VENDOR:          http://joelib.sf.net
RELEASE_VERSION: $Revision: 1.3 $
RELEASE_DATE:    $Date: 2005/01/08 22:23:25 $

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#                                                                              #
# Used to assign the hybridisation values valence of an atom.                  #
# It is NOT allowed to use assigned hybridisation patterns here, e.g. [#6^3]   #
# The LAST PATTERN MATCHED is used to assign values.  Additions to this file   #
# should be placed in the EXTRA DEFINITIONS section                            #
#                                                                              #
################################################################################
# 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                              
#                                                                       
# 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.                          
########################################################################

[C]                             3 #sp3 carbon
[c,$(C=*)]                      2 #sp2 carbon
[$([#6]([#8Q1])[#8Q1])]         2 #sp2 carbon
[$(C#*),$(C(=*)=*)]             1 #sp  carbon
[N]						        3 #sp3 nitrogen
[n,$(N=*),$(N[#6,#7,#8]=,:,#*)] 2 #sp2 nitrogen
[$(N#*),$([NQ2](=*)=*)]         1 #sp  nitrogen
[O]                             3 #sp3 oxygen
[o,$(O=*),$(O[#6,#7,#8]=,:*)]   2 #sp2 oxygen
[$([#8Q1][#6][#8Q1])]           2 #sp2 oxygen
[$(O#*)]                        1 #sp  oxygen
[Q4]                            3 #any 4 valent atom

[P]                             3 #sp3 phosphorus
[#15;$([PQ1]=*)]                2 #sp2 phosphorus
[S]                             3 #sp3 sulfur
[#16;s,$([SQ1]=*)]              2 #sp2 sulfur
[B]                             2 #sp2 boron
[BQ4]                           3 #sp3 boron

######################## Add Extra Definitions Here ##############################


############################# End Extra Definitions ##############################