/usr/share/avogadro/fragments/aromatics/9H-xanthene.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 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 | <?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_9H-xanthene">
<formula concise=" C 13 H 10 O 1 "/>
<identifier convention="iupac:inchi" value="1/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2"/>
<name convention="IUPAC">9H-Xanthene</name>
<atomArray>
<atom id="a1" elementType="C" x3="3.603270" y3="0.830852" z3="0.060516"/>
<atom id="a2" elementType="C" x3="3.635880" y3="-0.560756" z3="0.003855"/>
<atom id="a3" elementType="C" x3="2.453405" y3="-1.287547" z3="-0.034497"/>
<atom id="a4" elementType="C" x3="1.219966" y3="-0.634296" z3="-0.016943"/>
<atom id="a5" elementType="C" x3="2.390816" y3="1.505587" z3="0.079237"/>
<atom id="a6" elementType="C" x3="1.201678" y3="0.763790" z3="0.040129"/>
<atom id="a7" elementType="C" x3="-0.044042" y3="-1.421777" z3="-0.058834"/>
<atom id="a8" elementType="C" x3="-1.256865" y3="-0.556862" z3="-0.031993"/>
<atom id="a9" elementType="O" x3="0.047248" y3="1.524634" z3="0.062822"/>
<atom id="a10" elementType="C" x3="-1.152048" y3="0.837387" z3="0.025883"/>
<atom id="a11" elementType="C" x3="-2.528325" y3="-1.131906" z3="-0.064795"/>
<atom id="a12" elementType="C" x3="-3.663555" y3="-0.332746" z3="-0.040447"/>
<atom id="a13" elementType="C" x3="-3.544848" y3="1.054103" z3="0.017186"/>
<atom id="a14" elementType="C" x3="-2.292973" y3="1.651991" z3="0.050914"/>
<atom id="a15" elementType="H" x3="4.539816" y3="1.397495" z3="0.090500"/>
<atom id="a16" elementType="H" x3="4.597535" y3="-1.083696" z3="-0.010394"/>
<atom id="a17" elementType="H" x3="2.479955" y3="-2.382015" z3="-0.079039"/>
<atom id="a18" elementType="H" x3="2.362749" y3="2.600150" z3="0.123797"/>
<atom id="a19" elementType="H" x3="-0.071279" y3="-2.125871" z3="0.798208"/>
<atom id="a20" elementType="H" x3="-2.622587" y3="-2.222580" z3="-0.110115"/>
<atom id="a21" elementType="H" x3="-4.655843" y3="-0.794395" z3="-0.066624"/>
<atom id="a22" elementType="H" x3="-4.444550" y3="1.677983" z3="0.036090"/>
<atom id="a23" elementType="H" x3="-2.197180" y3="2.742677" z3="0.096258"/>
<atom id="a24" elementType="H" x3="-0.058225" y3="-2.052201" z3="-0.971711"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a5 a6" order="2"/>
<bond atomRefs2="a6 a4" order="1"/>
<bond atomRefs2="a4 a7" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a6 a9" order="1"/>
<bond atomRefs2="a9 a10" order="1"/>
<bond atomRefs2="a10 a8" order="2"/>
<bond atomRefs2="a8 a11" order="1"/>
<bond atomRefs2="a11 a12" order="2"/>
<bond atomRefs2="a12 a13" order="1"/>
<bond atomRefs2="a10 a14" order="1"/>
<bond atomRefs2="a14 a13" order="2"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a1 a15" order="1"/>
<bond atomRefs2="a2 a16" order="1"/>
<bond atomRefs2="a3 a17" order="1"/>
<bond atomRefs2="a5 a18" order="1"/>
<bond atomRefs2="a7 a19" order="1"/>
<bond atomRefs2="a11 a20" order="1"/>
<bond atomRefs2="a12 a21" order="1"/>
<bond atomRefs2="a13 a22" order="1"/>
<bond atomRefs2="a14 a23" order="1"/>
<bond atomRefs2="a7 a24" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">182.2179</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">182.0731649</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">100</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">311</scalar>
</property>
</propertyList>
</molecule>
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