Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/fragments/Benzene-Skeleton.db @ 10:eda78e0f5df6 draft default tip
Deleted selected files
| author | marcel |
|---|---|
| date | Sun, 30 Nov 2014 03:46:08 -0500 |
| parents | 488032d372e1 |
| children |
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--- a/CADDSuite-1.6/data/fragments/Benzene-Skeleton.db Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,23 +0,0 @@ -<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>