diff options
Diffstat (limited to 'java/joelib2/data/plain/torlib.txt')
| -rw-r--r-- | java/joelib2/data/plain/torlib.txt | 28 |
1 files changed, 28 insertions, 0 deletions
diff --git a/java/joelib2/data/plain/torlib.txt b/java/joelib2/data/plain/torlib.txt new file mode 100644 index 0000000..f3a95fb --- /dev/null +++ b/java/joelib2/data/plain/torlib.txt @@ -0,0 +1,28 @@ +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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