Attachment 9930 Details for Bug 41338 – Пример фалйа .cml

Пример фалйа .cml

Morphine.cml (text/plain), 3.23 KB, created by Николай Пряхин on 2021-11-12 12:44:00 MSK

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Creator: Николай Пряхин

Created: 2021-11-12 12:44:00 MSK

Size: 3.23 KB

patch

obsolete

><?xml version="1.0" encoding="UTF-8"?>
><cml xmlns:cml="http://www.xml-cml.org/schema" title="Morphine">
>  <molecule>
>    <atomArray>
>      <atom id="a1" elementType="C" x2="11.784354632199999" y2="-3.7717524239800002"/>
>      <atom id="a10" elementType="C" x2="7.6564164231099996" y2="-6.9627175188899999"/>
>      <atom id="a11" elementType="C" x2="6.5137676884399998" y2="-7.6224442989499996"/>
>      <atom id="a12" elementType="C" x2="6.5137676884399998" y2="-8.94189306008"/>
>      <atom id="a13" elementType="C" x2="7.6564164231099996" y2="-9.6016278384800007"/>
>      <atom id="a14" elementType="C" x2="8.7990651577799994" y2="-8.94189306008"/>
>      <atom id="a15" elementType="O" x2="5.3013286698100002" y2="-9.6418914638499995"/>
>      <atom id="a16" elementType="O" x2="5.4047663552799996" y2="-6.3036498017399998"/>
>      <atom id="a17" elementType="C" x2="6.5137676884399998" y2="-4.9841930422800003"/>
>      <atom id="a18" elementType="C" x2="6.5137676884399998" y2="-3.6647346831399998"/>
>      <atom id="a19" elementType="C" x2="7.6564164231099996" y2="-3.0050159014200002"/>
>      <atom id="a2" elementType="N" x2="11.084362627100001" y2="-4.9841930422800003"/>
>      <atom id="a20" elementType="C" x2="8.7990651577799994" y2="-3.6647346831399998"/>
>      <atom id="a21" elementType="O" x2="5.3013286698100002" y2="-2.96475227605"/>
>      <atom id="a3" elementType="C" x2="11.084362627100001" y2="-6.3036498017399998"/>
>      <atom id="a4" elementType="C" x2="8.7990651577799994" y2="-6.3036498017399998"/>
>      <atom id="a5" elementType="C" x2="7.6564164231099996" y2="-5.64392142201"/>
>      <atom id="a6" elementType="C" x2="8.7990651577799994" y2="-4.9841930422800003"/>
>      <atom id="a7" elementType="C" x2="9.9417138924399993" y2="-5.64392142201"/>
>      <atom id="a8" elementType="C" x2="9.9417138924399993" y2="-6.9627175188899999"/>
>      <atom id="a9" elementType="C" x2="8.7990651577799994" y2="-7.6224442989499996"/>
>    </atomArray>
>    <bondArray>
>      <bond id="b1" atomRefs2="a1 a2" order="1"/>
>      <bond id="b10" atomRefs2="a9 a10" order="2"/>
>      <bond id="b11" atomRefs2="a5 a10" order="1"/>
>      <bond id="b12" atomRefs2="a10 a11" order="1"/>
>      <bond id="b13" atomRefs2="a11 a12" order="2"/>
>      <bond id="b14" atomRefs2="a12 a13" order="1"/>
>      <bond id="b15" atomRefs2="a13 a14" order="2"/>
>      <bond id="b16" atomRefs2="a9 a14" order="1"/>
>      <bond id="b17" atomRefs2="a12 a15" order="1"/>
>      <bond id="b18" atomRefs2="a11 a16" order="1"/>
>      <bond id="b19" atomRefs2="a16 a17" order="1"/>
>      <bond id="b2" atomRefs2="a2 a3" order="1"/>
>      <bond id="b20" atomRefs2="a5 a17" order="1"/>
>      <bond id="b21" atomRefs2="a17 a18" order="1"/>
>      <bond id="b22" atomRefs2="a18 a19" order="1"/>
>      <bond id="b23" atomRefs2="a19 a20" order="2"/>
>      <bond id="b24" atomRefs2="a6 a20" order="1"/>
>      <bond id="b25" atomRefs2="a18 a21" order="1"/>
>      <bond id="b3" atomRefs2="a3 a4" order="1"/>
>      <bond id="b4" atomRefs2="a4 a5" order="1"/>
>      <bond id="b5" atomRefs2="a5 a6" order="1"/>
>      <bond id="b6" atomRefs2="a6 a7" order="1"/>
>      <bond id="b7" atomRefs2="a2 a7" order="1"/>
>      <bond id="b8" atomRefs2="a7 a8" order="1"/>
>      <bond id="b9" atomRefs2="a8 a9" order="1"/>
>    </bondArray>
>  </molecule>
></cml>

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Attachments on bug 41338: 9930