1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
|
<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" version="ChemAxon file format v20.20.0, generated by vunknown" xsi:schemaLocation="http://www.chemaxon.com http://www.chemaxon.com/marvin/schema/mrvSchema_20_20_0.xsd">
<MDocument xmlns="">
<MChemicalStruct>
<molecule molID="m1">
<atomArray>
<atom id="a1" elementType="C" x2="-1.0095844913646546" y2="7.462500632135815" sgroupRef="sg1"/>
<atom id="a2" elementType="*" x2="-2.3086451227400704" y2="6.712499367864186"/>
<atom id="a3" elementType="C" x2="0.2894761400107614" y2="6.712499367864186" sgroupRef="sg1"/>
<atom id="a4" elementType="C" x2="0.2894761400107614" y2="5.212496839320931" sgroupRef="sg1"/>
<atom id="a5" elementType="C" x2="1.5884393686245835" y2="7.462500632135815" sgroupRef="sg2"/>
<atom id="a6" elementType="C" x2="1.5884393686245835" y2="8.96250316067907" sgroupRef="sg2"/>
<atom id="a7" elementType="C" x2="2.8874999999999993" y2="6.712499367864186" sgroupRef="sg2"/>
<atom id="a8" elementType="O" x2="2.8874999999999993" y2="5.212496839320931" sgroupRef="sg2"/>
<atom id="a9" elementType="C" x2="4.186560631375416" y2="7.462500632135815"/>
<atom id="a10" elementType="C" x2="5.485621262750833" y2="6.712499367864186" sgroupRef="sg3"/>
<atom id="a11" elementType="O" x2="6.784681894126249" y2="7.462500632135815" sgroupRef="sg3"/>
<atom id="a12" elementType="*" x2="8.083645122740071" y2="6.712499367864186"/>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a2 a1" order="1"/>
<bond id="b2" atomRefs2="a1 a3" order="1"/>
<bond id="b3" atomRefs2="a3 a4" order="1"/>
<bond id="b4" atomRefs2="a3 a5" order="1"/>
<bond id="b5" atomRefs2="a5 a6" order="1"/>
<bond id="b6" atomRefs2="a5 a7" order="1"/>
<bond id="b7" atomRefs2="a7 a9" order="1"/>
<bond id="b8" atomRefs2="a7 a8" order="1"/>
<bond id="b9" atomRefs2="a9 a10" order="1"/>
<bond id="b10" atomRefs2="a10 a11" order="1"/>
<bond id="b11" atomRefs2="a11 a12" order="1"/>
</bondArray>
<molecule molID="m2" id="sg1" role="SruSgroup" atomRefs="asdfasd a3 a4" title="n" connect="ht" correspondence="" bondList=""/>
<molecule molID="m3" id="sg2" role="SruSgroup" atomRefs="a5 a6 a7 a8" title="n" connect="hh" correspondence="" bondList=""/>
<molecule molID="m4" id="sg3" role="SruSgroup" atomRefs="a10 a11" title="n" connect="eu" correspondence="" bondList=""/></molecule>
</MChemicalStruct>
</MDocument>
</cml>
|
