VENDOR:          http://joelib.sf.net
RELEASE_VERSION: $Revision: 1.3 $
RELEASE_DATE:    $Date: 2005/01/08 22:23:25 $

########################################################################
#
# Used to assign the implicit valence of 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.
########################################################################

[#6^3]                        4
[#6^2]                        3
[#6^1]                        2
[#6^3-]                       3
[#6^2-]                       2
[c+]                          2

[#8^3]                        2
[#8^2]                        2
[$([#8]=*)]                   1
[#8-]                         1
[$([#8Q1]~[#7Q3]~[#8Q1])]     1
#[$([#8Q1]~[#6]~[#8Q1])]      1
[$([#8Q1]-[#6]=[#8Q1])]       2
[$([#8-Q1]-[#6]=[#8Q1])]      1

[N^3]                         3
[N^3+]                        4
[N^2]                         3
[N^2-,N^3-]                   2
[NQ1^1]                       1
[NQ2^1]                       2
[$(N([OQ1])*)]                3
[$(NC=O)]                     3
[$(N(~[OQ1])~[OQ1])]          3
[$([Nr0]C=[Nr0])]             3
[$(N=*)]                      2
#uncomment this line for cansmi testing
#[$([Nr0]=C[Nr0])]            2
[$([#7Q1-]=*)]                1
[n]                           2
[n-]                          2
[n+]                          3

[#15Q4]                       4
[#15Q3]                       3
[#15Q2]                       3
[#15Q1^3]                     3
[#15Q1^2]                     3
[$([#15]=[#6])]               2
[pQ2]                         2

[#16Q4]                       4
[#16Q3]                       3
[#16Q2]                       2
[$([#16Q1]-*)]                2
[#16Q1^2]                     1
[s]                           2
[#16Q1-]                      1

[#5]                          3
[as]                          3

######################## Add Extra Definitions Here ##############################


############################# End Extra Definitions ##############################