521   4.133
+ 1804TIP3    H160447   4.190   1.468   4.158
+ 1804TIP3    H260448   4.298   1.476   4.054
+ 1804TIP3   OH260449   3.482   1.417   3.886
+ 1804TIP3    H160450   3.395   1.403   3.844
+ 1804TIP3    H260451   3.522   1.329   3.873
+ 1804TIP3   OH260452   3.364   1.364   3.477
+ 1804TIP3    H160453   3.411   1.432   3.426
+ 1804TIP3    H260454   3.320   1.417   3.546
+ 1804TIP3   OH260455   3.935   1.393   3.885
+ 1804TIP3    H160456   4.026   1.427   3.874
+ 1804TIP3    H260457   3.931   1.385   3.981
+ 1805TIP3   OH260458   3.381   2.960   3.583
+ 1805TIP3    H160459   3.310   2.947   3.519
+ 1805TIP3    H260460   3.371   3.054   3.605
+ 1805TIP3   OH260461   3.533   1.548   3.319
+ 1805TIP3    H160462   3.594   1.491   3.269
+ 1805TIP3    H260463   3.591   1.581   3.389
+ 1805TIP3   OH260464   4.068   1.566   3.577
+ 1805TIP3    H160465   4.068   1.506   3.653
+ 1805TIP3    H260466   4.058   1.652   3.620
+ 1805TIP3   OH260467   4.232   3.138   3.391
+ 1805TIP3    H160468   4.323   3.173   3.391
+ 1805TIP3    H260469   4.237   3.068   3.324
+ 1805TIP3   OH260470   3.530   3.062   3.276
+ 1805TIP3    H160471   3.501   3.077   3.367
+ 1805TIP3    H260472   3.590   2.987   3.286
+ 1805TIP3   OH260473  -3.162   4.193   3.895
+ 1805TIP3    H160474  -3.180   4.286   3.914
+ 1805TIP3    H260475  -3.239   4.168   3.842
+ 1805TIP3   OH260476  -3.301   4.120   4.252
+ 1805TIP3    H160477  -3.277   4.045   4.308
+ 1805TIP3    H260478  -3.286   4.086   4.163
+ 1805TIP3   OH260479  -4.216   3.905   3.664
+ 1805TIP3    H160480  -4.245   3.990   3.699
+ 1805TIP3    H260481  -4.300   3.858   3.656
+ 1805TIP3   OH260482  -4.194   4.118   3.958
+ 1805TIP3    H160483  -4.185   4.046   4.023
+ 1805TIP3    H260484  -4.102   4.129   3.932
+ 1805TIP3   OH260485  -3.119   3.817   4.323
+ 1805TIP3    H160486  -3.075   3.732   4.342
+ 1805TIP3    H260487  -3.111   3.823   4.226
+ 1806TIP3   OH260488  -3.800   3.601   4.038
+ 1806TIP3    H160489  -3.788   3.688   3.997
+ 1806TIP3    H260490  -3.840   3.550   3.965
+ 1806TIP3   OH260491  -3.017   3.623   3.865
+ 1806TIP3    H160492  -2.965   3.583   3.938
+ 1806TIP3    H260493  -2.947   3.668   3.817
+ 1806TIP3   OH260494  -4.121   3.872   4.096
+ 1806TIP3    H160495  -4.082   3.822   4.168
+ 1806TIP3    H260496  -4.105   3.813   4.020
+ 1806TIP3   OH260497  -3.601   4.013   4.058
+ 1806TIP3    H160498  -3.528   3.954   4.086
+ 1806TIP3    H260499  -3.650   3.955   3.997
+ 1806TIP3   OH260500  -2.843   3.565   4.067
+ 1806TIP3    H160501  -2.844   3.475   4.107
+ 1806TIP3    H260502  -2.791   3.612   4.135
+ 1806TIP3   OH260503  -3.863   3.711   4.296
+ 1806TIP3    H160504  -3.909   3.793   4.278
+ 1806TIP3    H260505  -3.893   3.651   4.226
+ 1806TIP3   OH260506  -3.508   3.240   4.178
+ 1806TIP3    H160507  -3.517   3.144   4.183
+ 1806TIP3    H260508  -3.592   3.269   4.220
+ 1806TIP3   OH260509  -3.309   4.144   3.636
+ 1806TIP3    H160510  -3.372   4.180   3.573
+ 1806TIP3    H260511  -3.230   4.133   3.580
+ 1806TIP3   OH260512  -3.267   3.943   3.353
+ 1806TIP3    H160513  -3.195   3.978   3.408
+ 1806TIP3    H260514  -3.217   3.892   3.288
+ 1806TIP3   OH260515  -2.937   4.141   3.738
+ 1806TIP3    H160516  -3.003   4.162   3.807
+ 1806TIP3    H260517  -2.871   4.090   3.789
+ 1807TIP3   OH260518  -3.794   4.211   3.934
+ 1807TIP3    H160519  -3.807   4.182   3.842
+ 1807TIP3    H260520  -3.712   4.163   3.958
+ 1807TIP3   OH260521  -3.766   4.104   4.281
+ 1807TIP3    H160522  -3.697   4.080   4.217
+ 1807TIP3    H260523  -3.715   4.136   4.357
+ 1807TIP3   OH260524  -3.055   4.073   3.501
+ 1807TIP3    H160525  -2.999   4.101   3.578
+ 1807TIP3    H260526  -3.008   4.119   3.427
+ 1807TIP3   OH260527  -2.706   3.246   3.443
+ 1807TIP3    H160528  -2.793   3.256   3.486
+ 1807TIP3    H260529  -2.670   3.336   3.450
+ 1807TIP3   OH260530  -3.899   4.089   3.682
+ 1807TIP3    H160531  -3.914   4.165   3.622
+ 1807TIP3    H260532  -3.959   4.022   3.647
+ 1807TIP3   OH260533  -3.747   3.330   4.284
+ 1807TIP3    H160534  -3.834   3.308   4.246
+ 1807TIP3    H260535  -3.764   3.421   4.315
+ 1807TIP3   OH260536  -2.916   4.176   3.295
+ 1807TIP3    H160537  -2.921   4.159   3.200
+ 1807TIP3    H260538  -2.828   4.216   3.303
+ 1807TIP3   OH260539  -3.329   3.557   3.345
+ 1807TIP3    H160540  -3.378   3.546   3.427
+ 1807TIP3    H260541  -3.371   3.489   3.289
+ 1807TIP3   OH260542  -3.768   3.836   3.882
+ 1807TIP3    H160543  -3.863   3.830   3.865
+ 1807TIP3    H260544  -3.732   3.815   3.794
+ 1807TIP3   OH260545  -3.207   3.898   3.764
+ 1807TIP3    H160546  -3.251   3.975   3.725
+ 1807TIP3    H260547  -3.139   3.878   3.697
+ 1808TIP3   OH260548  -3.128   3.832   4.042
+ 1808TIP3    H160549  -3.154   3.886   3.965
+ 1808TIP3    H260550  -3.105   3.749   3.997
+ 1808TIP3   OH260551  -3.685   3.598   3.236
+ 1808TIP3    H160552  -3.723   3.565   3.319
+ 1808TIP3    H260553  -3.764   3.621   3.185
+ 1808TIP3   OH260554  -4.318   3.604   3.930
+ 1808TIP3    H160555  -4.307   3.590   4.026
+ 1808TIP3    H260556  -4.267   3.532   3.895
+ 1808TIP3   OH260557  -4.212   3.642   3.519
+ 1808TIP3    H160558  -4.148   3.674   3.452
+ 1808TIP3    H260559  -4.283   3.705   3.505
+ 1808TIP3   OH260560  -3.500   3.599   3.984
+ 1808TIP3    H160561  -3.592   3.588   4.012
+ 1808TIP3    H260562  -3.452   3.572   4.064
+ 1808TIP3   OH260563  -4.040   3.721   3.847
+ 1808TIP3    H160564  -4.114   3.736   3.786
+ 1808TIP3    H260565  -4.003   3.638   3.814
+ 1808TIP3   OH260566  -3.671   3.748   3.619
+ 1808TIP3    H160567  -3.575   3.757   3.627
+ 1808TIP3    H260568  -3.695   3.810   3.549
+ 1808TIP3   OH260569  -3.057   3.460   4.282
+ 1808TIP3    H160570  -3.093   3.495   4.365
+ 1808TIP3    H260571  -3.131   3.468   4.220
+ 1808TIP3   OH260572  -3.825   3.878   3.399
+ 1808TIP3    H160573  -3.882   3.846   3.327
+ 1808TIP3    H260574  -3.743   3.896   3.350
+ 1808TIP3   OH260575  -3.404   3.833   4.189
+ 1808TIP3    H160576  -3.328   3.803   4.135
+ 1808TIP3    H260577  -3.399   3.772   4.264
+ 1809TIP3   OH260578  -3.875   3.487   3.789
+ 1809TIP3    H160579  -3.915   3.400   3.801
+ 1809TIP3    H260580  -3.790   3.464   3.747
+ 1809TIP3   OH260581  -3.523   4.366   3.605
+ 1809TIP3    H160582  -3.560   4.298   3.545
+ 1809TIP3    H260583  -3.469   4.317   3.668
+ 1809TIP3   OH260584  -3.060   3.619   3.354
+ 1809TIP3    H160585  -3.159   3.614   3.355
+ 1809TIP3    H260586  -3.042   3.688   3.422
+ 1809TIP3   OH260587  -2.993   3.796   3.563
+ 1809TIP3    H160588  -2.907   3.781   3.606
+ 1809TIP3    H260589  -2.982   3.885   3.526
+ 1809TIP3   OH260590  -3.968   4.213   4.148
+ 1809TIP3    H160591  -3.899   4.231   4.080
+ 1809TIP3    H260592  -3.911   4.162   4.210
+ 1809TIP3   OH260593  -2.534   3.796   3.537
+ 1809TIP3    H160594  -2.591   3.779   3.459
+ 1809TIP3    H260595  -2.522   3.892   3.526
+ 1809TIP3   OH260596  -3.022   4.216   4.221
+ 1809TIP3    H160597  -3.095   4.185   4.277
+ 1809TIP3    H260598  -2.970   4.136   4.202
+ 1809TIP3   OH260599  -4.166   4.093   3.371
+ 1809TIP3    H160600  -4.088   4.143   3.399
+ 1809TIP3    H260601  -4.232   4.165   3.371
+ 1809TIP3   OH260602  -3.958  -4.391   3.525
+ 1809TIP3    H160603  -4.051  -4.359   3.528
+ 1809TIP3    H260604  -3.911  -4.310   3.501
+ 1809TIP3   OH260605  -3.143   3.491   3.632
+ 1809TIP3    H160606  -3.127   3.549   3.556
+ 1809TIP3    H260607  -3.101   3.542   3.704
+ 1810TIP3   OH260608  -3.405   3.694   3.727
+ 1810TIP3    H160609  -3.328   3.751   3.745
+ 1810TIP3    H260610  -3.436   3.672   3.817
+ 1810TIP3   OH260611  -3.351   3.393   3.816
+ 1810TIP3    H160612  -3.362   3.453   3.893
+ 1810TIP3    H260613  -3.273   3.432   3.773
+ 1810TIP3   OH260614  -3.774   3.496   3.479
+ 1810TIP3    H160615  -3.767   3.575   3.535
+ 1810TIP3    H260616  -3.693   3.448   3.505
+ 1810TIP3   OH260617  -2.895   3.970   4.134
+ 1810TIP3    H160618  -2.974   3.920   4.107
+ 1810TIP3    H260619  -2.837   3.898   4.170
+ 1810TIP3   OH260620  -4.117   3.797   3.298
+ 1810TIP3    H160621  -4.105   3.891   3.319
+ 1810TIP3    H260622  -4.199   3.794   3.247
+ 1810TIP3   OH260623  -4.013   3.269   4.161
+ 1810TIP3    H160624  -4.063   3.297   4.083
+ 1810TIP3    H260625  -4.080   3.227   4.217
+ 1810TIP3   OH260626  -3.659   4.161   3.459
+ 1810TIP3    H160627  -3.727   4.120   3.514
+ 1810TIP3    H260628  -3.646   4.093   3.390
+ 1810TIP3   OH260629  -3.578   3.956   3.283
+ 1810TIP3    H160630  -3.581   3.972   3.187
+ 1810TIP3    H260631  -3.483   3.956   3.300
+ 1810TIP3   OH260632  -2.648   4.189   3.206
+ 1810TIP3    H160633  -2.658   4.185   3.109
+ 1810TIP3    H260634  -2.646   4.285   3.225
+ 1810TIP3   OH260635  -2.569   4.358   3.642
+ 1810TIP3    H160636  -2.473   4.362   3.633
+ 1810TIP3    H260637  -2.584   4.279   3.695
+ 1811TIP3   OH260638  -2.528   4.132   3.812
+ 1811TIP3    H160639  -2.608   4.091   3.851
+ 1811TIP3    H260640  -2.473   4.151   3.890
+ 1811TIP3   OH260641  -2.512   4.094   3.461
+ 1811TIP3    H160642  -2.576   4.117   3.391
+ 1811TIP3    H260643  -2.526   4.166   3.524
+ 1811TIP3   OH260644  -2.686   3.843   3.295
+ 1811TIP3    H160645  -2.666   3.907   3.226
+ 1811TIP3    H260646  -2.709   3.762   3.245
+ 1811TIP3   OH260647  -2.759   3.966   3.885
+ 1811TIP3    H160648  -2.760   3.869   3.874
+ 1811TIP3    H260649  -2.791   3.976   3.977
+ 1811TIP3   OH260650  -4.235   4.171   4.280
+ 1811TIP3    H160651  -4.220   4.188   4.186
+ 1811TIP3    H260652  -4.146   4.152   4.311
+ 1811TIP3   OH260653  -2.739   3.577   3.212
+ 1811TIP3    H160654  -2.682   3.530   3.276
+ 1811TIP3    H260655  -2.821   3.525   3.213
+ 1811TIP3   OH260656  -2.759   3.707   3.709
+ 1811TIP3    H160657  -2.735   3.612   3.717
+ 1811TIP3    H260658  -2.677   3.742   3.669
+ 1811TIP3   OH260659  -2.734   3.778   4.222
+ 1811TIP3    H160660  -2.639   3.772   4.240
+ 1811TIP3    H260661  -2.773   3.748   4.306
+ 1811TIP3   OH260662  -2.711   3.426   3.706
+ 1811TIP3    H160663  -2.703   3.396   3.799
+ 1811TIP3    H260664  -2.792   3.379   3.678
+ 1811TIP3   OH260665  -4.166   3.573   4.193
+ 1811TIP3    H160666  -4.187   3.484   4.222
+ 1811TIP3    H260667  -4.111   3.601   4.267
+ 1812TIP3   OH260668  -4.352   3.825   4.315
+ 1812TIP3    H160669  -4.306   3.783   4.241
+ 1812TIP3    H260670  -4.308   3.911   4.321
+ 1812TIP3   OH260671  -2.516   3.476   3.373
+ 1812TIP3    H160672  -2.484   3.395   3.329
+ 1812TIP3    H260673  -2.435   3.528   3.383
+ 1812TIP3   OH260674  -4.312   3.425   3.643
+ 1812TIP3    H160675  -4.397   3.468   3.629
+ 1812TIP3    H260676  -4.252   3.497   3.611
+ 1812TIP3   OH260677  -3.301   3.439   4.124
+ 1812TIP3    H160678  -3.360   3.367   4.153
+ 1812TIP3    H260679  -3.231   3.389   4.077
+ 1812TIP3   OH260680  -2.806   3.313   4.147
+ 1812TIP3    H160681  -2.722   3.268   4.130
+ 1812TIP3    H260682  -2.874   3.249   4.125
+ 1812TIP3   OH260683  -2.587   3.341   3.956
+ 1812TIP3    H160684  -2.512   3.306   3.905
+ 1812TIP3    H260685  -2.561   3.433   3.974
+ 1812TIP3   OH260686  -4.112   3.291   3.881
+ 1812TIP3    H160687  -4.180   3.249   3.827
+ 1812TIP3    H260688  -4.043   3.222   3.883
+ 1812TIP3   OH260689  -4.198   3.246   3.463
+ 1812TIP3    H160690  -4.139   3.308   3.415
+ 1812TIP3    H260691  -4.237   3.307   3.529
+ 1812TIP3   OH260692  -3.612   3.276   3.890
+ 1812TIP3    H160693  -3.523   3.313   3.874
+ 1812TIP3    H260694  -3.612   3.270   3.987
+ 1812TIP3   OH260695  -3.081   3.293   3.998
+ 1812TIP3    H160696  -3.030   3.267   3.921
+ 1812TIP3    H260697  -3.099   3.208   4.041
+ 1813TIP3   OH260698  -2.944   3.287   3.614
+ 1813TIP3    H160699  -3.025   3.341   3.605
+ 1813TIP3    H260700  -2.981   3.199   3.631
+ 1813TIP3   OH260701  -4.007   3.432   3.324
+ 1813TIP3    H160702  -3.946   3.379   3.270
+ 1813TIP3    H260703  -3.946   3.466   3.392
+ 1813TIP3   OH260704  -3.500   3.450   3.583
+ 1813TIP3    H160705  -3.463   3.395   3.654
+ 1813TIP3    H260706  -3.480   3.538   3.619
+ 1813TIP3   OH260707  -1.421   4.115   4.244
+ 1813TIP3    H160708  -1.385   4.048   4.303
+ 1813TIP3    H260709  -1.397   4.083   4.156
+ 1813TIP3   OH260710  -2.375   3.888   3.776
+ 1813TIP3    H160711  -2.421   3.973   3.787
+ 1813TIP3    H260712  -2.447   3.831   3.744
+ 1813TIP3   OH260713  -2.287   4.129   3.973
+ 1813TIP3    H160714  -2.283   4.054   4.036
+ 1813TIP3    H260715  -2.205   4.113   3.924
+ 1813TIP3   OH260716  -1.252   3.812   4.299
+ 1813TIP3    H160717  -1.196   3.738   4.327
+ 1813TIP3    H260718  -1.221   3.831   4.208
+ 1813TIP3   OH260719  -1.881   3.596   4.036
+ 1813TIP3    H160720  -1.866   3.685   3.999
+ 1813TIP3    H260721  -1.927   3.552   3.962
+ 1813TIP3   OH260722  -1.130   3.593   3.851
+ 1813TIP3    H160723  -1.082   3.579   3.934
+ 1813TIP3    H260724  -1.113   3.687   3.836
+ 1813TIP3   OH260725  -2.224   3.870   4.101
+ 1813TIP3    H160726  -2.182   3.809   4.162
+ 1813TIP3    H260727  -2.221   3.820   4.017
+ 1814TIP3   OH260728  -1.717   4.012   4.063
+ 1814TIP3    H160729  -1.638   3.958   4.081
+ 1814TIP3    H260730  -1.763   3.958   3.998
+ 1814TIP3   OH260731  -0.958   3.551   4.073
+ 1814TIP3    H160732  -0.957   3.471   4.129
+ 1814TIP3    H260733  -0.905   3.611   4.129
+ 1814TIP3   OH260734  -2.001   3.687   4.282
+ 1814TIP3    H160735  -2.001   3.783   4.268
+ 1814TIP3    H260736  -1.992   3.651   4.192
+ 1814TIP3   OH260737  -1.623   3.254   4.147
+ 1814TIP3    H160738  -1.604   3.162   4.173
+ 1814TIP3    H260739  -1.695   3.276   4.210
+ 1814TIP3   OH260740  -1.445   4.095   3.596
+ 1814TIP3    H160741  -1.482   4.186   3.597
+ 1814TIP3    H260742  -1.352   4.111   3.615
+ 1814TIP3   OH260743  -1.371   3.944   3.328
+ 1814TIP3    H160744  -1.342   3.982   3.414
+ 1814TIP3    H260745  -1.288   3.910   3.297
+ 1814TIP3   OH260746  -1.060   4.156   3.740
+ 1814TIP3    H160747  -1.123   4.172   3.812
+ 1814TIP3    H260748  -0.994   4.102   3.787
+ 1814TIP3   OH260749  -1.914   4.207   3.936
+ 1814TIP3    H160750  -1.922   4.180   3.843
+ 1814TIP3    H260751  -1.827   4.172   3.959
+ 1814TIP3   OH260752  -1.878   4.085   4.286
+ 1814TIP3    H160753  -1.811   4.081   4.214
+ 1814TIP3    H260754  -1.837   4.145   4.350
+ 1814TIP3   OH260755  -1.150   4.050   3.503
+ 1814TIP3    H160756  -1.110   4.088   3.585
+ 1814TIP3    H260757  -1.109   4.108   3.434
+ 1815TIP3   OH260758  -0.822   3.248   3.443
+ 1815TIP3    H160759  -0.906   3.258   3.490
+ 1815TIP3    H260760  -0.784   3.337   3.450
+ 1815TIP3   OH260761  -2.009   4.088   3.678
+ 1815TIP3    H160762  -2.026   4.167   3.623
+ 1815TIP3    H260763  -2.076   4.026   3.648
+ 1815TIP3   OH260764  -1.860   3.330   4.286
+ 1815TIP3    H160765  -1.947   3.319   4.245
+ 1815TIP3    H260766  -1.858   3.424   4.310
+ 1815TIP3   OH260767  -1.035   4.182   3.293
+ 1815TIP3    H160768  -1.027   4.152   3.201
+ 1815TIP3    H260769  -0.947   4.221   3.309
+ 1815TIP3   OH260770  -1.428   3.556   3.333
+ 1815TIP3    H160771  -1.463   3.557   3.423
+ 1815TIP3    H260772  -1.478   3.481   3.294
+ 1815TIP3   OH260773  -1.879   3.836   3.883
+ 1815TIP3    H160774  -1.975   3.827   3.870
+ 1815TIP3    H260775  -1.847   3.820   3.793
+ 1815TIP3   OH260776  -1.787   3.600   3.234
+ 1815TIP3    H160777  -1.829   3.569   3.316
+ 1815TIP3    H260778  -1.863   3.623   3.179
+ 1815TIP3   OH260779  -2.451   3.599   3.941
+ 1815TIP3    H160780  -2.398   3.589   4.022
+ 1815TIP3    H260781  -2.401   3.549   3.875
+ 1815TIP3   OH260782  -2.298   3.633   3.513
+ 1815TIP3    H160783  -2.244   3.682   3.448
+ 1815TIP3    H260784  -2.367   3.698   3.532
+ 1815TIP3   OH260785  -2.147   3.716   3.856
+ 1815TIP3    H160786  -2.229   3.745   3.813
+ 1815TIP3    H260787  -2.121   3.637   3.806
+ 1816TIP3   OH260788  -1.772   3.745   3.617
+ 1816TIP3    H160789  -1.680   3.773   3.629
+ 1816TIP3    H260790  -1.806   3.809   3.551
+ 1816TIP3   OH260791  -1.218   3.436   4.277
+ 1816TIP3    H160792  -1.220   3.497   4.352
+ 1816TIP3    H260793  -1.234   3.492   4.201
+ 1816TIP3   OH260794  -1.939   3.868   3.400
+ 1816TIP3    H160795  -1.995   3.845   3.324
+ 1816TIP3    H260796  -1.857   3.896   3.355
+ 1816TIP3   OH260797  -1.522   3.810   4.162
+ 1816TIP3    H160798  -1.436   3.819   4.115
+ 1816TIP3    H260799  -1.494   3.778   4.249
+ 1816TIP3   OH260800  -1.965   3.484   3.789
+ 1816TIP3    H160801  -2.033   3.413   3.797
+ 1816TIP3    H260802  -1.913   3.455   3.714
+ 1816TIP3   OH260803  -1.587   4.327   3.593
+ 1816TIP3    H160804  -1.662   4.292   3.541
+ 1816TIP3    H260805  -1.625   4.338   3.681
+ 1816TIP3   OH260806  -1.130   3.761   3.514
+ 1816TIP3    H160807  -1.057   3.747   3.577
+ 1816TIP3    H260808  -1.136   3.858   3.515
+ 1816TIP3   OH260809  -2.065   4.236   4.163
+ 1816TIP3    H160810  -2.003   4.238   4.087
+ 1816TIP3    H260811  -2.025   4.163   4.214
+ 1816TIP3   OH260812  -0.647   3.796   3.539
+ 1816TIP3    H160813  -0.705   3.779   3.462
+ 1816TIP3    H260814  -0.635   3.892   3.527
+ 1816TIP3   OH260815  -1.122   4.191   4.244
+ 1816TIP3    H160816  -1.209   4.168   4.278
+ 1816TIP3    H260817  -1.087   4.110   4.202
+ 1817TIP3   OH260818  -2.249   4.095   3.342
+ 1817TIP3    H160819  -2.189   4.155   3.390
+ 1817TIP3    H260820  -2.333   4.111   3.388
+ 1817TIP3   OH260821  -2.072  -4.386   3.529
+ 1817TIP3    H160822  -2.163  -4.351   3.542
+ 1817TIP3    H260823  -2.026  -4.305   3.503
+ 1817TIP3   OH260824  -1.257   3.496   3.613
+ 1817TIP3    H160825  -1.241   3.577   3.561
+ 1817TIP3    H260826  -1.229   3.528   3.701
+ 1817TIP3   OH260827  -1.497   3.698   3.761
+ 1817TIP3    H160828  -1.419   3.756   3.758
+ 1817TIP3    H260829  -1.530   3.724   3.848
+ 1817TIP3   OH260830  -1.885   3.496   3.478
+ 1817TIP3    H160831  -1.878   3.579   3.530
+ 1817TIP3    H260832  -1.800   3.454   3.500
+ 1817TIP3   OH260833  -1.023   3.958   4.132
+ 1817TIP3    H160834  -1.094   3.922   4.074
+ 1817TIP3    H260835  -0.970   3.879   4.157
+ 1817TIP3   OH260836  -2.235   3.800   3.294
+ 1817TIP3    H160837  -2.221   3.895   3.313
+ 1817TIP3    H260838  -2.321   3.800   3.250
+ 1817TIP3   OH260839  -2.141   3.299   4.171
+ 1817TIP3    H160840  -2.161   3.303   4.075
+ 1817TIP3    H260841  -2.179   3.215   4.198
+ 1817TIP3   OH260842  -1.789   4.168   3.458
+ 1817TIP3    H160843  -1.840   4.116   3.521
+ 1817TIP3    H260844  -1.757   4.099   3.396
+ 1817TIP3   OH260845  -1.689   3.955   3.288
+ 1817TIP3    H160846  -1.690   3.969   3.192
+ 1817TIP3    H260847  -1.594   3.964   3.307
+ 1818TIP3   OH260848  -0.759   4.185   3.212
+ 1818TIP3    H160849  -0.772   4.176   3.116
+ 1818TIP3    H260850  -0.761   4.282   3.225
+ 1818TIP3   OH260851  -0.675   4.349   3.632
+ 1818TIP3    H160852  -0.580   4.356   3.645
+ 1818TIP3    H260853  -0.700   4.280   3.696
+ 1818TIP3   OH260854  -0.643   4.133   3.813
+ 1818TIP3    H160855  -0.722   4.089   3.850
+ 1818TIP3    H260856  -0.590   4.152   3.893
+ 1818TIP3   OH260857  -0.624   4.096   3.461
+ 1818TIP3    H160858  -0.687   4.117   3.390
+ 1818TIP3    H260859  -0.644   4.167   3.525
+ 1818TIP3   OH260860  -0.786   3.836   3.294
+ 1818TIP3    H160861  -0.781   3.908   3.230
+ 1818TIP3    H260862  -0.825   3.764   3.242
+ 1818TIP3   OH260863  -0.868   3.965   3.885
+ 1818TIP3    H160864  -0.887   3.872   3.866
+ 1818TIP3    H260865  -0.910   3.977   3.972
+ 1818TIP3   OH260866  -2.382   4.133   4.268
+ 1818TIP3    H160867  -2.367   4.189   4.190
+ 1818TIP3    H260868  -2.304   4.152   4.323
+ 1818TIP3   OH260869  -0.859   3.561   3.201
+ 1818TIP3    H160870  -0.798   3.529   3.270
+ 1818TIP3    H260871  -0.943   3.522   3.225
+ 1818TIP3   OH260872  -0.892   3.715   3.698
+ 1818TIP3    H160873  -0.865   3.623   3.716
+ 1818TIP3    H260874  -0.810   3.754   3.665
+ 1818TIP3   OH260875  -0.854   3.769   4.219
+ 1818TIP3    H160876  -0.758   3.779   4.235
+ 1818TIP3    H260877  -0.890   3.767   4.309
+ 1819TIP3   OH260878  -0.823   3.427   3.705
+ 1819TIP3    H160879  -0.817   3.403   3.799
+ 1819TIP3    H260880  -0.908   3.385   3.679
+ 1819TIP3   OH260881  -2.299   3.561   4.192
+ 1819TIP3    H160882  -2.274   3.468   4.206
+ 1819TIP3    H260883  -2.243   3.603   4.259
+ 1819TIP3   OH260884  -2.460   3.845   4.304
+ 1819TIP3    H160885  -2.417   3.810   4.224
+ 1819TIP3    H260886  -2.434   3.939   4.300
+ 1819TIP3   OH260887  -0.634   3.479   3.368
+ 1819TIP3    H160888  -0.599   3.397   3.329
+ 1819TIP3    H260889  -0.552   3.529   3.385
+ 1819TIP3   OH260890  -2.405   3.445   3.691
+ 1819TIP3    H160891  -2.500   3.452   3.674
+ 1819TIP3    H260892  -2.366   3.509   3.628
+ 1819TIP3   OH260893  -0.926   3.278   4.153
+ 1819TIP3    H160894  -0.844   3.293   4.104
+ 1819TIP3    H260895  -0.991   3.260   4.085
+ 1819TIP3   OH260896  -0.709   3.340   3.964
+ 1819TIP3    H160897  -0.635   3.304   3.910
+ 1819TIP3    H260898  -0.678   3.432   3.977
+ 1819TIP3   OH260899  -2.175   3.301   3.882
+ 1819TIP3    H160900  -2.263   3.286   3.841
+ 1819TIP3    H260901  -2.136   3.212   3.875
+ 1819TIP3   OH260902  -2.295   3.250   3.477
+ 1819TIP3    H160903  -2.244   3.316   3.426
+ 1819TIP3    H260904  -2.336   3.304   3.546
+ 1819TIP3   OH260905  -1.228   3.298   3.985
+ 1819TIP3    H160906  -1.147   3.288   3.933
+ 1819TIP3    H260907  -1.217   3.234   4.057
+ 1820TIP3   OH260908  -1.058   3.288   3.613
+ 1820TIP3    H160909  -1.137   3.346   3.607
+ 1820TIP3    H260910  -1.098   3.201   3.628
+ 1820TIP3   OH260911  -2.123   3.432   3.321
+ 1820TIP3    H160912  -2.062   3.377   3.269
+ 1820TIP3    H260913  -2.063   3.466   3.390
+ 1820TIP3   OH260914  -1.621   3.458   3.590
+ 1820TIP3    H160915  -1.568   3.393   3.638
+ 1820TIP3    H260916  -1.589   3.543   3.625
+ 1820TIP3   OH260917   0.610   4.194   3.893
+ 1820TIP3    H160918   0.591   4.286   3.915
+ 1820TIP3    H260919   0.532   4.167   3.843
+ 1820TIP3   OH260920   0.468   4.120   4.249
+ 1820TIP3    H160921   0.492   4.051   4.313
+ 1820TIP3    H260922   0.486   4.081   4.164
+ 1820TIP3   OH260923  -0.491   3.888   3.777
+ 1820TIP3    H160924  -0.537   3.973   3.789
+ 1820TIP3    H260925  -0.562   3.833   3.742
+ 1820TIP3   OH260926  -0.399   4.130   3.973
+ 1820TIP3    H160927  -0.398   4.056   4.036
+ 1820TIP3    H260928  -0.320   4.110   3.922
+ 1820TIP3   OH260929   0.655   3.815   4.322
+ 1820TIP3    H160930   0.696   3.729   4.342
+ 1820TIP3    H260931   0.662   3.820   4.225
+ 1820TIP3   OH260932  -0.037   3.603   4.042
+ 1820TIP3    H160933  -0.017   3.688   3.999
+ 1820TIP3    H260934  -0.068   3.552   3.965
+ 1820TIP3   OH260935   0.754   3.622   3.865
+ 1820TIP3    H160936   0.807   3.583   3.939
+ 1820TIP3    H260937   0.825   3.668   3.817
+ 1821TIP3   OH260938  -0.340   3.868   4.099
+ 1821TIP3    H160939  -0.292   3.809   4.157
+ 1821TIP3    H260940  -0.335   3.821   4.014
+ 1821TIP3   OH260941   0.173   4.015   4.056
+ 1821TIP3    H160942   0.243   3.955   4.086
+ 1821TIP3    H260943   0.123   3.957   3.995
+ 1821TIP3   OH260944   0.931   3.562   4.067
+ 1821TIP3    H160945   0.927   3.474   4.111
+ 1821TIP3    H260946   0.980   3.611   4.135
+ 1821TIP3   OH260947  -0.113   3.693   4.297
+ 1821TIP3    H160948  -0.122   3.787   4.278
+ 1821TIP3    H260949  -0.112   3.651   4.209
+ 1821TIP3   OH260950   0.260   3.241   4.176
+ 1821TIP3    H160951   0.258   3.144   4.183
+ 1821TIP3    H260952   0.178   3.266   4.224
+ 1821TIP3   OH260953   0.462   4.143   3.636
+ 1821TIP3    H160954   0.400   4.182   3.574
+ 1821TIP3    H260955   0.541   4.133   3.579
+ 1821TIP3   OH260956   0.503   3.945   3.352
+ 1821TIP3    H160957   0.576   3.978   3.408
+ 1821TIP3    H260958   0.553   3.892   3.288
+ 1821TIP3   OH260959   0.835   4.142   3.737
+ 1821TIP3    H160960   0.768   4.162   3.806
+ 1821TIP3    H260961   0.900   4.090   3.789
+ 1821TIP3   OH260962  -0.027   4.205   3.937
+ 1821TIP3    H160963  -0.038   4.181   3.843
+ 1821TIP3    H260964   0.058   4.165   3.958
+ 1821TIP3   OH260965   0.008   4.083   4.284
+ 1821TIP3    H160966   0.076   4.084   4.215
+ 1821TIP3    H260967   0.045   4.138   4.354
+ 1822TIP3   OH260968   0.717   4.074   3.500
+ 1822TIP3    H160969   0.772   4.102   3.577
+ 1822TIP3    H260970   0.763   4.121   3.426
+ 1822TIP3   OH260971   1.066   3.247   3.444
+ 1822TIP3    H160972   0.978   3.256   3.485
+ 1822TIP3    H260973   1.101   3.337   3.451
+ 1822TIP3   OH260974  -0.123   4.089   3.680
+ 1822TIP3    H160975  -0.142   4.166   3.623
+ 1822TIP3    H260976  -0.187   4.024   3.649
+ 1822TIP3   OH260977   0.015   3.329   4.293
+ 1822TIP3    H160978  -0.067   3.326   4.240
+ 1822TIP3    H260979   0.028   3.425   4.308
+ 1822TIP3   OH260980   0.853   4.178   3.290
+ 1822TIP3    H160981   0.852   4.152   3.197
+ 1822TIP3    H260982   0.942   4.216   3.299
+ 1822TIP3   OH260983   0.441   3.558   3.344
+ 1822TIP3    H160984   0.392   3.546   3.427
+ 1822TIP3    H260985   0.400   3.489   3.289
+ 1822TIP3   OH260986   0.005   3.835   3.883
+ 1822TIP3    H160987  -0.090   3.828   3.867
+ 1822TIP3    H260988   0.040   3.814   3.795
+ 1822TIP3   OH260989   0.565   3.898   3.764
+ 1822TIP3    H160990   0.520   3.974   3.725
+ 1822TIP3    H260991   0.633   3.878   3.697
+ 1822TIP3   OH260992   0.643   3.832   4.043
+ 1822TIP3    H160993   0.617   3.886   3.965
+ 1822TIP3    H260994   0.666   3.749   3.997
+ 1822TIP3   OH260995   0.084   3.605   3.235
+ 1822TIP3    H160996   0.049   3.568   3.319
+ 1822TIP3    H260997   0.004   3.613   3.181
+ 1823TIP3   OH260998  -0.569   3.591   3.942
+ 1823TIP3    H160999  -0.512   3.589   4.022
+ 1823TIP3    H261000  -0.514   3.549   3.874
+ 1823TIP3   OH261001  -0.415   3.632   3.512
+ 1823TIP3    H161002  -0.358   3.681   3.449
+ 1823TIP3    H261003  -0.483   3.699   3.531
+ 1823TIP3   OH261004   0.272   3.597   3.982
+ 1823TIP3    H161005   0.180   3.589   4.011
+ 1823TIP3    H261006   0.321   3.575   4.063
+ 1823TIP3   OH261007  -0.264   3.717   3.854
+ 1823TIP3    H161008  -0.345   3.745   3.807
+ 1823TIP3    H261009  -0.234   3.639   3.803
+ 1823TIP3   OH261010   0.101   3.748   3.619
+ 1823TIP3    H161011   0.198   3.757   3.628
+ 1823TIP3    H261012   0.078   3.812   3.549
+ 1823TIP3   OH261013   0.714   3.461   4.280
+ 1823TIP3    H161014   0.682   3.495   4.365
+ 1823TIP3    H261015   0.638   3.470   4.221
+ 1823TIP3   OH261016  -0.057   3.878   3.398
+ 1823TIP3    H161017  -0.112   3.843   3.326
+ 1823TIP3    H261018   0.026   3.896   3.351
+ 1823TIP3   OH261019   0.366   3.830   4.184
+ 1823TIP3    H161020   0.446   3.803   4.136
+ 1823TIP3    H261021   0.373   3.778   4.265
+ 1823TIP3   OH261022  -0.087   3.491   3.784
+ 1823TIP3    H161023  -0.140   3.411   3.800
+ 1823TIP3    H261024  -0.006   3.454   3.747
+ 1823TIP3   OH261025   0.250   4.365   3.602
+ 1823TIP3    H161026   0.212   4.297   3.544
+ 1823TIP3    H261027   0.299   4.318   3.669
+ 1824TIP3   OH261028   0.710   3.618   3.356
+ 1824TIP3    H161029   0.611   3.614   3.355
+ 1824TIP3    H261030   0.729   3.688   3.422
+ 1824TIP3   OH261031   0.777   3.797   3.564
+ 1824TIP3    H161032   0.864   3.780   3.606
+ 1824TIP3    H261033   0.790   3.885   3.525
+ 1824TIP3   OH261034  -0.178   4.238   4.163
+ 1824TIP3    H161035  -0.117   4.238   4.086
+ 1824TIP3    H261036  -0.140   4.163   4.213
+ 1824TIP3   OH261037   1.237   3.796   3.537
+ 1824TIP3    H161038   1.180   3.778   3.460
+ 1824TIP3    H261039   1.249   3.892   3.525
+ 1824TIP3   OH261040   0.749   4.216   4.221
+ 1824TIP3    H161041   0.678   4.187   4.279
+ 1824TIP3    H261042   0.801   4.135   4.203
+ 1824TIP3   OH261043  -0.364   4.095   3.341
+ 1824TIP3    H161044  -0.305   4.155   3.391
+ 1824TIP3    H261045  -0.449   4.109   3.388
+ 1824TIP3   OH261046  -0.188  -4.386   3.524
+ 1824TIP3    H161047  -0.277  -4.351   3.544
+ 1824TIP3    H261048  -0.138  -4.305   3.509
+ 1824TIP3   OH261049   0.627   3.492   3.632
+ 1824TIP3    H161050   0.645   3.548   3.555
+ 1824TIP3    H261051   0.670   3.542   3.704
+ 1824TIP3   OH261052   0.366   3.695   3.727
+ 1824TIP3    H161053   0.444   3.751   3.745
+ 1824TIP3    H261054   0.335   3.673   3.817
+ 1824TIP3   OH261055   0.420   3.393   3.817
+ 1824TIP3    H161056   0.409   3.454   3.892
+ 1824TIP3    H261057   0.498   3.432   3.773
+ 1825TIP3   OH261058  -0.002   3.495   3.474
+ 1825TIP3    H161059   0.000   3.570   3.535
+ 1825TIP3    H261060   0.079   3.447   3.501
+ 1825TIP3   OH261061   0.878   3.969   4.131
+ 1825TIP3    H161062   0.797   3.921   4.108
+ 1825TIP3    H261063   0.934   3.897   4.169
+ 1825TIP3   OH261064  -0.347   3.801   3.292
+ 1825TIP3    H161065  -0.335   3.895   3.314
+ 1825TIP3    H261066  -0.436   3.800   3.255
+ 1825TIP3   OH261067  -0.260   3.302   4.172
+ 1825TIP3    H161068  -0.273   3.306   4.074
+ 1825TIP3    H261069  -0.292   3.214   4.194
+ 1825TIP3   OH261070   0.108   4.162   3.456
+ 1825TIP3    H161071   0.044   4.119   3.515
+ 1825TIP3    H261072   0.125   4.092   3.390
+ 1825TIP3   OH261073   0.193   3.957   3.284
+ 1825TIP3    H161074   0.191   3.971   3.188
+ 1825TIP3    H261075   0.289   3.955   3.302
+ 1825TIP3   OH261076   1.123   4.189   3.207
+ 1825TIP3    H161077   1.115   4.182   3.110
+ 1825TIP3    H261078   1.124   4.285   3.224
+ 1825TIP3   OH261079   1.205   4.359   3.643
+ 1825TIP3    H161080   1.301   4.359   3.634
+ 1825TIP3    H261081   1.186   4.279   3.694
+ 1825TIP3   OH261082   1.243   4.132   3.812
+ 1825TIP3    H161083   1.163   4.091   3.850
+ 1825TIP3    H261084   1.296   4.152   3.892
+ 1825TIP3   OH261085   1.260   4.095   3.461
+ 1825TIP3    H161086   1.196   4.117   3.391
+ 1825TIP3    H261087   1.244   4.166   3.524
+ 1826TIP3   OH261088   1.085   3.844   3.295
+ 1826TIP3    H161089   1.105   3.905   3.223
+ 1826TIP3    H261090   1.061   3.762   3.248
+ 1826TIP3   OH261091   1.013   3.966   3.885
+ 1826TIP3    H161092   1.011   3.870   3.873
+ 1826TIP3    H261093   0.979   3.976   3.976
+ 1826TIP3   OH261094  -0.495   4.130   4.267
+ 1826TIP3    H161095  -0.484   4.189   4.192
+ 1826TIP3    H261096  -0.418   4.152   4.323
+ 1826TIP3   OH261097   1.031   3.579   3.215
+ 1826TIP3    H161098   1.089   3.529   3.275
+ 1826TIP3    H261099   0.951   3.525   3.210
+ 1826TIP3   OH261100   1.013   3.707   3.709
+ 1826TIP3    H161101   1.036   3.612   3.717
+ 1826TIP3    H261102   1.095   3.742   3.669
+ 1826TIP3   OH261103   1.036   3.777   4.223
+ 1826TIP3    H161104   1.131   3.773   4.242
+ 1826TIP3    H261105   0.996   3.750   4.308
+ 1826TIP3   OH261106   1.059   3.427   3.707
+ 1826TIP3    H161107   1.068   3.396   3.798
+ 1826TIP3    H261108   0.979   3.379   3.678
+ 1826TIP3   OH261109  -0.416   3.558   4.191
+ 1826TIP3    H161110  -0.383   3.467   4.203
+ 1826TIP3    H261111  -0.362   3.605   4.256
+ 1826TIP3   OH261112  -0.578   3.844   4.302
+ 1826TIP3    H161113  -0.532   3.811   4.223
+ 1826TIP3    H261114  -0.551   3.939   4.300
+ 1826TIP3   OH261115   1.255   3.476   3.374
+ 1826TIP3    H161116   1.286   3.395   3.329
+ 1826TIP3    H261117   1.338   3.527   3.382
+ 1827TIP3   OH261118  -0.519   3.443   3.688
+ 1827TIP3    H161119  -0.615   3.455   3.674
+ 1827TIP3    H261120  -0.480   3.509   3.628
+ 1827TIP3   OH261121   0.471   3.439   4.124
+ 1827TIP3    H161122   0.412   3.367   4.153
+ 1827TIP3    H261123   0.541   3.389   4.077
+ 1827TIP3   OH261124   0.966   3.307   4.154
+ 1827TIP3    H161125   1.050   3.273   4.120
+ 1827TIP3    H261126   0.897   3.253   4.115
+ 1827TIP3   OH261127   1.183   3.340   3.958
+ 1827TIP3    H161128   1.258   3.305   3.905
+ 1827TIP3    H261129   1.209   3.432   3.974
+ 1827TIP3   OH261130  -0.292   3.300   3.890
+ 1827TIP3    H161131  -0.377   3.287   3.843
+ 1827TIP3    H261132  -0.247   3.216   3.873
+ 1827TIP3   OH261133  -0.411   3.251   3.477
+ 1827TIP3    H161134  -0.359   3.316   3.427
+ 1827TIP3    H261135  -0.449   3.305   3.547
+ 1827TIP3   OH261136   0.159   3.276   3.891
+ 1827TIP3    H161137   0.247   3.313   3.871
+ 1827TIP3    H261138   0.165   3.268   3.987
+ 1827TIP3   OH261139   0.693   3.293   3.998
+ 1827TIP3    H161140   0.741   3.267   3.919
+ 1827TIP3    H261141   0.673   3.207   4.041
+ 1827TIP3   OH261142   0.827   3.287   3.616
+ 1827TIP3    H161143   0.745   3.340   3.604
+ 1827TIP3    H261144   0.791   3.198   3.628
+ 1827TIP3   OH261145  -0.237   3.432   3.321
+ 1827TIP3    H161146  -0.176   3.376   3.270
+ 1827TIP3    H261147  -0.178   3.465   3.391
+ 1828TIP3   OH261148   0.270   3.450   3.584
+ 1828TIP3    H161149   0.310   3.395   3.654
+ 1828TIP3    H261150   0.290   3.538   3.619
+ 1828TIP3   OH261151   2.496   4.194   3.893
+ 1828TIP3    H161152   2.475   4.286   3.914
+ 1828TIP3    H261153   2.418   4.167   3.843
+ 1828TIP3   OH261154   2.359   4.120   4.251
+ 1828TIP3    H161155   2.379   4.047   4.311
+ 1828TIP3    H261156   2.369   4.082   4.163
+ 1828TIP3   OH261157   1.395   3.890   3.777
+ 1828TIP3    H161158   1.346   3.974   3.786
+ 1828TIP3    H261159   1.325   3.831   3.745
+ 1828TIP3   OH261160   1.488   4.131   3.975
+ 1828TIP3    H161161   1.487   4.055   4.035
+ 1828TIP3    H261162   1.564   4.108   3.920
+ 1828TIP3   OH261163   2.539   3.817   4.322
+ 1828TIP3    H161164   2.582   3.733   4.343
+ 1828TIP3    H261165   2.546   3.822   4.225
+ 1828TIP3   OH261166   1.851   3.603   4.042
+ 1828TIP3    H161167   1.867   3.688   3.997
+ 1828TIP3    H261168   1.819   3.551   3.966
+ 1828TIP3   OH261169   2.639   3.623   3.865
+ 1828TIP3    H161170   2.692   3.583   3.939
+ 1828TIP3    H261171   2.710   3.668   3.817
+ 1828TIP3   OH261172   1.549   3.871   4.098
+ 1828TIP3    H161173   1.590   3.807   4.158
+ 1828TIP3    H261174   1.550   3.822   4.014
+ 1828TIP3   OH261175   2.058   4.015   4.055
+ 1828TIP3    H161176   2.128   3.954   4.086
+ 1828TIP3    H261177   2.008   3.957   3.995
+ 1829TIP3   OH261178   2.814   3.566   4.066
+ 1829TIP3    H161179   2.813   3.476   4.106
+ 1829TIP3    H261180   2.865   3.613   4.134
+ 1829TIP3   OH261181   1.776   3.694   4.298
+ 1829TIP3    H161182   1.759   3.787   4.279
+ 1829TIP3    H261183   1.771   3.651   4.211
+ 1829TIP3   OH261184   2.147   3.241   4.177
+ 1829TIP3    H161185   2.142   3.144   4.183
+ 1829TIP3    H261186   2.064   3.267   4.222
+ 1829TIP3   OH261187   2.347   4.142   3.636
+ 1829TIP3    H161188   2.286   4.188   3.578
+ 1829TIP3    H261189   2.424   4.132   3.578
+ 1829TIP3   OH261190   2.390   3.942   3.355
+ 1829TIP3    H161191   2.462   3.978   3.408
+ 1829TIP3    H261192   2.439   3.893   3.288
+ 1829TIP3   OH261193   2.721   4.144   3.738
+ 1829TIP3    H161194   2.653   4.162   3.806
+ 1829TIP3    H261195   2.786   4.091   3.788
+ 1829TIP3   OH261196   1.860   4.207   3.936
+ 1829TIP3    H161197   1.845   4.179   3.844
+ 1829TIP3    H261198   1.943   4.162   3.957
+ 1829TIP3   OH261199   1.895   4.081   4.285
+ 1829TIP3    H161200   1.961   4.083   4.214
+ 1829TIP3    H261201   1.931   4.142   4.351
+ 1829TIP3   OH261202   2.602   4.073   3.501
+ 1829TIP3    H161203   2.658   4.101   3.578
+ 1829TIP3    H261204   2.649   4.119   3.427
+ 1829TIP3   OH261205   1.762   4.090   3.681
+ 1829TIP3    H161206   1.743   4.167   3.624
+ 1829TIP3    H261207   1.700   4.023   3.649
+ 1830TIP3   OH261208   1.903   3.330   4.290
+ 1830TIP3    H161209   1.819   3.322   4.242
+ 1830TIP3    H261210   1.910   3.425   4.308
+ 1830TIP3   OH261211   2.742   4.176   3.296
+ 1830TIP3    H161212   2.734   4.160   3.200
+ 1830TIP3    H261213   2.831   4.215   3.301
+ 1830TIP3   OH261214   2.330   3.551   3.346
+ 1830TIP3    H161215   2.276   3.545   3.426
+ 1830TIP3    H261216   2.282   3.490   3.288
+ 1830TIP3   OH261217   1.891   3.837   3.883
+ 1830TIP3    H161218   1.795   3.827   3.867
+ 1830TIP3    H261219   1.925   3.814   3.794
+ 1830TIP3   OH261220   2.450   3.899   3.764
+ 1830TIP3    H161221   2.405   3.975   3.724
+ 1830TIP3    H261222   2.517   3.878   3.697
+ 1830TIP3   OH261223   2.529   3.832   4.042
+ 1830TIP3    H161224   2.503   3.886   3.965
+ 1830TIP3    H261225   2.552   3.749   3.997
+ 1830TIP3   OH261226   1.972   3.603   3.235
+ 1830TIP3    H161227   1.934   3.567   3.318
+ 1830TIP3    H261228   1.893   3.616   3.182
+ 1830TIP3   OH261229   1.322   3.601   3.940
+ 1830TIP3    H161230   1.373   3.588   4.022
+ 1830TIP3    H261231   1.369   3.548   3.874
+ 1830TIP3   OH261232   1.474   3.633   3.514
+ 1830TIP3    H161233   1.527   3.682   3.448
+ 1830TIP3    H261234   1.403   3.698   3.531
+ 1830TIP3   OH261235   2.158   3.599   3.982
+ 1830TIP3    H161236   2.065   3.589   4.009
+ 1830TIP3    H261237   2.205   3.573   4.063
+ 1831TIP3   OH261238   1.625   3.719   3.852
+ 1831TIP3    H161239   1.541   3.743   3.809
+ 1831TIP3    H261240   1.651   3.639   3.803
+ 1831TIP3   OH261241   1.988   3.749   3.619
+ 1831TIP3    H161242   2.085   3.761   3.625
+ 1831TIP3    H261243   1.961   3.810   3.548
+ 1831TIP3   OH261244   2.599   3.459   4.282
+ 1831TIP3    H161245   2.566   3.496   4.365
+ 1831TIP3    H261246   2.525   3.469   4.221
+ 1831TIP3   OH261247   1.830   3.878   3.399
+ 1831TIP3    H161248   1.773   3.845   3.328
+ 1831TIP3    H261249   1.913   3.896   3.350
+ 1831TIP3   OH261250   2.254   3.833   4.187
+ 1831TIP3    H161251   2.330   3.802   4.136
+ 1831TIP3    H261252   2.257   3.775   4.264
+ 1831TIP3   OH261253   1.799   3.490   3.786
+ 1831TIP3    H161254   1.742   3.413   3.800
+ 1831TIP3    H261255   1.878   3.451   3.747
+ 1831TIP3   OH261256   2.148   4.369   3.591
+ 1831TIP3    H161257   2.094   4.303   3.543
+ 1831TIP3    H261258   2.171   4.324   3.673
+ 1831TIP3   OH261259   2.596   3.623   3.347
+ 1831TIP3    H161260   2.498   3.613   3.354
+ 1831TIP3    H261261   2.616   3.685   3.420
+ 1831TIP3   OH261262   2.663   3.795   3.563
+ 1831TIP3    H161263   2.750   3.780   3.607
+ 1831TIP3    H261264   2.674   3.885   3.526
+ 1831TIP3   OH261265   1.710   4.240   4.164
+ 1831TIP3    H161266   1.769   4.238   4.086
+ 1831TIP3    H261267   1.743   4.162   4.212
+ 1832TIP3   OH261268   3.122   3.796   3.535
+ 1832TIP3    H161269   3.063   3.783   3.457
+ 1832TIP3    H261270   3.137   3.892   3.526
+ 1832TIP3   OH261271   2.635   4.217   4.220
+ 1832TIP3    H161272   2.561   4.186   4.275
+ 1832TIP3    H261273   2.686   4.136   4.202
+ 1832TIP3   OH261274   1.522   4.095   3.343
+ 1832TIP3    H161275   1.581   4.155   3.392
+ 1832TIP3    H261276   1.437   4.110   3.389
+ 1832TIP3   OH261277   1.701  -4.386   3.528
+ 1832TIP3    H161278   1.609  -4.354   3.541
+ 1832TIP3    H261279   1.745  -4.303   3.503
+ 1832TIP3   OH261280   2.533   3.478   3.634
+ 1832TIP3    H161281   2.526   3.540   3.561
+ 1832TIP3    H261282   2.562   3.536   3.707
+ 1832TIP3   OH261283   2.258   3.691   3.727
+ 1832TIP3    H161284   2.331   3.753   3.747
+ 1832TIP3    H261285   2.223   3.671   3.816
+ 1832TIP3   OH261286   2.306   3.394   3.817
+ 1832TIP3    H161287   2.295   3.454   3.893
+ 1832TIP3    H261288   2.387   3.430   3.777
+ 1832TIP3   OH261289   1.883   3.495   3.474
+ 1832TIP3    H161290   1.885   3.570   3.536
+ 1832TIP3    H261291   1.964   3.446   3.501
+ 1832TIP3   OH261292   2.762   3.971   4.133
+ 1832TIP3    H161293   2.683   3.921   4.107
+ 1832TIP3    H261294   2.820   3.900   4.170
+ 1832TIP3   OH261295   1.537   3.800   3.296
+ 1832TIP3    H161296   1.549   3.895   3.313
+ 1832TIP3    H261297   1.452   3.799   3.249
+ 1833TIP3   OH261298   1.628   3.300   4.171
+ 1833TIP3    H161299   1.612   3.304   4.075
+ 1833TIP3    H261300   1.592   3.214   4.195
+ 1833TIP3   OH261301   1.998   4.161   3.466
+ 1833TIP3    H161302   1.928   4.119   3.516
+ 1833TIP3    H261303   2.012   4.098   3.393
+ 1833TIP3   OH261304   2.078   3.958   3.284
+ 1833TIP3    H161305   2.075   3.971   3.187
+ 1833TIP3    H261306   2.174   3.957   3.300
+ 1833TIP3   OH261307   3.009   4.189   3.207
+ 1833TIP3    H161308   2.997   4.183   3.111
+ 1833TIP3    H261309   3.014   4.285   3.224
+ 1833TIP3   OH261310   3.081   4.365   3.646
+ 1833TIP3    H161311   3.177   4.370   3.635
+ 1833TIP3    H261312   3.068   4.283   3.695
+ 1833TIP3   OH261313   3.128   4.133   3.812
+ 1833TIP3    H161314   3.049   4.091   3.851
+ 1833TIP3    H261315   3.183   4.150   3.891
+ 1833TIP3   OH261316   3.145   4.093   3.461
+ 1833TIP3    H161317   3.082   4.117   3.391
+ 1833TIP3    H261318   3.131   4.165   3.524
+ 1833TIP3   OH261319   2.972   3.842   3.295
+ 1833TIP3    H161320   2.991   3.908   3.226
+ 1833TIP3    H261321   2.949   3.763   3.243
+ 1833TIP3   OH261322   2.898   3.966   3.885
+ 1833TIP3    H161323   2.897   3.869   3.874
+ 1833TIP3    H261324   2.865   3.975   3.976
+ 1833TIP3   OH261325   1.390   4.133   4.267
+ 1833TIP3    H161326   1.406   4.189   4.190
+ 1833TIP3    H261327   1.465   4.152   4.324
+ 1834TIP3   OH261328   2.921   3.575   3.216
+ 1834TIP3    H161329   2.973   3.527   3.283
+ 1834TIP3    H261330   2.836   3.529   3.218
+ 1834TIP3   OH261331   2.898   3.706   3.709
+ 1834TIP3    H161332   2.921   3.611   3.718
+ 1834TIP3    H261333   2.980   3.740   3.670
+ 1834TIP3   OH261334   2.922   3.778   4.222
+ 1834TIP3    H161335   3.018   3.773   4.241
+ 1834TIP3    H261336   2.884   3.743   4.305
+ 1834TIP3   OH261337   2.953   3.428   3.708
+ 1834TIP3    H161338   2.947   3.395   3.800
+ 1834TIP3    H261339   2.880   3.379   3.664
+ 1834TIP3   OH261340   1.471   3.559   4.191
+ 1834TIP3    H161341   1.498   3.467   4.204
+ 1834TIP3    H261342   1.525   3.603   4.258
+ 1834TIP3   OH261343   1.310   3.844   4.303
+ 1834TIP3    H161344   1.353   3.810   4.222
+ 1834TIP3    H261345   1.336   3.938   4.299
+ 1834TIP3   OH261346   3.123   3.455   3.376
+ 1834TIP3    H161347   3.168   3.385   3.327
+ 1834TIP3    H261348   3.195   3.517   3.395
+ 1834TIP3   OH261349   1.366   3.447   3.693
+ 1834TIP3    H161350   1.271   3.453   3.673
+ 1834TIP3    H261351   1.406   3.508   3.629
+ 1834TIP3   OH261352   2.356   3.439   4.124
+ 1834TIP3    H161353   2.297   3.367   4.153
+ 1834TIP3    H261354   2.426   3.389   4.077
+ 1834TIP3   OH261355   2.853   3.314   4.145
+ 1834TIP3    H161356   2.936   3.267   4.133
+ 1834TIP3    H261357   2.784   3.249   4.130
+ 1835TIP3   OH261358   3.073   3.337   3.955
+ 1835TIP3    H161359   3.147   3.311   3.899
+ 1835TIP3    H261360   3.093   3.430   3.976
+ 1835TIP3   OH261361   1.595   3.301   3.888
+ 1835TIP3    H161362   1.509   3.287   3.843
+ 1835TIP3    H261363   1.638   3.215   3.873
+ 1835TIP3   OH261364   1.477   3.250   3.478
+ 1835TIP3    H161365   1.527   3.316   3.426
+ 1835TIP3    H261366   1.436   3.304   3.546
+ 1835TIP3   OH261367   2.046   3.277   3.890
+ 1835TIP3    H161368   2.135   3.312   3.873
+ 1835TIP3    H261369   2.047   3.269   3.986
+ 1835TIP3   OH261370   2.574   3.293   3.999
+ 1835TIP3    H161371   2.625   3.264   3.922
+ 1835TIP3    H261372   2.557   3.209   4.045
+ 1835TIP3   OH261373   2.739   3.291   3.590
+ 1835TIP3    H161374   2.660   3.348   3.592
+ 1835TIP3    H261375   2.702   3.207   3.620
+ 1835TIP3   OH261376   1.647   3.432   3.321
+ 1835TIP3    H161377   1.708   3.376   3.269
+ 1835TIP3    H261378   1.707   3.465   3.391
+ 1835TIP3   OH261379   2.160   3.451   3.581
+ 1835TIP3    H161380   2.194   3.395   3.654
+ 1835TIP3    H261381   2.174   3.538   3.621
+ 1835TIP3   OH261382   4.195   4.102   4.243
+ 1835TIP3    H161383   4.273   4.115   4.299
+ 1835TIP3    H261384   4.236   4.087   4.157
+ 1835TIP3   OH261385   3.281   3.889   3.774
+ 1835TIP3    H161386   3.235   3.974   3.787
+ 1835TIP3    H261387   3.208   3.831   3.748
+ 1836TIP3   OH261388   3.371   4.129   3.974
+ 1836TIP3    H161389   3.373   4.053   4.036
+ 1836TIP3    H261390   3.452   4.111   3.924
+ 1836TIP3   OH261391   3.735   3.604   4.041
+ 1836TIP3    H161392   3.756   3.689   3.999
+ 1836TIP3    H261393   3.700   3.554   3.966
+ 1836TIP3   OH261394   3.433   3.871   4.098
+ 1836TIP3    H161395   3.477   3.811   4.159
+ 1836TIP3    H261396   3.436   3.820   4.015
+ 1836TIP3   OH261397   3.942   4.014   4.056
+ 1836TIP3    H161398   4.016   3.956   4.085
+ 1836TIP3    H261399   3.894   3.952   3.997
+ 1836TIP3   OH261400   3.659   3.694   4.299
+ 1836TIP3    H161401   3.650   3.787   4.278
+ 1836TIP3    H261402   3.659   3.650   4.212
+ 1836TIP3   OH261403   4.031   3.239   4.165
+ 1836TIP3    H161404   4.028   3.144   4.186
+ 1836TIP3    H261405   3.956   3.272   4.219
+ 1836TIP3   OH261406   4.268   4.125   3.630
+ 1836TIP3    H161407   4.200   4.190   3.606
+ 1836TIP3    H261408   4.332   4.141   3.561
+ 1836TIP3   OH261409   4.285   3.941   3.364
+ 1836TIP3    H161410   4.373   3.970   3.393
+ 1836TIP3    H261411   4.300   3.913   3.273
+ 1836TIP3   OH261412   3.743   4.204   3.937
+ 1836TIP3    H161413   3.735   4.179   3.844
+ 1836TIP3    H261414   3.829   4.165   3.961
+ 1836TIP3   OH261415   3.784   4.082   4.287
+ 1836TIP3    H161416   3.850   4.080   4.215
+ 1836TIP3    H261417   3.822   4.145   4.350
+ 1837TIP3   OH261418   3.650   4.087   3.677
+ 1837TIP3    H161419   3.631   4.166   3.622
+ 1837TIP3    H261420   3.580   4.025   3.650
+ 1837TIP3   OH261421   3.789   3.330   4.292
+ 1837TIP3    H161422   3.705   3.323   4.244
+ 1837TIP3    H261423   3.797   3.425   4.310
+ 1837TIP3   OH261424   4.216   3.551   3.326
+ 1837TIP3    H161425   4.171   3.552   3.411
+ 1837TIP3    H261426   4.189   3.467   3.288
+ 1837TIP3   OH261427   3.775   3.835   3.884
+ 1837TIP3    H161428   3.680   3.827   3.867
+ 1837TIP3    H261429   3.810   3.816   3.795
+ 1837TIP3   OH261430   4.271   3.887   3.833
+ 1837TIP3    H161431   4.266   3.980   3.803
+ 1837TIP3    H261432   4.364   3.875   3.855
+ 1837TIP3   OH261433   3.872   3.566   3.227
+ 1837TIP3    H161434   3.834   3.556   3.316
+ 1837TIP3    H261435   3.809   3.624   3.184
+ 1837TIP3   OH261436   3.208   3.601   3.940
+ 1837TIP3    H161437   3.258   3.591   4.023
+ 1837TIP3    H261438   3.257   3.546   3.876
+ 1837TIP3   OH261439   3.352   3.628   3.508
+ 1837TIP3    H161440   3.408   3.677   3.445
+ 1837TIP3    H261441   3.286   3.697   3.531
+ 1837TIP3   OH261442   4.041   3.579   3.983
+ 1837TIP3    H161443   3.951   3.585   4.018
+ 1837TIP3    H261444   4.092   3.582   4.066
+ 1837TIP3   OH261445   3.511   3.717   3.851
+ 1837TIP3    H161446   3.426   3.743   3.810
+ 1837TIP3    H261447   3.536   3.637   3.801
+ 1838TIP3   OH261448   3.876   3.744   3.615
+ 1838TIP3    H161449   3.970   3.762   3.628
+ 1838TIP3    H261450   3.848   3.809   3.549
+ 1838TIP3   OH261451   3.720   3.866   3.392
+ 1838TIP3    H161452   3.668   3.848   3.312
+ 1838TIP3    H261453   3.803   3.898   3.352
+ 1838TIP3   OH261454   4.122   3.815   4.149
+ 1838TIP3    H161455   4.199   3.786   4.099
+ 1838TIP3    H261456   4.150   3.796   4.240
+ 1838TIP3   OH261457   3.681   3.487   3.772
+ 1838TIP3    H161458   3.629   3.411   3.801
+ 1838TIP3    H261459   3.770   3.449   3.762
+ 1838TIP3   OH261460   4.068   4.333   3.593
+ 1838TIP3    H161461   3.993   4.291   3.545
+ 1838TIP3    H261462   4.043   4.321   3.685
+ 1838TIP3   OH261463   3.595   4.236   4.165
+ 1838TIP3    H161464   3.655   4.237   4.088
+ 1838TIP3    H261465   3.630   4.160   4.214
+ 1838TIP3   OH261466   3.409   4.093   3.343
+ 1838TIP3    H161467   3.468   4.154   3.390
+ 1838TIP3    H261468   3.324   4.110   3.388
+ 1838TIP3   OH261469   3.583  -4.386   3.529
+ 1838TIP3    H161470   3.493  -4.351   3.543
+ 1838TIP3    H261471   3.631  -4.306   3.501
+ 1838TIP3   OH261472   4.141   3.678   3.723
+ 1838TIP3    H161473   4.200   3.750   3.756
+ 1838TIP3    H261474   4.103   3.652   3.809
+ 1838TIP3   OH261475   4.184   3.395   3.829
+ 1838TIP3    H161476   4.162   3.460   3.900
+ 1838TIP3    H261477   4.274   3.424   3.807
+ 1839TIP3   OH261478   3.779   3.490   3.473
+ 1839TIP3    H161479   3.754   3.566   3.529
+ 1839TIP3    H261480   3.863   3.466   3.517
+ 1839TIP3   OH261481   3.422   3.799   3.291
+ 1839TIP3    H161482   3.438   3.893   3.312
+ 1839TIP3    H261483   3.333   3.801   3.253
+ 1839TIP3   OH261484   3.513   3.300   4.171
+ 1839TIP3    H161485   3.494   3.302   4.075
+ 1839TIP3    H261486   3.479   3.214   4.199
+ 1839TIP3   OH261487   3.873   4.165   3.462
+ 1839TIP3    H161488   3.815   4.112   3.518
+ 1839TIP3    H261489   3.903   4.101   3.395
+ 1839TIP3   OH261490   3.977   3.955   3.295
+ 1839TIP3    H161491   3.976   3.961   3.198
+ 1839TIP3    H261492   4.073   3.962   3.312
+ 1839TIP3   OH261493   3.274   4.135   4.268
+ 1839TIP3    H161494   3.292   4.189   4.190
+ 1839TIP3    H261495   3.352   4.151   4.324
+ 1839TIP3   OH261496   3.358   3.560   4.189
+ 1839TIP3    H161497   3.384   3.468   4.205
+ 1839TIP3    H261498   3.410   3.604   4.258
+ 1839TIP3   OH261499   3.194   3.845   4.302
+ 1839TIP3    H161500   3.240   3.809   4.225
+ 1839TIP3    H261501   3.223   3.938   4.300
+ 1839TIP3   OH261502   3.250   3.439   3.688
+ 1839TIP3    H161503   3.154   3.451   3.677
+ 1839TIP3    H261504   3.288   3.507   3.630
+ 1839TIP3   OH261505   4.261   3.419   4.117
+ 1839TIP3    H161506   4.197   3.365   4.165
+ 1839TIP3    H261507   4.311   3.352   4.071
+ 1840TIP3   OH261508   3.478   3.300   3.885
+ 1840TIP3    H161509   3.394   3.284   3.839
+ 1840TIP3    H261510   3.522   3.214   3.875
+ 1840TIP3   OH261511   3.349   3.253   3.472
+ 1840TIP3    H161512   3.409   3.315   3.425
+ 1840TIP3    H261513   3.322   3.306   3.549
+ 1840TIP3   OH261514   3.931   3.279   3.887
+ 1840TIP3    H161515   4.020   3.316   3.872
+ 1840TIP3    H261516   3.933   3.270   3.984
+ 1840TIP3   OH261517   3.532   3.431   3.317
+ 1840TIP3    H161518   3.597   3.380   3.266
+ 1840TIP3    H261519   3.587   3.471   3.385
+ 1840TIP3   OH261520   4.038   3.438   3.575
+ 1840TIP3    H161521   4.069   3.384   3.651
+ 1840TIP3    H261522   4.053   3.527   3.611
+    1SOD    SOD61523   2.036   2.654   0.153
+    2SOD    SOD61524   2.949   2.006  -1.899
+    3SOD    SOD61525  -2.822  -1.822  -1.680
+    4SOD    SOD61526   0.397   4.315   0.206
+    5SOD    SOD61527   1.016  -1.430  -1.921
+    6SOD    SOD61528  -2.856  -1.053  -0.754
+    7SOD    SOD61529   0.094   0.370   4.192
+    8SOD    SOD61530   2.908  -2.105  -2.933
+    9SOD    SOD61531  -0.146  -3.133  -1.846
+   10SOD    SOD61532   1.534  -0.498   1.891
+   11SOD    SOD61533  -1.598  -2.489   1.463
+   12SOD    SOD61534  -2.935  -1.085  -2.828
+   13SOD    SOD61535   3.512  -1.722   1.006
+   14SOD    SOD61536  -1.885  -3.724   1.031
+   15SOD    SOD61537  -2.225   0.340   2.026
+   16SOD    SOD61538   3.269   0.747  -0.948
+   17SOD    SOD61539   3.158  -0.951   1.851
+   18SOD    SOD61540   1.889   0.873  -1.924
+   19SOD    SOD61541  -0.558  -0.850   3.619
+   20SOD    SOD61542   0.858   1.305  -2.635
+   21SOD    SOD61543  -3.209   3.370   1.664
+   22SOD    SOD61544  -0.422   2.515  -4.272
+   23SOD    SOD61545  -1.879   4.014   0.409
+   24SOD    SOD61546  -3.358  -2.245  -3.811
+   25SOD    SOD61547  -3.299  -0.324   1.475
+   26SOD    SOD61548  -0.952  -2.303  -1.771
+   27SOD    SOD61549   2.911  -1.052  -2.758
+   28SOD    SOD61550  -0.267  -3.306   4.262
+   29SOD    SOD61551   0.918   3.695  -1.899
+   30SOD    SOD61552  -4.299  -0.431  -2.667
+   31SOD    SOD61553  -0.718   1.652   2.890
+   32SOD    SOD61554  -0.020  -2.170   0.131
+   33SOD    SOD61555   3.200   0.124   2.221
+   34SOD    SOD61556   3.427   1.930  -0.342
+   35SOD    SOD61557   2.597   1.086   2.528
+   36SOD    SOD61558   3.870   0.669   4.127
+   37SOD    SOD61559  -4.168  -3.429  -1.413
+   38SOD    SOD61560   0.551  -2.355  -0.171
+   39SOD    SOD61561  -2.804   0.774   1.028
+   40SOD    SOD61562   2.839  -3.487   3.061
+   41SOD    SOD61563   0.475  -2.268   1.454
+   42SOD    SOD61564  -0.047   2.795  -1.594
+   43SOD    SOD61565  -3.119   1.785  -0.175
+   44SOD    SOD61566   3.692   3.565   2.568
+   45SOD    SOD61567   1.160  -2.677   0.405
+   46SOD    SOD61568   2.182   2.098  -4.358
+   47SOD    SOD61569   2.499  -3.552   3.622
+   48SOD    SOD61570  -3.150   2.637   2.545
+   49SOD    SOD61571  -3.611  -1.369  -0.304
+   50SOD    SOD61572   3.179   4.217  -1.914
+   51SOD    SOD61573  -1.544   3.385   3.985
+   52SOD    SOD61574   3.906   3.226   3.286
+   53SOD    SOD61575  -1.400   1.258  -2.542
+   54SOD    SOD61576   0.624   4.043   2.421
+   55SOD    SOD61577  -0.572  -3.952   2.807
+   56SOD    SOD61578  -2.287   2.496  -1.486
+   57SOD    SOD61579  -4.296  -1.353   4.117
+   58SOD    SOD61580   4.009   2.333  -1.543
+   59SOD    SOD61581   3.981   3.781  -3.393
+   60SOD    SOD61582  -2.801  -0.902   2.131
+   61SOD    SOD61583   0.054   2.141  -3.123
+   62SOD    SOD61584   1.742  -1.695  -3.684
+   63SOD    SOD61585  -1.328   3.677   3.172
+   64SOD    SOD61586   2.023  -1.550   1.871
+   65SOD    SOD61587  -3.781   1.811   2.706
+   66SOD    SOD61588  -1.564   0.724   2.624
+   67SOD    SOD61589  -1.457  -1.438   1.916
+   68SOD    SOD61590   3.938  -1.495  -0.104
+   69SOD    SOD61591  -4.177   0.685  -3.156
+   70SOD    SOD61592  -3.475  -2.557   3.364
+   71SOD    SOD61593   3.843  -1.704   1.945
+   72SOD    SOD61594  -3.065   1.131  -3.142
+   73SOD    SOD61595   2.911   3.091   3.254
+   74SOD    SOD61596  -0.146  -3.447  -3.468
+   75SOD    SOD61597   4.142   1.150   2.128
+    1CLA    CLA61598   3.723   3.931  -0.432
+    2CLA    CLA61599   0.598  -3.410  -1.411
+    3CLA    CLA61600   0.305  -4.033   0.027
+    4CLA    CLA61601  -2.918  -1.991  -2.129
+    5CLA    CLA61602   3.212   2.681  -1.461
+    6CLA    CLA61603  -1.276   3.890   3.970
+    7CLA    CLA61604  -4.135  -0.631  -2.109
+    8CLA    CLA61605  -4.010   1.992   2.188
+    9CLA    CLA61606  -3.787  -1.064  -2.665
+   10CLA    CLA61607  -2.251   4.155   1.278
+   11CLA    CLA61608   3.522   3.373  -3.509
+   12CLA    CLA61609  -4.010   0.565  -0.240
+   13CLA    CLA61610   3.902  -1.240  -4.037
+   14CLA    CLA61611   1.826  -3.945   2.374
+   15CLA    CLA61612   0.618   4.143  -3.510
+   16CLA    CLA61613   2.436   1.511   3.939
+   17CLA    CLA61614   0.689   2.163  -1.864
+   18CLA    CLA61615   2.174   0.614   3.695
+   19CLA    CLA61616   3.731  -0.836   3.639
+   20CLA    CLA61617  -0.300  -2.083   2.310
+   21CLA    CLA61618   0.286   1.863  -2.782
+   22CLA    CLA61619   0.444  -1.592   4.280
+   23CLA    CLA61620  -3.682  -0.965   2.751
+   24CLA    CLA61621   3.059  -2.653  -1.385
+   25CLA    CLA61622   0.268   1.480   3.096
+   26CLA    CLA61623   2.985  -1.145  -1.289
+   27CLA    CLA61624   4.257  -1.638   3.915
+   28CLA    CLA61625   2.109   2.268   2.707
+   29CLA    CLA61626   3.148   2.184  -0.946
+   30CLA    CLA61627  -4.279   3.311  -4.200
+   31CLA    CLA61628   4.121   2.646   2.804
+   32CLA    CLA61629   3.133  -2.321   3.087
+   33CLA    CLA61630  -1.188   2.475   1.768
+   34CLA    CLA61631   4.251   4.197   2.967
+   35CLA    CLA61632  -2.115  -2.591   4.099
+   36CLA    CLA61633  -1.664   3.340  -2.049
+   37CLA    CLA61634   2.401   1.685   0.376
+   38CLA    CLA61635  -0.304  -2.623  -0.695
+   39CLA    CLA61636  -2.524  -2.953  -1.453
+   40CLA    CLA61637   3.494  -2.888  -3.669
+   41CLA    CLA61638  -3.591  -0.671   0.327
+   42CLA    CLA61639  -3.097   0.461  -3.295
+   43CLA    CLA61640  -0.581   1.524   4.242
+   44CLA    CLA61641   3.940   1.881  -1.383
+   45CLA    CLA61642  -1.581   2.921  -3.738
+   46CLA    CLA61643   0.009  -3.649  -3.486
+   47CLA    CLA61644  -1.288  -4.010   3.837
+   48CLA    CLA61645  -2.419   1.919   3.696
+   49CLA    CLA61646   1.622  -1.819  -2.941
+   50CLA    CLA61647   3.465  -0.771  -3.287
+   51CLA    CLA61648  -2.032  -3.900   0.685
+   52CLA    CLA61649  -2.845   0.061  -2.584
+   0.00000   0.00000   0.00000
diff -r 49dac57d004a -r 36babbdd7818 test-data/test.xtc
Binary file test-data/test.xtc has changed