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-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 ##############################
-
-
-
-
-
-
-
-