--- a/CADDSuite-1.6/data/OpenBabel/psa.txt	Sat Dec 15 13:16:40 2012 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,68 +0,0 @@
-######################################################################
-# Copyright OELIB:          OpenEye Scientific Software, Santa Fe,      
-#                           U.S.A., 1999,2000,2001                      
-# Copyright JOELIB/JOELib2: Dept. Computer Architecture, University of  
-#                           Tuebingen, Germany, 2001,2002,2003,2004,2005
-# Copyright JOELIB/JOELib2: ALTANA PHARMA AG, Konstanz, Germany,        
-#                           2003,2004,2005                              
-#                                                                       
-# Authors: Stephen Jelfs                                                                       
-#          Joerg Kurt Wegner, me@cheminformatics.eu         
-#                                                                       
-# This program is free software; you can redistribute it and/or modify  
-# it under the terms of the GNU General Public License as published by  
-# the Free Software Foundation version 2 of the License.                
-#                                                                       
-# This program is distributed in the hope that it will be useful,       
-# but WITHOUT ANY WARRANTY; without even the implied warranty of        
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the         
-# GNU General Public License for more details.                          
-######################################################################
-# Atomic Contributions to Polar Surface Area PSA
-# ref. Ertl P., Rohde R., Selzer P., J. Med. Chem. 2000, 43, 3714-3717
-######################################################################
-;heavy
-[*]	0.00
-[N](-*)(-*)-*	3.24
-[N](-*)=*	12.36
-[N]#*	23.79
-[N](-*)(=*)=*	11.68
-[N](=*)#*	13.60
-[N]1(-*)-*-*1	3.01
-[NH](-*)-*	12.03
-[NH]1-*-*1	21.94
-[NH]=*	23.85
-[NH2]-*	26.02
-[N+](-*)(-*)(-*)-*	0.00
-[N+](-*)(-*)=*	3.01
-[N+](-*)#*	4.36
-[NH+](-*)(-*)-*	4.44
-[NH+](-*)=*	13.97
-[NH2+](-*)-*	16.61
-[NH2+]=*	25.59
-[NH3+]-*	27.64
-[n](:*):*	12.89
-[n](:*)(:*):*	4.41
-[n](-*)(:*):*	4.93
-[n](=*)(:*):*	8.39
-[nH](:*):*	15.79
-[n+](:*)(:*):*	4.10
-[n+](-*)(:*):*	3.88
-[nH+](:*):*	14.14
-[O](-*)-*	9.23
-[O]1-*-*1	12.53
-[O]=*	17.07
-[OH]-*	20.23
-[O-]-*	23.06
-[o](:*):*	13.14
-[S](-*)-*	25.30
-[S]=*	32.09
-[S](-*)(-*)=*	19.21
-[S](-*)(-*)(=*)=*	8.38
-[SH]-*	38.80
-[s](:*):*	28.24
-[s](=*)(:*):*	21.70
-[P](-*)(-*)-*	13.59
-[P](-*)=*	34.14
-[P](-*)(-*)(-*)=*	9.81
-[PH](-*)(-*)=*	23.47