Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/fragments/NME.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/NME.db Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,46 +0,0 @@ -<node>NME - <node>Names - <node>Methylamine</node> - </node> - <node>Atoms - <node>N<value>N 0.724 0.000 -0.079</value></node> - <node>CH3<value>C -0.742 0.000 0.011</value></node> - <node>1H<value>H 1.046 0.810 0.431</value></node> - <node>2H<value>H 1.046 -0.810 0.431</value></node> - <node>1HH3<value>H -1.139 -0.861 -0.527</value></node> - <node>2HH3<value>H -1.042 -0.056 1.057</value></node> - <node>3HH3<value>H -1.133 0.917 -0.431</value></node> - </node> - <node>Bonds - <node>1<value>N CH3 s</value></node> - <node>2<value>N 1H s</value></node> - <node>3<value>N 2H s</value></node> - <node>4<value>CH3 1HH3 s</value></node> - <node>5<value>CH3 2HH3 s</value></node> - <node>6<value>CH3 3HH3 s</value></node> - </node> - <node>Connections - <node>N-term<value>N C-term s 1.33 0.5</value></node> - </node> - <node>Properties - </node> - <node>Variants - <node>NME-C - <node>Delete - <node>2H</node> - </node> - <node>Rename - <node>1H<value>H</value></node> - </node> - <node>Properties - <node>C_TERMINAL</node> - </node> - </node> - <node>NME-M - <node>Properties - <node>C_TERMINAL</node> - <node>N_TERMINAL</node> - </node> - </node> - </node> -</node>