diff test-data/complex.prmtop @ 0:79c856227ff1 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6"
author chemteam
date Tue, 30 Nov 2021 10:00:44 +0000
parents
children
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/complex.prmtop	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,19476 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 10/09/09  16:22:47                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+                                                                                
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+    3941      15    1991    1991    4536    2694    8432    6711       0       0
+   21774     241    1991    2694    6711      59     119      51      42       0
+       0       0       0       0       0       0       0       0      61       0
+       0
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
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+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
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+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
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+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
+  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.40100000E+01
+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.60000000E+01  1.60000000E+01  1.20100000E+01  1.60000000E+01  1.40100000E+01
+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  3.20600000E+01
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01
+  1.40100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.60000000E+01
+  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
+  1.20100000E+01  1.60000000E+01  1.40100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.40100000E+01  1.20100000E+01  1.00800000E+00  1.40100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.60000000E+01
+  1.60000000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.20100000E+01  1.20100000E+01  3.20600000E+01  1.20100000E+01
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.20100000E+01  1.20100000E+01  1.60000000E+01  1.20100000E+01  1.20100000E+01
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
+  1.40100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.00800000E+00
+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
+       1       2       2       2       3       4       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       8       3       5       5
+       5       9      10       6       7       1       2       3       8       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       6       7       7       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       1
+       2       2       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       8       8       9      10       6       7       1       2
+       3       8       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       6       7       7       6       7       1       2
+       3       8       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       7       6       7       1       3       8       8       3       5       5
+       3       5       5       3       8       6       7       1       3       8
+       8       3       5       5       3       5       5       3       8       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       6       6      12       6
+      12       6       9      10       6      12       6      12       6       7
+       1       2       3       8       3       8       8       9      10       6
+       7       1       2       3       8       3       5       5       3       5
+       5       6       7       7       6       7       1       2       3       8
+       3       5       5       6       6      12       6      12       6       9
+      10       6      12       6      12       6       7       1       2       3
+       8       3       5       5       6       7       7       6       7       1
+       3       8       8       3       5       5       3       5       5       3
+       8       6       7       1       2       3       8       3       8       3
+       5       5       5       9      10       6       7       1       2       3
+       8       3       5       5       3       5       5       3       8       8
+       1       2       6       1       2       2       1       2       2       6
+       7       1       3       8       8       3       5       5       3       5
+       5       3       8       6       7       1       2       3       8       3
+       5       5       6       6      12       6      12       6      12       6
+      12       6      12       6       7       1       2       3       8       3
+       8       8       9      10       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       5       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       5       5       3
+       8       8      11       3       8       8       8       6       7       1
+       2       3       8       3       5       5       3       8       8      11
+       3       8       8       8       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       8       3       5       5
+       5       9      10       6       7       1       2       3       8       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       5       6       7       1       2
+       3       8       3       5       5       6       7       7       6       7
+       1       2       3       8       3       5       5       3       5       5
+       3       8       8       1       2       6       1       2       2       1
+       2       2       6       7       1       2       3       8       3       5
+       5       3       5       5       6       7       7       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       1       6      13       1       2       6      14       6
+       7       1       2       3       8       3       5       5       3       8
+       8      11       3       8       8       8       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       6       7       1       2       2       6
+       7       1       2       3       8       3       5       5       6       6
+      14       1       2       6       6      12       6      12       6      12
+       6      12       6       6       7       1       2       3       8       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       5       5       3       5       5       3       8       8
+       1       2       6       1       2       2       1       2       2       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       3       8
+       8       3       5       5       3       5       5       3       8       6
+       7       1       2       3       8       8       6       7       1       2
+       3       8       3       5       5       6       6      12       6      12
+       6      12       6      12       6      12       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       7       7       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       8       3       5       5       5       9      10       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       6       1       6      13       1
+       2       6      14       6       7       1       2       3       8       3
+       5       5       6       7       7       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       1
+       2       2       6       7       1       2       3       8       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       6       1       6
+      13       1       2       6      14       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       6       7       7       6       7
+       1       2       3       8       3       8       8      11       2       6
+       7       1       2       3       8       3       5       5       5       6
+       7       1       2       3       8       3       5       5       6       6
+      14       1       2       6       6      12       6      12       6      12
+       6      12       6       6       7       1       2       3       8       3
+       5       5       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       3       5       5       6       7       7       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       3       5       5       5       3       5       5       3       5       5
+       5       6       7       1       2       3       8       8       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       6       6      14       1       2       6       6      12
+       6      12       6      12       6      12       6       6       7       1
+       2       3       8       3       5       5       3       5       5       3
+       8       8       1       2       6       1       2       2       1       2
+       2       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       5       3       5
+       5       6       7       7       6       7       1       2       3       8
+       3       5       5       6       1       6      13       1       2       6
+      14       6       7       1       3       8       8       3       5       5
+       3       5       5       3       8       6       7       1       2       3
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       3       5       5       3       4       4
+       1       2       2       2       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       6      12       6      12       6      12       6      12
+       6      12       6       7       1       2       3       8       3       5
+       5       5       6       7       1       3       8       8       3       5
+       5       3       5       5       3       8       6       7       1       2
+       3       8       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       3       5
+       5       3       8       8       1       2       6       1       2       2
+       1       2       2       6       7       1       2       3       8       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       1       2       2       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       5       3       5       5       3       4       4       1
+       2       2       2       6       7       1       2       3       8       3
+       8       8      11       2       6       7       1       2       3       8
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       7       6       7       1       2       3
+       8       8       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       3       5
+       5       5       3       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       6       6
+      12       6      12       6      12       6      12       6      12       6
+       7       1       2       3       8       3       5       5       6       7
+       7       6       7       1       2       3       8       3       5       5
+       3       8       8      11       3       8       8       8       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       5       6       7       1       2
+       3       8       3       8       3       5       5       5       9      10
+       6       7       1       2       3       8       3       8       8       9
+      10       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       3       5       5       3       8       8       1       2       6
+       1       2       2       1       2       2       6       7       1       2
+       3       8       3       5       5       6       6      12       6      12
+       6      12       6      12       6      12       6       7       1       2
+       3       8       3       5       5       3       5       5       3       8
+       8       1       2       6       1       2       2       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       8       8      11       3       8       8       8       6       7       1
+       2       3       8       3       5       5       3       8       8      11
+       3       8       8       8       6       7       1       2       3       8
+       3       5       5       6       7       1       2       2       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       1       2       2       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       5       6       7       7       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       7       6       7       1       2       3       8       3       5       5
+       6       6      12       6      12       6      12       6      12       6
+      12       6       7       1       2       3       8       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       8       8      11       2       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       3
+       5       5       3       4       4       1       2       2       2       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       5       3       5
+       5       5       3       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       8       8       9
+      10       6       7       1       2       3       8       8       6       7
+       1       2       3       8       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       6       6      12       6      12       6       9
+      10       6      12       6      12       6       7       1       2       3
+       8       3       8       3       5       5       5       9      10       6
+       7       1       2       3       8       3       5       5       6       6
+      12       6      12       6      12       6      12       6      12       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       8       8       9      10       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       8       3       5
+       5       5       9      10       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       8       8       9      10       6       7       1       2
+       3       8       3       5       5       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       7       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       6       1
+       6      13       1       2       6      14       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       6       1       6      13       1       2
+       6      14       6       7       1       2       3       8       3       5
+       5       3       5       5       3       8       8       1       2       6
+       1       2       2       1       2       2       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       3       5       3       5       5       5       3       5       5
+       5       6       7       1       2       3       8       3       5       5
+       6       7       7       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       5       3       5       5       5       3       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       8       3       5       5       5       9      10       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       8       3       5
+       5       5       9      10       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       3       5       5       5       3       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       1       6      13       1       2       6      14       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       8       8
+      11       3       8       8       8       6       7       1       2       3
+       8       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       5       6       7       1
+       2       3       8       8       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       8       3       5       5       5       9      10       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       1       2       2       6       7       1       2       3       8       3
+       5       5       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       5
+       3       5       5       3       8       8       1       2       6       1
+       2       2       1       2       2       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       5
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       3       5       5       5
+       3       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       8       8       9      10       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       3       5       5       5       3       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       8       8       1       2
+       6       1       2       2       1       2       2       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       8       8      11       3       8       8
+       8       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       6       7       1       2       2       6       7       1       2
+       3       8       3       5       5       3       5       5       3       5
+       5       3       4       4       1       2       2       2       6       7
+       1       2       3       8       8       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       6       7       7       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       6       6      12       6      12       6       9      10
+       6      12       6      12       6       7       1       2       3       8
+       3       8       8       9      10       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       3       5       5       3       4       4
+       1       2       2       2       6       7       1       2       3       8
+       3       8       8      11       2       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       5       6       7       1       3       8       8       3
+       5       5       3       5       5       3       8       6       7       1
+       2       3       8       3       5       5       6       6      12       6
+      12       6       9      10       6      12       6      12       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       7       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       5
+       6       7       1       2       3       8       3       5       5       6
+       1       6      13       1       2       6      14       6       7       7
+       9      10       6       6       6      12      12       6      12       6
+      12       6       6      11       6       6      12       6       9      10
+       6      12       6      12       6       6       6       7       6       6
+       6      12      12       6      12       6      12       6      15       3
+       8       8       3       8       8       1       3       8       8       3
+       5       5       3       5       5       3       5       5       3       8
+       8
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+      12       6       5       4      10       7       6       3       2       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      14       7      10       7       6       3       2
+       1       2       1       7       3      10       4      10       7       6
+       3       2       1       7       3      10       4      12       7       8
+       5       4       3       1       1       7       3      10       4      13
+       7      11       6       5       8       4       3       4       3       2
+       1       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1       7       3      10       4      11
+       7       7       4       3       2       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      12       7
+       8       5       4       3       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      13       7      11       6       5       6       4       3       2       1
+       1      10       3      14      11       6       5       8       5       4
+       7       4       3       6       3      10       3      14      11       6
+       5       8       5       4       7       4       3       6       3       7
+       3      10       4      16       7      15       9       8       3       2
+       1       7       5       4       3       2       1       1       7       3
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+       4      12       7      12       5       4      10       8       4       7
+       3       6       4       1       3       2       1       1       7       3
+      10       4      11       7       7       4       3       2       1       7
+       3      10       4      13       7      11       6       5       6       4
+       3       2       1       1       7       3      10       4      12       7
+      12       5       4      10       8       4       7       3       6       4
+       1       3       2       1       1       7       3      10       4      12
+       7       8       5       4       3       1       1      10       3      14
+      11       6       5       8       5       4       7       4       3       6
+       3       7       3      10       4      14       7      10       7       6
+       3       2       1       2       1       7       3      10       4      13
+       7      12       6       5       9       5       4       7       4       3
+       8       3       6       5       2       1       2       1       1      10
+       3      14      11       6       5       8       5       4       7       4
+       3       6       3       7       3      10       4      12       7      12
+       5       4      10       8       4       6       3       5       3       3
+       2       1       1       7       3      10       4      11       7       7
+       4       3       2       1       7       3      10       4      13       7
+      11       6       5       6       4       3       2       1       1       7
+       3      10       4      10       7       6       3       2       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      13       7      10       6       5       8
+       3       2       4       3       2       1       1       7       3      10
+       4      13       7      10       6       5       8       3       2       4
+       3       2       1       1       7       3       7       4       7       4
+       3       7       3      10       4      13       7      15       6       5
+      10       8       7       3       2       1       3       2       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      14       7      10       7       6       3       2
+       1       2       1       7       3      10       4      12       7      10
+       5       4       5       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      12       7       8       5       4       3       1       1       7       3
+      10       4      13       7      12       6       5       9       5       4
+       7       4       3       8       3       6       5       2       1       2
+       1       1       7       3      10       4      13       7      11       6
+       5       6       4       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      16       7      12       9       8       3       2       1       4       2
+       1       1       7       3      10       4      12       7      11       5
+       4       8       6       5       3       3       2       1       1       7
+       3      10       4      13       7      10       6       5       8       3
+       2       4       3       2       1       1       7       3      10       4
+      16       7      15       9       8       3       2       1       7       5
+       4       3       2       1       1       7       3      10       4      12
+       7      10       5       4       5       3       2       1       1       7
+       3      10       4      12       7      12       5       4      11       7
+       4       7       3       8       7       4       6       3       4       3
+       2       1       1       7       3      10       4      10       7       6
+       3       2       1       7       3      10       4      13       7      12
+       6       5      10       5       4       9       5       4       6       5
+       4       3       2       1       1       7       3      10       4      13
+       7      12       6       5       9       5       4       7       4       3
+       8       3       6       5       2       1       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1      10       3      14      11       6
+       5       8       5       4       7       4       3       6       3       7
+       3       7       4       7       4       3       7       3      10       4
+      12       7      12       5       4      10       8       4       6       3
+       5       3       3       2       1       1       7       3      10       4
+      16       7      12       9       8       3       2       1       4       2
+       1       1       7       3      10       4      12       7       8       5
+       4       3       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      14       7      10
+       7       6       3       2       1       2       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      12       7      11       5       4       8       6       5       3       3
+       2       1       1       7       3      10       4      12       7       8
+       5       4       3       1       1       7       3      10       4      13
+       7      11       6       5       8       4       3       4       3       2
+       1       1       7       3      10       4      16       7      12       9
+       8       3       2       1       4       2       1       1       7       3
+      10       4      12       7      11       5       4       8       6       5
+       3       3       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      13       7      11
+       6       5       6       4       3       2       1       1       7       3
+      10       4      11       7       7       4       3       2       1       7
+       3      10       4      10       7       6       3       2       1       7
+       3      10       4      12       7      12       5       4      11       7
+       4       7       3       8       7       4       6       3       4       3
+       2       1       1       7       3      10       4      13       7      15
+       6       5      10       8       7       3       2       1       3       2
+       1       1       7       3      10       4      13       7      11       6
+       5       6       4       3       2       1       1       7       3      10
+       4      16       7      15       9       8       3       2       1       7
+       5       4       3       2       1       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      10       6       5       8       3       2       4       3       2
+       1       1       7       3      10       4      16       7      15       9
+       8       3       2       1       7       5       4       3       2       1
+       1       7       3       7       4       7       4       3       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      16       7      12       9       8       3       2       1       4
+       2       1       1       7       3      10       4      12       7      12
+       5       4      11       7       4       7       3       8       7       4
+       6       3       4       3       2       1       1       7       3      10
+       4      13       7      12       6       5       9       5       4       7
+       4       3       8       3       6       5       2       1       2       1
+       1       7       3      10       4      11       7       7       4       3
+       2       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      13       7      11       6       5       6       4
+       3       2       1       1       7       3      10       4      12       7
+      11       5       4       8       6       5       3       3       2       1
+       1      10       3      14      11       6       5       8       5       4
+       7       4       3       6       3       7       3       7       4       7
+       4       3       7       3      10       4      13       7      12       6
+       5      10       5       4       9       5       4       6       5       4
+       3       2       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      13       7      15
+       6       5      10       8       7       3       2       1       3       2
+       1       1       7       3      10       4      12       7      12       5
+       4      10       8       4       6       3       5       3       3       2
+       1       1       7       3      10       4      10       7       6       3
+       2       1      10       3      14      11       6       5       8       5
+       4       7       4       3       6       3       7       3      10       4
+      12       7      10       5       4       5       3       2       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      12       7       8       5       4       3       1       1       7
+       3      10       4      13       7      12       6       5       9       5
+       4       7       4       3       8       3       6       5       2       1
+       2       1       1       7       3      10       4      12       7      10
+       5       4       5       3       2       1       1       7       3      10
+       4      13       7      11       6       5       8       4       3       4
+       3       2       1       1       7       3       7       4       7       4
+       3       7       3      10       4      13       7      12       6       5
+      10       5       4       9       5       4       6       5       4       3
+       2       1       1       7       3      10       4      11       7       7
+       4       3       2       1       7       3      10       4      16       7
+      12       9       8       3       2       1       4       2       1       1
+       7       3      10       4      13       7      11       6       5       6
+       4       3       2       1       1       7       3       7       4       7
+       4       3       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1       7       3      10       4      13
+       7      11       6       5       6       4       3       2       1       1
+       7       3      10       4      16       7      15       9       8       3
+       2       1       7       5       4       3       2       1       1       7
+       3      10       4      12       7      12       5       4      10       8
+       4       6       3       5       3       3       2       1       1       7
+       3      10       4      12       7       8       5       4       3       1
+       1       7       3      10       4      13       7      10       6       5
+       8       3       2       4       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      14       7      10       7       6       3       2       1       2       1
+       7       3      10       4      11       7       7       4       3       2
+       1       7       3      10       4      11       7       7       4       3
+       2       1       7       3      10       4      13       7      12       6
+       5       9       5       4       7       4       3       8       3       6
+       5       2       1       2       1       1       7       3      10       4
+      12       7      12       5       4      10       8       4       6       3
+       5       3       3       2       1       1       7       3      10       4
+      13       7      12       6       5       9       5       4       7       4
+       3       8       3       6       5       2       1       2       1       1
+       7       3      10       4      13       7      10       6       5       8
+       3       2       4       3       2       1       1       7       3      10
+       4      13       7      10       6       5       8       3       2       4
+       3       2       1       1       7       3      10       4      12       7
+      10       5       4       5       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      11       6       5       8       4       3       4
+       3       2       1       1       7       3       7       4       7       4
+       3       7       3      10       4      13       7      11       6       5
+       6       4       3       2       1       1       7       3      10       4
+      13       7      11       6       5       6       4       3       2       1
+       1       7       3      10       4      12       7      12       5       4
+      10       8       4       6       3       5       3       3       2       1
+       1       7       3      10       4      16       7      12       9       8
+       3       2       1       4       2       1       1       7       3      10
+       4      11       7       7       4       3       2       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      12       6       5      10       5       4       9
+       5       4       6       5       4       3       2       1       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      16       7      15       9       8       3
+       2       1       7       5       4       3       2       1       1       7
+       3      10       4      16       7      15       9       8       3       2
+       1       7       5       4       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      12       7      10       5       4       5       3       2       1       1
+       7       3      10       4      11       7       7       4       3       2
+       1       7       3       7       4       7       4       3       7       3
+      10       4      16       7      12       9       8       3       2       1
+       4       2       1       1       7       3      10       4      12       7
+      12       5       4      10       8       4       7       3       6       4
+       1       3       2       1       1       7       3      10       4      14
+       7      10       7       6       3       2       1       2       1       7
+       3      10       4      12       7      12       5       4      10       8
+       4       6       3       5       3       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      11       7       7       4       3       2       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      14       7      10       7       6       3
+       2       1       2       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      13       7      12
+       6       5      10       5       4       9       5       4       6       5
+       4       3       2       1       1       7       3      10       4      11
+       7       7       4       3       2       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      11       6       5       6       4       3       2       1       1
+       7       3      10       4      13       7      11       6       5       6
+       4       3       2       1       1       7       3      10       4      13
+       7      12       6       5      10       5       4       9       5       4
+       6       5       4       3       2       1       1       7       3      10
+       4      12       7       8       5       4       3       1       1       7
+       3      10       4      12       7      11       5       4       8       6
+       5       3       3       2       1       1       7       3      10       4
+      16       7      15       9       8       3       2       1       7       5
+       4       3       2       1       1       7       3      10       4      12
+       7      11       5       4       8       6       5       3       3       2
+       1       1       7       3      10       4      13       7      12       6
+       5       9       5       4       7       4       3       8       3       6
+       5       2       1       2       1       1       7       3      10       4
+      16       7      12       9       8       3       2       1       4       2
+       1       1       7       3      10       4      13       7      15       6
+       5      10       8       7       3       2       1       3       2       1
+       1       7       3      10       4      12       7       8       5       4
+       3       1       1       7       3      10       4      13       7      12
+       6       5      10       5       4       9       5       4       6       5
+       4       3       2       1       1       7       3      10       4      16
+       7      15       9       8       3       2       1       7       5       4
+       3       2       1       1       7       3      10       4      14       7
+      10       7       6       3       2       1       2       1       7       3
+      10       4      12       7       8       5       4       3       1       1
+       7       3      10       4      14       7      10       7       6       3
+       2       1       2       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      16       7      15
+       9       8       3       2       1       7       5       4       3       2
+       1       1       7       3      10       4      12       7      11       5
+       4       8       6       5       3       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      13       7      10       6       5       8       3       2
+       4       3       2       1       1       7       3      10       4      10
+       7       6       3       2       1       7       3      10       4      13
+       7      12       6       5      10       5       4       9       5       4
+       6       5       4       3       2       1       1       7       3      10
+       4      10       7       6       3       2       1       7       3       7
+       4       7       4       3       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      14       7      10
+       7       6       3       2       1       2       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      13       7      11       6       5       8       4       3       4       3
+       2       1       1       7       3      10       4      13       7      11
+       6       5       8       4       3       4       3       2       1       1
+       7       3      10       4      13       7      11       6       5       8
+       4       3       4       3       2       1       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      13       7
+      11       6       5       8       4       3       4       3       2       1
+       1       7       3      10       4      13       7      12       6       5
+       9       5       4       7       4       3       8       3       6       5
+       2       1       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      10       7
+       6       3       2       1       7       3      10       4      13       7
+      11       6       5       8       4       3       4       3       2       1
+       1       7       3      10       4      13       7      15       6       5
+      10       8       7       3       2       1       3       2       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      16       7      15       9       8       3       2       1
+       7       5       4       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      11       7       7       4       3       2       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      16       7
+      15       9       8       3       2       1       7       5       4       3
+       2       1       1       7       3      10       4      13       7      12
+       6       5       9       5       4       7       4       3       8       3
+       6       5       2       1       2       1       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      13       7
+      10       6       5       8       3       2       4       3       2       1
+       1       7       3      10       4      11       7       7       4       3
+       2       1       7       3      10       4      12       7      10       5
+       4       5       3       2       1       1       7       3      10       4
+      13       7      12       6       5      10       5       4       9       5
+       4       6       5       4       3       2       1       1       7       3
+       7       4       7       4       3       7       3      10       4      13
+       7      10       6       5       8       3       2       4       3       2
+       1       1       7       3      10       4      13       7      11       6
+       5       6       4       3       2       1       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      12       7      12
+       5       4      10       8       4       7       3       6       4       1
+       3       2       1       1       7       3      10       4      11       7
+       7       4       3       2       1       7       3      10       4      13
+       7      10       6       5       8       3       2       4       3       2
+       1       1       7       3      10       4      13       7      12       6
+       5      10       5       4       9       5       4       6       5       4
+       3       2       1       1       7       3      10       4      11       7
+       7       4       3       2       1       7       3      10       4      13
+       7      12       6       5      10       5       4       9       5       4
+       6       5       4       3       2       1       1       7       3      10
+       4      12       7      10       5       4       5       3       2       1
+       1       7       3      10       4      16       7      12       9       8
+       3       2       1       4       2       1       1       7       3      10
+       4      16       7      12       9       8       3       2       1       4
+       2       1       1      10       3      14      11       6       5       8
+       5       4       7       4       3       6       3       7       3      10
+       4      12       7      12       5       4      10       8       4       7
+       3       6       4       1       3       2       1       1       7       3
+      10       4      12       7       8       5       4       3       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      11       6       5       6       4       3       2
+       1       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      12       7       8       5       4       3       1       1
+       7       3      10       4      10       7       6       3       2       1
+       7       3      10       4      10       7      11       5       4       8
+       6       5       3       3       2       1       1       2       1       1
+       8       3       9       8       9       4       2       5       3       5
+       2       6       9       8      10       9       4       7       4       1
+       5       3       4       2       4       5       8       3       9       8
+       8       4       2       5       3       4       2       5       7       8
+       5       4      11       4       3      13      12       6       5       9
+       5       4       8       5       4       5       4       3       2       1
+       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1       2       4       7      11      16      22      29      37      46
+      56      67      79      92     106       2       3       5       8      12
+      17      23      30      38      47      57      68      80      93     107
+       4       5       6       9      13      18      24      31      39      48
+      58      69      81      94     108       7       8       9      10      14
+      19      25      32      40      49      59      70      82      95     109
+      11      12      13      14      15      20      26      33      41      50
+      60      71      83      96     110      16      17      18      19      20
+      21      27      34      42      51      61      72      84      97     111
+      22      23      24      25      26      27      28      35      43      52
+      62      73      85      98     112      29      30      31      32      33
+      34      35      36      44      53      63      74      86      99     113
+      37      38      39      40      41      42      43      44      45      54
+      64      75      87     100     114      46      47      48      49      50
+      51      52      53      54      55      65      76      88     101     115
+      56      57      58      59      60      61      62      63      64      65
+      66      77      89     102     116      67      68      69      70      71
+      72      73      74      75      76      77      78      90     103     117
+      79      80      81      82      83      84      85      86      87      88
+      89      90      91     104     118      92      93      94      95      96
+      97      98      99     100     101     102     103     104     105     119
+     106     107     108     109     110     111     112     113     114     115
+     116     117     118     119     120
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+ALA LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU LEU ASP ALA GLU PRO PRO ILE 
+LEU TYR SER GLU TYR ASP PRO THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU LEU 
+THR ASN LEU ALA ASP ARG GLU LEU VAL HIE MET ILE ASN TRP ALA LYS ARG VAL PRO GLY 
+PHE VAL ASP LEU THR LEU HIE ASP GLN VAL HIE LEU LEU GLU CYS ALA TRP LEU GLU ILE 
+LEU MET ILE GLY LEU VAL TRP ARG SER MET GLU HIE PRO GLY LYS LEU LEU PHE ALA PRO 
+ASN LEU LEU LEU ASP ARG ASN GLN GLY LYS CYS VAL GLU GLY MET VAL GLU ILE PHE ASP 
+MET LEU LEU ALA THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU GLU PHE VAL 
+CYS LEU LYS SER ILE ILE LEU LEU ASN SER GLY VAL TYR THR PHE LEU SER SER THR LEU 
+LYS SER LEU GLU GLU LYS ASP HIE ILE HIE ARG VAL LEU ASP LYS ILE THR ASP THR LEU 
+ILE HIE LEU MET ALA LYS ALA GLY LEU THR LEU GLN GLN GLN HIE GLN ARG LEU ALA GLN 
+LEU LEU LEU ILE LEU SER HIE ILE ARG HIE MET SER ASN LYS GLY MET GLU HIE LEU TYR 
+SER MET LYS CYS LYS ASN VAL VAL PRO TYR ASP LEU LEU LEU GLU MET LEU ASP ALA HIE 
+RAL 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1      13      32      43      62      76      86      98     115     132
+     148     159     169     188     207     219     229     244     258     272
+     291     310     331     342     357     378     390     404     418     442
+     456     476     487     502     512     523     540     557     564     583
+     602     616     630     649     659     671     695     710     729     745
+     762     779     798     812     836     846     868     892     908     922
+     929     949     965     977     996    1010    1029    1046    1058    1075
+    1091    1108    1127    1146    1161    1172    1182    1206    1225    1240
+    1259    1278    1295    1314    1321    1340    1356    1380    1404    1415
+    1432    1447    1464    1478    1485    1507    1526    1545    1565    1575
+    1589    1603    1622    1641    1660    1672    1696    1710    1727    1734
+    1756    1767    1783    1798    1805    1822    1838    1853    1872    1892
+    1904    1921    1940    1959    1969    1983    1994    2005    2029    2049
+    2073    2090    2107    2121    2140    2157    2164    2179    2194    2214
+    2230    2241    2260    2282    2293    2312    2331    2350    2369    2383
+    2394    2401    2417    2438    2452    2472    2491    2502    2513    2527
+    2546    2568    2579    2598    2613    2628    2650    2662    2679    2698
+    2715    2739    2755    2774    2786    2808    2827    2841    2853    2867
+    2886    2905    2922    2941    2958    2968    2990    3000    3007    3026
+    3040    3059    3076    3093    3110    3127    3144    3168    3187    3197
+    3214    3233    3252    3271    3290    3309    3320    3337    3356    3380
+    3397    3414    3425    3439    3461    3468    3485    3500    3517    3536
+    3557    3568    3585    3607    3618    3640    3654    3670    3686    3700
+    3721    3733    3752    3771    3790    3805    3822    3841    3853    3863
+    3881
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.40000000E+02  3.10000000E+02
+  3.17000000E+02  4.34000000E+02  3.67000000E+02  3.40000000E+02  4.34000000E+02
+  3.37000000E+02  5.53000000E+02  3.20000000E+02  6.56000000E+02  2.27000000E+02
+  3.67000000E+02  4.69000000E+02  4.50000000E+02  4.69000000E+02  3.17000000E+02
+  4.34000000E+02  4.81000000E+02  3.37000000E+02  3.67000000E+02  4.34000000E+02
+  4.27000000E+02  3.67000000E+02  4.77000000E+02  4.88000000E+02  4.10000000E+02
+  5.18000000E+02  3.17000000E+02  4.69000000E+02  4.69000000E+02  4.47000000E+02
+  4.28000000E+02  5.46000000E+02  3.88000000E+02  3.17000000E+02  2.74000000E+02
+  2.37000000E+02  3.35900000E+02  3.37300000E+02  3.03100000E+02  3.20600000E+02
+  3.01500000E+02  3.72400000E+02  3.44300000E+02  4.78400000E+02  6.48000000E+02
+  3.49700000E+02  3.77400000E+02  4.11700000E+02  3.69600000E+02  3.86100000E+02
+  2.56600000E+02  2.79300000E+02  5.04000000E+02  4.11700000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.09000000E+00  1.52600000E+00
+  1.52200000E+00  1.01000000E+00  1.47100000E+00  1.09000000E+00  1.01000000E+00
+  1.44900000E+00  9.60000000E-01  1.41000000E+00  1.25000000E+00  1.81000000E+00
+  1.08000000E+00  1.40000000E+00  1.36400000E+00  1.40900000E+00  1.51000000E+00
+  1.01000000E+00  1.34000000E+00  1.46300000E+00  1.08000000E+00  1.01000000E+00
+  1.38100000E+00  1.08000000E+00  1.34300000E+00  1.33500000E+00  1.39400000E+00
+  1.37100000E+00  1.50400000E+00  1.40400000E+00  1.40000000E+00  1.41900000E+00
+  1.38000000E+00  1.35200000E+00  1.45900000E+00  1.49500000E+00  1.33600000E+00
+  1.81000000E+00  1.09300000E+00  1.09200000E+00  1.53500000E+00  1.47000000E+00
+  1.43900000E+00  1.37300000E+00  1.08700000E+00  1.38700000E+00  1.21400000E+00
+  1.48700000E+00  1.46200000E+00  1.43400000E+00  9.74000000E-01  1.36200000E+00
+  1.77000000E+00  1.73700000E+00  1.37100000E+00  1.43400000E+00
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+  8.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01  6.30000000E+01
+  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  7.00000000E+01
+  5.00000000E+01  3.50000000E+01  5.00000000E+01  8.00000000E+01  8.00000000E+01
+  4.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  8.00000000E+01  6.30000000E+01  5.00000000E+01  3.50000000E+01  5.50000000E+01
+  5.00000000E+01  8.00000000E+01  5.00000000E+01  7.00000000E+01  3.50000000E+01
+  5.00000000E+01  6.20000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
+  6.30000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01  3.50000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  8.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  7.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  6.30000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01  5.00000000E+01
+  6.30000000E+01  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  6.30000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01
+  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01
+  3.50000000E+01  5.00000000E+01  4.30000000E+01  5.00000000E+01  3.92000000E+01
+  4.64000000E+01  3.94000000E+01  4.64000000E+01  6.32000000E+01  6.40000000E+01
+  4.94000000E+01  6.62000000E+01  5.08000000E+01  6.78000000E+01  6.24000000E+01
+  4.85000000E+01  6.98000000E+01  6.72000000E+01  6.87000000E+01  6.46000000E+01
+  6.89000000E+01  6.48000000E+01  6.36000000E+01  6.60000000E+01  6.98000000E+01
+  4.89000000E+01  6.36000000E+01  6.20000000E+01  6.39000000E+01  6.82000000E+01
+  6.57000000E+01  6.49000000E+01  6.82000000E+01  6.60000000E+01
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.93906163E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.10137732E+00  2.03505478E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.94080696E+00  1.94080696E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.06018753E+00  1.91113635E+00
+  1.91462701E+00  1.92160833E+00  1.91113635E+00  1.91113635E+00  1.89368305E+00
+  1.91113635E+00  2.19911580E+00  1.91113635E+00  2.04203610E+00  2.09439600E+00
+  1.91113635E+00  1.72613137E+00  2.00189351E+00  2.05948940E+00  2.09439600E+00
+  2.09439600E+00  1.97222290E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
+  2.09439600E+00  1.91113635E+00  2.09439600E+00  1.98967620E+00  2.09439600E+00
+  2.09439600E+00  2.09439600E+00  1.91113635E+00  2.06647072E+00  2.15024656E+00
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+  2.09299974E+00  1.93888710E+00  1.98112408E+00  2.09614133E+00
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+  2.00000000E+00  2.50000000E+00  0.00000000E+00  2.00000000E+00  4.00000000E-01
+  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  1.55555556E-01
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+  1.10000000E+00  4.00000000E+00  4.00000000E-01  1.05000000E+01  1.10000000E+00
+  1.00000000E+00
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
+  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
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+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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+  3.14159400E+00
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
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+  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
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+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
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+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
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+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
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+    7098    7101       1    7098    7104       2    7068    7074       5    7068
+    7086       5    7059    7068       5    7053    7059       5    7053    7098
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+    7125    7128       1    7125    7131       2    7116    7125       6    7110
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+    7152    7173       6    7146    7152      11    7194    7197       1    7194
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+    7206    7212       5    7206    7242       6    7200    7206      11    7305
+    7308       1    7305    7311       2    7293    7299      17    7284    7287
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+    7269    7272      17    7269    7299      17    7260    7269      20    7254
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+       1    7347    7353       2    7323    7329       5    7323    7341      13
+    7317    7323       5    7317    7347       6    7311    7317      11    7407
+    7410       1    7407    7413       2    7395    7401      17    7389    7395
+      17    7383    7389      17    7377    7383      17    7374    7377      17
+    7374    7401      17    7365    7374      20    7359    7365       5    7359
+    7407       6    7353    7359      11    7464    7467       1    7464    7470
+       2    7434    7440       5    7434    7452       5    7425    7434       5
+    7419    7425       5    7419    7464       6    7413    7419      11    7497
+    7500       1    7497    7503       2    7482    7491      13    7476    7482
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+    7542    7572       6    7536    7542      11    7629    7632       1    7629
+    7635       2    7599    7605       5    7599    7617       5    7590    7599
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+    7695    7698       1    7695    7701       2    7674    7683       8    7665
+    7674       5    7656    7665       5    7647    7656       5    7641    7647
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+       2    7755    7761       5    7755    7773       5    7746    7755       5
+    7740    7746       5    7740    7785       6    7734    7740      11    7830
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+    7797    7830       6    7791    7797      11    7875    7878       1    7875
+    7881       2    7866    7869      14    7866    7872      14    7857    7866
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+    7836    7842      11    7941    7944       1    7941    7947       2    7920
+    7929       8    7911    7920       5    7902    7911       5    7893    7902
+       5    7887    7893       5    7887    7941       6    7881    7887      11
+    7977    7980       1    7977    7983       2    7968    7971      14    7968
+    7974      14    7959    7968       6    7953    7959       5    7953    7977
+       6    7947    7953      11    8028    8031       1    8028    8034       2
+    8016    8022      26    8010    8016      28    8007    8010      29    8004
+    8007      30    8004    8022      31    7995    8004      32    7989    7995
+       5    7989    8028       6    7983    7989      11    8085    8088       1
+    8085    8091       2    8064    8073       5    8046    8052       5    8046
+    8064       5    8040    8046       5    8040    8085       6    8034    8040
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+    8118    8124      28    8115    8118      29    8112    8115      30    8112
+    8130      31    8103    8112      32    8097    8103       5    8097    8136
+       6    8091    8097      11    8208    8211       1    8208    8214       2
+    8187    8190      22    8187    8199      22    8181    8187      22    8172
+    8181      23    8163    8172       5    8154    8163       5    8148    8154
+       5    8148    8208       6    8142    8148      11    8256    8259       1
+    8256    8262       2    8226    8232       5    8226    8244       5    8220
+    8226       5    8220    8256       6    8214    8220      11    8313    8316
+       1    8313    8319       2    8283    8289       5    8283    8301       5
+    8274    8283       5    8268    8274       5    8268    8313       6    8262
+    8268      11    8349    8352       1    8349    8355       2    8340    8343
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+    8325    8349       6    8319    8325      11    8415    8418       1    8415
+    8421       2    8394    8403       8    8385    8394       5    8376    8385
+       5    8367    8376       5    8361    8367       5    8361    8415       6
+    8355    8361      11    8472    8475       1    8472    8478       2    8451
+    8460       5    8433    8439       5    8433    8451       5    8427    8433
+       5    8427    8472       6    8421    8427      11    8514    8517       1
+    8514    8520       2    8490    8496       5    8490    8508      13    8484
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+    8532    8541       6    8526    8532       5    8526    8550       6    8520
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+    8556    8562      11    8649    8652       1    8649    8655       2    8619
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+    8706    8712       2    8685    8694       5    8667    8673       5    8667
+    8685       5    8661    8667       5    8661    8706       6    8655    8661
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+       6    8712    8718      11    8814    8817       1    8814    8820       2
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+    8832    8841       5    8826    8832       5    8826    8865       6    8820
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+    8961    8967       2    8940    8949       8    8931    8940       5    8922
+    8931       5    8913    8922       5    8907    8913       5    8907    8961
+       6    8901    8907      11    8991    8994       1    8991    8997       2
+    8973    8979       5    8973    8991       6    8967    8973      11    9012
+    9015       1    9012    9018       2    9003    9012       6    8997    9003
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+    9039    9057       5    9030    9039       5    9024    9030       5    9024
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+    9174       2    9138    9144       5    9138    9156       5    9129    9138
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+    9219    9222       1    9219    9225       2    9204    9207       1    9204
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+    9270    9276       2    9255    9258       1    9255    9261       2    9246
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+    9306    9309       1    9306    9312       2    9297    9306       6    9288
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+    9474    9486      22    9468    9474      22    9459    9468      23    9450
+    9459       5    9441    9450       5    9435    9441       5    9435    9495
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+    9522    9528       5    9522    9540       5    9513    9522       5    9507
+    9513       5    9507    9552       6    9501    9507      11    9582    9585
+       1    9582    9588       2    9564    9570       5    9564    9582       6
+    9558    9564      11    9633    9636       1    9633    9639       2    9618
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+    9690    9693       1    9690    9696       2    9660    9666       5    9660
+    9678       5    9651    9660       5    9645    9651       5    9645    9690
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+    9717    9723       5    9717    9735       5    9708    9717       5    9702
+    9708       5    9702    9747       6    9696    9702      11    9804    9807
+       1    9804    9810       2    9774    9780       5    9774    9792       5
+    9765    9774       5    9759    9765       5    9759    9804       6    9753
+    9759      11    9861    9864       1    9861    9867       2    9840    9849
+       5    9822    9828       5    9822    9840       5    9816    9822       5
+    9816    9861       6    9810    9816      11    9918    9921       1    9918
+    9924       2    9888    9894       5    9888    9906       5    9879    9888
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+    9951    9954       1    9951    9957       2    9936    9945      13    9930
+    9936       5    9930    9951       6    9924    9930      11   10002   10005
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+    9981    9984      29    9978    9981      30    9978    9996      31    9969
+    9978      32    9963    9969       5    9963   10002       6    9957    9963
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+   10020   10026       5   10020   10038       5   10014   10020       5   10014
+   10059       6   10008   10014      11   10131   10134       1   10131   10137
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+   10095   10104      23   10086   10095       5   10077   10086       5   10071
+   10077       5   10071   10131       6   10065   10071      11   10182   10185
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+   10161   10164      29   10158   10161      30   10158   10176      31   10149
+   10158      32   10143   10149       5   10143   10182       6   10137   10143
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+   10209   10218      15   10200   10209       5   10194   10200       5   10194
+   10233       6   10188   10194      11   10266   10269       1   10266   10272
+       2   10251   10260      13   10245   10251       5   10245   10266       6
+   10239   10245      11   10308   10311       1   10308   10314       2   10293
+   10296       1   10293   10299       2   10284   10293       6   10278   10284
+       5   10278   10308       6   10272   10278      11   10374   10377       1
+   10374   10380       2   10353   10362       8   10344   10353       5   10335
+   10344       5   10326   10335       5   10320   10326       5   10320   10374
+       6   10314   10320      11   10395   10398       1   10395   10401       2
+   10386   10395       6   10380   10386      11   10446   10449       1   10446
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+   10491   10494       1   10491   10497       2   10482   10485      14   10482
+   10488      14   10473   10482       6   10464   10473       5   10458   10464
+       5   10458   10491       6   10452   10458      11   10542   10545       1
+   10542   10548       2   10530   10536      26   10524   10530      28   10521
+   10524      29   10518   10521      30   10518   10536      31   10509   10518
+      32   10503   10509       5   10503   10542       6   10497   10503      11
+   10599   10602       1   10599   10605       2   10569   10575       5   10569
+   10587       5   10560   10569       5   10554   10560       5   10554   10599
+       6   10548   10554      11   10662   10665       1   10662   10668       2
+   10650   10656      17   10641   10644      18   10641   10650      19   10635
+   10641      19   10629   10635      17   10626   10629      17   10626   10656
+      17   10617   10626      20   10611   10617       5   10611   10662       6
+   10605   10611      11   10695   10698       1   10695   10701       2   10680
+   10689      13   10674   10680       5   10674   10695       6   10668   10674
+      11   10746   10749       1   10746   10752       2   10731   10734      15
+   10722   10731      15   10713   10722       5   10707   10713       5   10707
+   10746       6   10701   10707      11   10812   10815       1   10812   10818
+       2   10791   10800       8   10782   10791       5   10773   10782       5
+   10764   10773       5   10758   10764       5   10758   10812       6   10752
+   10758      11   10845   10848       1   10845   10851       2   10830   10839
+      41   10824   10830       5   10824   10845       6   10818   10824      11
+   10911   10914       1   10911   10917       2   10890   10899       8   10881
+   10890       5   10872   10881       5   10863   10872       5   10857   10863
+       5   10857   10911       6   10851   10857      11   10953   10956       1
+   10953   10959       2   10938   10941       1   10938   10944       2   10929
+   10938       6   10923   10929       5   10923   10953       6   10917   10923
+      11   11001   11004       1   11001   11007       2   10971   10977       5
+   10971   10989       5   10965   10971       5   10965   11001       6   10959
+   10965      11   11049   11052       1   11049   11055       2   11019   11025
+       5   11019   11037       5   11013   11019       5   11013   11049       6
+   11007   11013      11   11091   11094       1   11091   11097       2   11085
+   11091       6   11076   11085       5   11067   11076       5   11058   11067
+       5   11055   11058      11   11055   11085      11   11154   11157       1
+   11154   11160       2   11142   11148      17   11133   11136      18   11133
+   11142      19   11127   11133      19   11121   11127      17   11118   11121
+      17   11118   11148      17   11109   11118      20   11103   11109       5
+   11103   11154       6   11097   11103      11   11190   11193       1   11190
+   11196       2   11181   11184      14   11181   11187      14   11172   11181
+       6   11166   11172       5   11166   11190       6   11160   11166      11
+   11247   11250       1   11247   11253       2   11217   11223       5   11217
+   11235       5   11208   11217       5   11202   11208       5   11202   11247
+       6   11196   11202      11   11304   11307       1   11304   11310       2
+   11274   11280       5   11274   11292       5   11265   11274       5   11259
+   11265       5   11259   11304       6   11253   11259      11   11361   11364
+       1   11361   11367       2   11331   11337       5   11331   11349       5
+   11322   11331       5   11316   11322       5   11316   11361       6   11310
+   11316      11   11406   11409       1   11406   11412       2   11397   11400
+      14   11397   11403      14   11388   11397       6   11379   11388       5
+   11373   11379       5   11373   11406       6   11367   11373      11   11457
+   11460       1   11457   11463       2   11442   11445      15   11433   11442
+      15   11424   11433       5   11418   11424       5   11418   11457       6
+   11412   11418      11   11514   11517       1   11514   11520       2   11484
+   11490       5   11484   11502       5   11475   11484       5   11469   11475
+       5   11469   11514       6   11463   11469      11   11550   11553       1
+   11550   11556       2   11541   11544      14   11541   11547      14   11532
+   11541       6   11526   11532       5   11526   11550       6   11520   11526
+      11   11580   11583       1   11580   11586       2   11562   11568       5
+   11562   11580       6   11556   11562      11   11631   11634      14   11631
+   11637      14   11619   11625      26   11613   11619      28   11610   11613
+      29   11607   11610      30   11607   11625      31   11598   11607      32
+   11592   11598       5   11592   11631       6   11586   11592      11   11805
+   11814      44   11796   11805      44   11787   11796      44   11778   11787
+      44   11775   11778      45   11775   11814      45   11766   11775      45
+   11757   11766      44   11754   11757      46   11751   11754      47   11745
+   11751      49   11739   11745      49   11730   11751      49   11727   11730
+      49   11724   11727      49   11724   11739      49   11718   11721      50
+   11718   11724      51   11715   11718      52   11712   11715      53   11706
+   11712      49   11700   11706      49   11691   11694      55   11691   11700
+      49   11685   11691      49   11682   11685      49   11682   11712      49
+   11679   11682      56   11676   11679      57   11676   11715      58   11673
+   11676      59   11667   11673      49   11661   11667      49   11652   11673
+      49   11649   11652      49   11646   11649      49   11646   11661      49
+   11640   11646      55
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+      30      36      39       2      24      18      27       4      21      18
+      24       4      21      18      27       4      15      12      18       6
+      15      12      30       7      12      18      21       8      12      18
+      24       8      12      18      27       8       9       0      12      11
+       6       0       9      12       6       0      12      11       3       0
+       6      12       3       0       9      12       3       0      12      11
+       0      12      15      13      87      93      96       2      81      75
+      84       4      78      75      81       4      78      75      84       4
+      69      63      72       4      66      63      69       4      66      63
+      72       4      60      57      63       8      60      57      75       8
+      57      63      66       8      57      63      69       8      57      63
+      72       8      57      75      78       8      57      75      81       8
+      57      75      84       8      54      48      57       8      51      48
+      54       4      51      48      57       8      48      57      60       8
+      45      42      48      17      45      42      87      18      42      48
+      51       8      42      48      54       8      39      36      42      19
+      36      42      45      20     120     126     129       2     111     105
+     114      23     108     105     111      24     108     105     114      23
+     105     114     117      25     102      99     105      17     102      99
+     120      18      99     105     108      17      99     105     111      17
+      96      93      99      19      93      99     102      20     177     183
+     186       2     171     165     174       4     168     165     171       4
+     168     165     174       4     159     153     162       4     156     153
+     159       4     156     153     162       4     150     147     153       8
+     150     147     165       8     147     153     156       8     147     153
+     159       8     147     153     162       8     147     165     168       8
+     147     165     171       8     147     165     174       8     144     138
+     147       8     141     138     144       4     141     138     147       8
+     138     147     150       8     135     132     138      17     135     132
+     177      18     132     138     141       8     132     138     144       8
+     129     126     132      19     126     132     135      20     219     225
+     228       2     207     201     210       4     204     201     207       4
+     204     201     210       4     198     195     201      17     198     195
+     213      23     195     201     204       8     195     201     207       8
+     195     201     210       8     195     213     216      25     192     189
+     195      17     192     189     219      18     189     195     198      17
+     186     183     189      19     183     189     192      20     249     255
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+   11655     101   11646   11649   11658     101   11646   11661   11664     101
+   11643   11640   11646     111
+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
+      33      30      36       1      30      36      42       3      18      12
+      30       5      12      30      33       9      12      30      36      10
+       0      12      18      14       0      12      30      15      90      87
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+    1197    1203    1206       9    1197    1203    1209      10    1188    1197
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+    1170    1179    1188      16    1167    1170    1179      21    1167    1197
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+    1245       5    1215    1221    1227      16    1215    1221    1239      26
+    1215    1245    1248       9    1215    1245    1251      10    1209    1215
+    1221      21    1209    1215    1245      22    1320    1317    1323       1
+    1317    1323    1326       3    1317    1323    1353       3    1299    1296
+    1308      46    1290    1296    1299      46    1290    1296    1308      46
+    1281    1290    1296      50    1272    1281    1290      51    1263    1257
+    1317       5    1263    1272    1281      16    1257    1263    1272      16
+    1257    1317    1320       9    1257    1317    1323      10    1251    1257
+    1263      21    1251    1257    1317      22    1362    1359    1365       1
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+    1326    1323    1353      34    1326    1335    1344      16    1323    1326
+    1335      21    1323    1353    1344      21    1323    1353    1359      22
+    1422    1419    1425       1    1419    1425    1431       3    1401    1407
+    1413      41    1395    1401    1407      41    1389    1386    1413      41
+    1389    1395    1401      41    1386    1389    1395      41    1386    1413
+    1407      41    1377    1371    1419       5    1377    1386    1389      43
+    1377    1386    1413      43    1371    1377    1386      44    1371    1419
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+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
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+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
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+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
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+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
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+M   E   M   E   3   E   E   B   E   E   M   E   M   E   M   E   3   E   E   E   
+M   E   BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+M   E   M   M   M   E   E   B   E   S   E   M   M   S   B   S   E   S   S   E   
+B   E   B   E   S   M   M   E   M   B   S   E   E   M   E   M   E   M   M   M   
+E   E   M   E   E   M   3   E   E   3   E   E   3   E   E   B   E   E   M   E   
+E   
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
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+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
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+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+H(N)-modified Bondi radii (mbondi2)                                             
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
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+%FORMAT(5E16.8)                                                                 
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