/usr/share/avogadro/fragments/aromatics/aniline.cml is in avogadro-data 1.0.3-1ubuntu4.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 | <?xml version="1.0" encoding="UTF-8"?>
<molecule xmlns="http://www.xml-cml.org/schema"
xmlns:cml="http://www.xml-cml.org/dict/cml"
xmlns:units="http://www.xml-cml.org/units/units"
xmlns:xsd="http://www.w3c.org/2001/XMLSchema"
xmlns:iupac="http://www.iupac.org"
id="CS_aniline">
<formula concise=" C 6 H 7 N 1 "/>
<identifier convention="iupac:inchi" value="1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2"/>
<name convention="IUPAC">Aniline</name>
<atomArray>
<atom id="a1" elementType="H" x3="1.525134" y3="-0.094321" z3="2.545371"/>
<atom id="a2" elementType="C" x3="0.962100" y3="-0.047689" z3="1.608117"/>
<atom id="a3" elementType="C" x3="-0.425141" y3="-0.147359" z3="1.622784"/>
<atom id="a4" elementType="H" x3="-0.953203" y3="-0.272727" z3="2.573789"/>
<atom id="a5" elementType="C" x3="-1.147360" y3="-0.088705" z3="0.438236"/>
<atom id="a6" elementType="H" x3="-2.240531" y3="-0.167556" z3="0.465966"/>
<atom id="a7" elementType="C" x3="-0.473245" y3="0.075205" z3="-0.780136"/>
<atom id="a8" elementType="N" x3="-1.214487" y3="0.243617" z3="-1.991371"/>
<atom id="a9" elementType="H" x3="-2.092758" y3="-0.224026" z3="-1.951311"/>
<atom id="a10" elementType="H" x3="-0.689745" y3="-0.048474" z3="-2.785743"/>
<atom id="a11" elementType="C" x3="0.925442" y3="0.172009" z3="-0.794175"/>
<atom id="a12" elementType="H" x3="1.467417" y3="0.298829" z3="-1.738733"/>
<atom id="a13" elementType="C" x3="1.632135" y3="0.111364" z3="0.399576"/>
<atom id="a14" elementType="H" x3="2.724247" y3="0.189833" z3="0.387632"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="2"/>
<bond atomRefs2="a2 a13" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a3 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a5 a7" order="2"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a7 a11" order="1"/>
<bond atomRefs2="a8 a9" order="1"/>
<bond atomRefs2="a8 a10" order="1"/>
<bond atomRefs2="a11 a12" order="1"/>
<bond atomRefs2="a11 a13" order="2"/>
<bond atomRefs2="a13 a14" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">93.1265</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">93.0578492</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-6</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">184</scalar>
</property>
</propertyList>
</molecule>
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