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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
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