VENDOR:          http://joelib.sf.net
RELEASE_VERSION: $Revision: 1.3 $
RELEASE_DATE:    $Date: 2005/01/07 07:18:15 $

################################################################################
#                                                                              #
# Used to assign the internal atom type to an atom.                            #
# It is 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.                          
########################################################################

[#7^3]					N3
[#7X4+]					N3+
[#7^2]					Npl
[#7^1]					N1
[$(N=*)]				N2
[$([Nr0]C(=[Nr0])[Nr0])]		Ng+
[$([Nr0]=C([Nr0])[Nr0])]		Ng+
[$([NQ1]=C[NQ1])]			Ng+
[$([NQ1]C=[NQ1])]			Ng+
[$(N(O)*)]				Nox
[$(NC=[O,S])]				Nam
[$(N(~[OQ1])~[OQ1])]			Ntr
[n]					Nar

[#6^3]					C3
[#6^2]					C2
[$(C(=O)[OQ1])]				Cac
[c]					Car
[#6^1]					C1
[#6+]					C+
[#6-]					C-

[#8^3]					O3
[#8^2]					O2
[$(Oa)]					O2
#Uncomment the following 2 lines for correct sybyl atom typing
[$([OQ2]C=[O,S])]			O3	#ester oxygen
[$(Oa)]                        		O3      #aromatic ether
[#8-]					O-
[$([#8Q1]~[#6]~[#8Q1])]         	Oco2

[#15]					P
[#15X4+]				P3+
[#15;$([#15Q4](~[OQ1])(~[OQ1])~[OQ1])]	Pac
[#15;$([#15Q3](~[OQ1])~[OQ1])]		Pac

[#16]					S3
[#16Q3+,#16X3+]				S3+
[#16;s,$([SQ1]=*)]			S2
[#16Q4;$(S(=O)(=O))]			So2
[#16Q3;$(S(=O))]			Sox
[#16;$([#16Q4](~[OQ1])(~[OQ1])~[OQ1])]	Sac
[#16;$([#16Q3](~[OQ1])~[OQ1])]		Sac

[#5]					B2
[#5Q4]					B3

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


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