Mercurial > repos > marcel > caddsuite_linux_x86_64
view CADDSuite-1.5/data/fragments/Benzene-Skeleton.db @ 16:1a24aef40d01 draft
Deleted selected files
author | marcel |
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date | Tue, 24 Jul 2012 11:10:07 -0400 |
parents | ac342506cd4e |
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<node>Benzene-Skeleton <node>Names <node>Benzene-Skeleton</node> </node> <node>Atoms <node>C1<value>C 0.066248 -1.287634 0.144514</value></node> <node>C2<value>C 0.057081 -0.613884 1.337852</value></node> <node>C3<value>C 0.045766 0.796088 1.307799</value></node> <node>C4<value>C 0.054862 1.462219 0.071058</value></node> <node>C5<value>C 0.073086 0.728404 -1.129738</value></node> <node>C6<value>C 0.091744 -0.671622 -1.107443</value></node> </node> <node>Bonds <node>1<value>C1 C2 s</value></node> <node>2<value>C2 C3 d</value></node> <node>3<value>C3 C4 s</value></node> <node>4<value>C4 C5 d</value></node> <node>5<value>C5 C6 s</value></node> <node>6<value>C6 C1 d</value></node> </node> <node>Properties </node> </node>