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
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
|
<?xml version="1.0"?>
<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" version="ChemAxon file format v18.11.0, generated by vunknown" xsi:schemaLocation="http://www.chemaxon.com http://www.chemaxon.com/marvin/schema/mrvSchema_18_11_0.xsd">
<MDocument>
<MChemicalStruct>
<reaction>
<arrow type="DEFAULT" x1="-2.25" y1="-0.22916666666666666" x2="3.208333333333334" y2="-0.22916666666666666"/>
<reactantList>
<molecule molID="m1">
<atomArray>
<atom id="a1" elementType="C" x2="-12.958333333333334" y2="3.3958333333333335"/>
</atomArray>
<bondArray/>
</molecule>
<molecule molID="m2">
<atomArray>
<atom id="a1" elementType="C" x2="-6.208426666665918" y2="-2.105740012320748"/>
<atom id="a2" elementType="C" x2="-7.541973322664212" y2="-2.875740006160747"/>
<atom id="a3" elementType="C" x2="-7.541973322664212" y2="-4.415926660505921"/>
<atom id="a4" elementType="C" x2="-6.208426666665918" y2="-5.185926654345921"/>
<atom id="a5" elementType="C" x2="-4.874693344002454" y2="-4.415926660505921"/>
<atom id="a6" elementType="C" x2="-4.874693344002454" y2="-2.875740006160747"/>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a1 a2" order="2"/>
<bond id="b2" atomRefs2="a2 a3" order="1"/>
<bond id="b3" atomRefs2="a3 a4" order="2"/>
<bond id="b4" atomRefs2="a4 a5" order="1"/>
<bond id="b5" atomRefs2="a5 a6" order="2"/>
<bond id="b6" atomRefs2="a6 a1" order="1"/>
</bondArray>
</molecule>
</reactantList>
<agentList/>
<productList>
<molecule molID="m3">
<atomArray>
<atom id="a1" elementType="C" x2="8.416573333334082" y2="-1.18907334565408"/>
<atom id="a2" elementType="C" x2="7.083026677335788" y2="-1.9590733394940791"/>
<atom id="a3" elementType="C" x2="7.083026677335788" y2="-3.499259993839253"/>
<atom id="a4" elementType="C" x2="8.416573333334082" y2="-4.269259987679253"/>
<atom id="a5" elementType="C" x2="9.750306655997546" y2="-3.499259993839253"/>
<atom id="a6" elementType="C" x2="9.750306655997546" y2="-1.9590733394940791"/>
<atom id="a7" elementType="C" x2="8.577547166766267" y2="0.34249037321306086"/>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a1 a2" order="2"/>
<bond id="b2" atomRefs2="a2 a3" order="1"/>
<bond id="b3" atomRefs2="a3 a4" order="2"/>
<bond id="b4" atomRefs2="a4 a5" order="1"/>
<bond id="b5" atomRefs2="a5 a6" order="2"/>
<bond id="b6" atomRefs2="a6 a1" order="1"/>
<bond id="b7" atomRefs2="a1 a7" order="1"/>
</bondArray>
</molecule>
</productList>
</reaction>
</MChemicalStruct>
</MDocument>
</cml>
|
