VENDOR:          http://joelib.sf.net
RELEASE_VERSION: $Revision: 1.4 $
RELEASE_DATE:    $Date: 2005/02/08 20:25:34 $

########################################################################
# 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.                          
########################################################################

#PATTERN           MIN  MAX
#carbon patterns
[#6Q2r+,#6Q3r+]    1	1
[#6r]=@*           1    1
[#6rQ3]=!@*        1    1
# external double bonds to hetero atoms contribute no electrons to the 
# aromatic system. This makes sense, because chinoid systems are non-
# aromatic, e.g. 1,4-Benzochinon
[#6rQ3]=!@[!#6]    0    0
[#6rQ3-]           2    2

#nitrogen patterns
[#7r](-@*)-@*  		2	2
[#7rQ2]=@*		1	1
[#7Q3+]			1	1
[#7rQ3]=O		1	1
[#7Q2-]			2	2

#oxygen patterns
[#8r]			2	2
[#8r+]			1	1

#sulfur patterns
[#16rQ2]		2	2
[#16rQ2+]		1	1
[#16rQ3]=!@O		2	2

#other misc patterns
[#15rQ3]		2	2
#[#34rQ2]		2	2
#[#52rQ2]		2	2