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<?xml version="1.0" encoding="UTF-8"?>
<cml convention="cmlDict:cmllite" xmlns="http://www.xml-cml.org/schema" xmlns:cmlDict="http://www.xml-cml.org/dictionary/cml/" xmlns:nameDict="http://www.xml-cml.org/dictionary/cml/name/">
<molecule id="m1">
<name dictRef="nameDict:unknown">1,3-Dimethyl-2,6-dioxo-7H-purin-9-ium chloride monohydrate</name>
<atomArray>
<atom id="a1" elementType="C">
<label value="1" dictRef="cmlDict:locant"/>
<label value="C" dictRef="cmlDict:locant"/>
</atom>
<atom id="a16" elementType="H"/>
<atom id="a17" elementType="H"/>
<atom id="a18" elementType="H"/>
<atom id="a2" elementType="O" hydrogenCount="0">
<label value="O" dictRef="cmlDict:locant"/>
</atom>
<atom id="a3" elementType="N" hydrogenCount="0">
<label value="1" dictRef="cmlDict:locant"/>
<label value="N" dictRef="cmlDict:locant"/>
</atom>
<atom id="a4" elementType="C" hydrogenCount="0">
<label value="2" dictRef="cmlDict:locant"/>
</atom>
<atom id="a5" elementType="N" hydrogenCount="0">
<label value="3" dictRef="cmlDict:locant"/>
<label value="N'" dictRef="cmlDict:locant"/>
</atom>
<atom id="a6" elementType="C" hydrogenCount="0">
<label value="4" dictRef="cmlDict:locant"/>
</atom>
<atom id="a7" elementType="N" formalCharge="1">
<label value="9" dictRef="cmlDict:locant"/>
<label value="N''" dictRef="cmlDict:locant"/>
</atom>
<atom id="a8" elementType="C">
<label value="8" dictRef="cmlDict:locant"/>
</atom>
<atom id="a9" elementType="N">
<label value="7" dictRef="cmlDict:locant"/>
<label value="N'''" dictRef="cmlDict:locant"/>
</atom>
<atom id="a10" elementType="C" hydrogenCount="0">
<label value="5" dictRef="cmlDict:locant"/>
</atom>
<atom id="a11" elementType="C" hydrogenCount="0">
<label value="6" dictRef="cmlDict:locant"/>
</atom>
<atom id="a19" elementType="H"/>
<atom id="a20" elementType="H"/>
<atom id="a21" elementType="H"/>
<atom id="a12" elementType="Cl" formalCharge="-1" hydrogenCount="0">
<label value="Cl" dictRef="cmlDict:locant"/>
</atom>
<atom id="a13" elementType="O">
<label value="O" dictRef="cmlDict:locant"/>
</atom>
<atom id="a22" elementType="H"/>
<atom id="a23" elementType="H"/>
<atom id="a14" elementType="O" hydrogenCount="0">
<label value="O'" dictRef="cmlDict:locant"/>
</atom>
<atom id="a15" elementType="C">
<label value="1'" dictRef="cmlDict:locant"/>
<label value="C'" dictRef="cmlDict:locant"/>
</atom>
<atom id="a24" elementType="H"/>
<atom id="a25" elementType="H"/>
<atom id="a26" elementType="H"/>
</atomArray>
<bondArray>
<bond id="a1_a16" atomRefs2="a1 a16" order="S"/>
<bond id="a1_a17" atomRefs2="a1 a17" order="S"/>
<bond id="a1_a18" atomRefs2="a1 a18" order="S"/>
<bond id="a3_a4" atomRefs2="a3 a4" order="S"/>
<bond id="a4_a5" atomRefs2="a4 a5" order="S"/>
<bond id="a5_a6" atomRefs2="a5 a6" order="S"/>
<bond id="a6_a7" atomRefs2="a6 a7" order="S"/>
<bond id="a7_a8" atomRefs2="a7 a8" order="D"/>
<bond id="a8_a9" atomRefs2="a8 a9" order="S"/>
<bond id="a9_a10" atomRefs2="a9 a10" order="S"/>
<bond id="a6_a10" atomRefs2="a6 a10" order="D"/>
<bond id="a10_a11" atomRefs2="a10 a11" order="S"/>
<bond id="a3_a11" atomRefs2="a3 a11" order="S"/>
<bond id="a7_a19" atomRefs2="a7 a19" order="S"/>
<bond id="a8_a20" atomRefs2="a8 a20" order="S"/>
<bond id="a9_a21" atomRefs2="a9 a21" order="S"/>
<bond id="a2_a4" atomRefs2="a2 a4" order="D"/>
<bond id="a1_a3" atomRefs2="a1 a3" order="S"/>
<bond id="a13_a22" atomRefs2="a13 a22" order="S"/>
<bond id="a13_a23" atomRefs2="a13 a23" order="S"/>
<bond id="a14_a11" atomRefs2="a14 a11" order="D"/>
<bond id="a15_a24" atomRefs2="a15 a24" order="S"/>
<bond id="a15_a25" atomRefs2="a15 a25" order="S"/>
<bond id="a15_a26" atomRefs2="a15 a26" order="S"/>
<bond id="a15_a5" atomRefs2="a15 a5" order="S"/>
</bondArray>
</molecule>
</cml>
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