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  • Committer: Package Import Robot
  • Author(s): Jonathan Riddell
  • Date: 2012-06-06 13:34:47 UTC
  • mfrom: (1.1.11)
  • Revision ID: package-import@ubuntu.com-20120606133447-thn6wnlq7arpgmi2
Tags: 4:4.8.80-0ubuntu1
New upstream release

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Lines of Context:
data/molecules/water.cml
 
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<molecule>
 
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 <atomArray>
 
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  <atom id="a1" elementType="O" x3="-0.230656" y3="2.711862" z3="0.024653"/>
 
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  <atom id="a2" elementType="H" x3="0.735610" y3="2.673645" z3="-0.031217"/>
 
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  <atom id="a3" elementType="H" x3="-0.530164" y3="2.191793" z3="-0.735659"/>
 
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 </atomArray>
 
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 <bondArray>
 
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  <bond atomRefs2="a1 a2" order="1"/>
 
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  <bond atomRefs2="a1 a3" order="1"/>
 
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 </bondArray>
 
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</molecule>