Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/fragments/Indole-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/Indole-Skeleton.db Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,30 +0,0 @@ -<node>Indole-Skeleton - <node>Names - <node>Indole-Skeleton</node> - </node> - <node>Atoms - <node>C1<value>C 0.098272 0.968184 -2.108448</value></node> - <node>N2<value>N 0.106846 2.054217 -1.259124</value></node> - <node>C3<value>C 0.08464 1.665738 0.063892</value></node> - <node>C4<value>C 0.060104 0.240281 0.014949</value></node> - <node>C5<value>C 0.062069 -0.174574 -1.386187</value></node> - <node>C6<value>C 0.084854 2.377612 1.27264</value></node> - <node>C7<value>C 0.060305 1.667968 2.483589</value></node> - <node>C8<value>C 0.039354 0.262233 2.470668</value></node> - <node>C9<value>C 0.039595 -0.441663 1.251419</value></node> - </node> - <node>Bonds - <node>1<value>C1 N2 s</value></node> - <node>2<value>N2 C3 s</value></node> - <node>3<value>C3 C4 d</value></node> - <node>4<value>C4 C5 s</value></node> - <node>5<value>C5 C1 d</value></node> - <node>6<value>C3 C6 s</value></node> - <node>7<value>C6 C7 d</value></node> - <node>8<value>C7 C8 s</value></node> - <node>9<value>C8 C9 d</value></node> - <node>10<value>C9 C4 s</value></node> - </node> - <node>Properties - </node> -</node>