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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 ##############################
+
+
+
+
+
+
+
+