Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.6/data/fragments/Pyrrole-Skeleton.db @ 18:026f5a483650 draft default tip
Deleted selected files
| author | marcel |
|---|---|
| date | Sun, 30 Nov 2014 03:47:45 -0500 |
| parents | 25a03362403c |
| children |
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--- a/CADDSuite-1.6/data/fragments/Pyrrole-Skeleton.db Sat Dec 15 13:10:41 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,21 +0,0 @@ -<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>