Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.5/data/fragments/HOH.db @ 7:bfab27640f5e draft
CADDSuite version 1.5
| author | Marcel Schumann <schumann.marcel@gmail.com> |
|---|---|
| date | Tue, 24 Jul 2012 11:13:59 -0400 |
| parents | |
| children |
comparison
equal
deleted
inserted
replaced
| 6:decca54699e3 | 7:bfab27640f5e |
|---|---|
| 1 <node>HOH | |
| 2 <node>Names | |
| 3 <node>Water</node> | |
| 4 </node> | |
| 5 <node>Atoms | |
| 6 <node>O <value>O 15.118 9.944 8.582</value></node> | |
| 7 <node>1H<value>H 15.211 9.386 7.809</value></node> | |
| 8 <node>2H<value>H 14.173 9.992 8.730</value></node> | |
| 9 </node> | |
| 10 <node>Bonds | |
| 11 <node>1<value>1H O s</value></node> | |
| 12 <node>2<value>2H O s</value></node> | |
| 13 </node> | |
| 14 <node>Connections | |
| 15 </node> | |
| 16 <node>Properties | |
| 17 </node> | |
| 18 <node>Variants | |
| 19 <node>Default</node> | |
| 20 </node> | |
| 21 </node> |