topical media & game development
springgraph-sample-MoleculeViewer-cmlfiles-choline.xml
<molecule convention="MDLMol" id="choline" title="CHOLINE">
<date day="27" month="11" year="1995">
</date>
<atomArray>
<atom id="a1">
<string builtin="elementType">C</string>
<float builtin="x2">-0.0258</float>
<float builtin="y2">0.6233</float>
</atom>
<atom id="a2">
<string builtin="elementType">N</string>
<integer builtin="formalCharge">1</integer>
<float builtin="x2">1.3758</float>
<float builtin="y2">0.0057</float>
</atom>
<atom id="a3">
<string builtin="elementType">C</string>
<float builtin="x2">-1.0857</float>
<float builtin="y2">-0.494</float>
</atom>
<atom id="a4">
<string builtin="elementType">C</string>
<float builtin="x2">0.7611</float>
<float builtin="y2">-1.3873</float>
</atom>
<atom id="a5">
<string builtin="elementType">C</string>
<float builtin="x2">2.7602</float>
<float builtin="y2">-0.606</float>
</atom>
<atom id="a6">
<string builtin="elementType">C</string>
<float builtin="x2">1.9876</float>
<float builtin="y2">1.3873</float>
</atom>
<atom id="a7">
<string builtin="elementType">O</string>
<float builtin="x2">-2.4672</float>
<float builtin="y2">0.1149</float>
</atom>
</atomArray>
<bondArray>
<bond id="b1">
<string builtin="atomRef">a1</string>
<string builtin="atomRef">a2</string>
<string builtin="order">1</string>
</bond>
<bond id="b2">
<string builtin="atomRef">a1</string>
<string builtin="atomRef">a3</string>
<string builtin="order">1</string>
</bond>
<bond id="b3">
<string builtin="atomRef">a2</string>
<string builtin="atomRef">a4</string>
<string builtin="order">1</string>
</bond>
<bond id="b4">
<string builtin="atomRef">a2</string>
<string builtin="atomRef">a5</string>
<string builtin="order">1</string>
</bond>
<bond id="b5">
<string builtin="atomRef">a2</string>
<string builtin="atomRef">a6</string>
<string builtin="order">1</string>
</bond>
<bond id="b6">
<string builtin="atomRef">a3</string>
<string builtin="atomRef">a7</string>
<string builtin="order">1</string>
</bond>
</bondArray>
</molecule>
(C) Æliens
20/2/2008
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