/usr/share/avogadro/fragments/aromatics/1H-indole.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_1H-indole">
<formula concise=" C 8 H 7 N 1 "/>
<identifier convention="iupac:inchi" value="1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H"/>
<name convention="IUPAC">1H-Indole</name>
<atomArray>
<atom id="a1" elementType="C" x3="2.200612" y3="-0.051701" z3="0.019891"/>
<atom id="a2" elementType="C" x3="1.712860" y3="-1.373841" z3="0.075318"/>
<atom id="a3" elementType="C" x3="0.360768" y3="-1.643904" z3="0.076671"/>
<atom id="a4" elementType="C" x3="-0.533757" y3="-0.566127" z3="0.021175"/>
<atom id="a5" elementType="C" x3="1.348104" y3="1.030043" z3="-0.035471"/>
<atom id="a6" elementType="C" x3="-0.029660" y3="0.762154" z3="-0.034429"/>
<atom id="a7" elementType="C" x3="-1.967611" y3="-0.486841" z3="0.006185"/>
<atom id="a8" elementType="C" x3="-2.316468" y3="0.846250" z3="-0.056455"/>
<atom id="a9" elementType="H" x3="3.283422" y3="0.111055" z3="0.021228"/>
<atom id="a10" elementType="H" x3="2.432478" y3="-2.197765" z3="0.118001"/>
<atom id="a11" elementType="H" x3="-0.018777" y3="-2.669025" z3="0.119611"/>
<atom id="a12" elementType="H" x3="1.725323" y3="2.055997" z3="-0.078538"/>
<atom id="a13" elementType="H" x3="-2.643608" y3="-1.337062" z3="0.038929"/>
<atom id="a14" elementType="H" x3="-3.311586" y3="1.289951" z3="-0.084313"/>
<atom id="a15" elementType="N" x3="-1.141064" y3="1.623248" z3="-0.081901"/>
<atom id="a16" elementType="H" x3="-1.101037" y3="2.607569" z3="-0.125903"/>
</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="a4 a7" order="1"/>
<bond atomRefs2="a8 a7" order="2"/>
<bond atomRefs2="a1 a9" order="1"/>
<bond atomRefs2="a2 a10" order="1"/>
<bond atomRefs2="a3 a11" order="1"/>
<bond atomRefs2="a5 a12" order="1"/>
<bond atomRefs2="a7 a13" order="1"/>
<bond atomRefs2="a8 a14" order="1"/>
<bond atomRefs2="a6 a15" order="1"/>
<bond atomRefs2="a15 a8" 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">117.1479</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">117.0578492</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">52</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">254</scalar>
</property>
</propertyList>
</molecule>
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