Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate CADDSuite-1.5/data/fragments/HOH.db @ 16:1a24aef40d01 draft

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author marcel
date Tue, 24 Jul 2012 11:10:07 -0400
parents ac342506cd4e
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ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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1 <node>HOH
ac342506cd4e CADDSuite version 1.5
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2 <node>Names
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3 <node>Water</node>
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4 </node>
ac342506cd4e CADDSuite version 1.5
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5 <node>Atoms
ac342506cd4e CADDSuite version 1.5
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6 <node>O <value>O 15.118 9.944 8.582</value></node>
ac342506cd4e CADDSuite version 1.5
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7 <node>1H<value>H 15.211 9.386 7.809</value></node>
ac342506cd4e CADDSuite version 1.5
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8 <node>2H<value>H 14.173 9.992 8.730</value></node>
ac342506cd4e CADDSuite version 1.5
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9 </node>
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10 <node>Bonds
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11 <node>1<value>1H O s</value></node>
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12 <node>2<value>2H O s</value></node>
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13 </node>
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14 <node>Connections
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15 </node>
ac342506cd4e CADDSuite version 1.5
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16 <node>Properties
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17 </node>
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18 <node>Variants
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19 <node>Default</node>
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20 </node>
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21 </node>