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
|
<?xml version="1.0"?>
<cml xmlns="http://www.xml-cml.org/schema">
<molecule>
<atomArray>
<atom elementType="C" id="a7135" x2="13.1282" y2="-7.48044"/>
<atom elementType="C" id="a7137" x2="11.6052" y2="-7.48044"/>
<atom elementType="N" formalCharge="1" hydrogenCount="0" id="a7139" x2="11.1346" y2="-8.9289"/>
<atom elementType="C" id="a7141" x2="12.3667" y2="-9.82409"/>
<atom elementType="N" hydrogenCount="0" id="a7143" x2="13.5988" y2="-8.9289"/>
<atom elementType="R" id="a7150" x2="15.07" y2="-9.32308"/>
<atom elementType="R" id="a7152" x2="9.66348" y2="-9.32308"/>
<atom elementType="C" hydrogenCount="3" id="a7208" x2="12.3667" y2="-11.3471"/>
</atomArray>
<bondArray>
<bond atomRefs2="a7135 a7137" id="b7145" order="2"/>
<bond atomRefs2="a7137 a7139" id="b7146" order="1"/>
<bond atomRefs2="a7139 a7141" id="b7147" order="A"/>
<bond atomRefs2="a7141 a7143" id="b7148" order="A"/>
<bond atomRefs2="a7143 a7135" id="b7149" order="1"/>
<bond atomRefs2="a7143 a7150" id="b7151" order="1"/>
<bond atomRefs2="a7139 a7152" id="b7153" order="1"/>
<bond atomRefs2="a7141 a7208" id="b7209" order="1"/>
</bondArray>
</molecule>
<molecule>
<atomArray>
<atom elementType="R" id="a7171" x2="19.1242" y2="-9.35973"/>
</atomArray>
</molecule>
</cml>
|
