VENDOR:          http://joelib.sf.net
RELEASE_VERSION: $Revision: 1.2 $
RELEASE_DATE:    $Date: 2005/01/07 07:18:15 $

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

SP3-SP3   60.0 -60.0 180.0
SP2-SP2   0.0 180.0 -30.0 30.0 150.0 -150.0
SP3-SP2   0.0 30.0 -30.0 60.0 -60.0 120.0 -120.0 -150.0 150.0 180.0 -90.0 90.0

#nitro
[aD3]cN(~[OD1])~[OD1]        1 2 3 4  0.0 60.0 -60.0