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diff CADDSuite-1.5/data/fragments/Pyrrole-Skeleton.db @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.5/data/fragments/Pyrrole-Skeleton.db	Tue Jul 24 11:08:49 2012 -0400
@@ -0,0 +1,21 @@
+<node>Pyrrole-Skeleton
+	<node>Names
+		<node>Pyrrole-Skeleton</node>
+	</node>
+	<node>Atoms
+		<node>C1<value>C -0.028662 -0.037639 1.451927</value></node>
+		<node>N2<value>N -0.002221 -1.136686 0.619895</value></node>
+		<node>C3<value>C 0.0447 -0.76844 -0.708243</value></node>
+		<node>C4<value>C 0.046187 0.65781 -0.681334</value></node>
+		<node>C5<value>C -0.008647 1.094253 0.712146</value></node>
+	</node>
+	<node>Bonds
+		<node>1<value>C1 N2 s</value></node>
+		<node>2<value>N2 C3 d</value></node>
+		<node>3<value>C3 C4 s</value></node>
+		<node>4<value>C4 C5 d</value></node>
+		<node>5<value>C5 C1 s</value></node>
+	</node>
+	<node>Properties
+	</node>
+</node>