/usr/share/avogadro/fragments/aromatics/quinazoline.cml is in avogadro-data 1.2.0-3.
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 58 59 60 61 62 | <?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_quinazoline">
<formula concise=" C 8 H 6 N 2 "/>
<identifier convention="iupac:inchi" value="1/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H"/>
<name convention="IUPAC">Quinazoline</name>
<atomArray>
<atom id="a1" elementType="C" x3="2.180598" y3="0.589525" z3="0.008666"/>
<atom id="a2" elementType="C" x3="2.058938" y3="-0.817560" z3="0.010576"/>
<atom id="a3" elementType="C" x3="0.822748" y3="-1.413277" z3="0.006117"/>
<atom id="a4" elementType="C" x3="-0.340981" y3="-0.610714" z3="-0.000450"/>
<atom id="a5" elementType="C" x3="1.068531" y3="1.394310" z3="0.002317"/>
<atom id="a6" elementType="C" x3="-0.217035" y3="0.794504" z3="-0.002345"/>
<atom id="a7" elementType="N" x3="-2.725053" y3="-0.369964" z3="-0.011472"/>
<atom id="a8" elementType="N" x3="-1.362896" y3="1.594685" z3="-0.008834"/>
<atom id="a9" elementType="C" x3="-1.663773" y3="-1.158369" z3="-0.005373"/>
<atom id="a10" elementType="H" x3="3.181717" y3="1.034445" z3="0.012339"/>
<atom id="a11" elementType="H" x3="2.966981" y3="-1.429873" z3="0.015675"/>
<atom id="a12" elementType="H" x3="0.718282" y3="-2.504057" z3="0.007554"/>
<atom id="a13" elementType="H" x3="1.159020" y3="2.486957" z3="0.000813"/>
<atom id="a14" elementType="H" x3="-1.839134" y3="-2.241272" z3="-0.004266"/>
<atom id="a15" elementType="C" x3="-2.551800" y3="1.013841" z3="-0.013108"/>
<atom id="a16" elementType="H" x3="-3.456144" y3="1.636818" z3="-0.018209"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a5 a6" order="2"/>
<bond atomRefs2="a6 a4" order="1"/>
<bond atomRefs2="a6 a8" order="1"/>
<bond atomRefs2="a4 a9" order="1"/>
<bond atomRefs2="a9 a7" order="2"/>
<bond atomRefs2="a1 a10" order="1"/>
<bond atomRefs2="a2 a11" order="1"/>
<bond atomRefs2="a3 a12" order="1"/>
<bond atomRefs2="a5 a13" order="1"/>
<bond atomRefs2="a9 a14" order="1"/>
<bond atomRefs2="a8 a15" order="2"/>
<bond atomRefs2="a15 a7" order="1"/>
<bond atomRefs2="a15 a16" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">130.1466</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">130.0530982</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">48</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">243</scalar>
</property>
</propertyList>
</molecule>
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