/usr/share/avogadro/fragments/alkenes/oct-1-ene.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 | <?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_oct-1-ene">
<formula concise=" C 8 H 16 "/>
<identifier convention="iupac:inchi" value="1/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3"/>
<name convention="IUPAC">Oct-1-ene</name>
<atomArray>
<atom id="a1" elementType="C" x3="4.206433" y3="0.447717" z3="1.654831"/>
<atom id="a2" elementType="C" x3="3.099868" y3="-0.278589" z3="1.552761"/>
<atom id="a3" elementType="C" x3="2.248133" y3="-0.297430" z3="0.332568"/>
<atom id="a4" elementType="C" x3="0.780985" y3="-0.098859" z3="0.684130"/>
<atom id="a5" elementType="C" x3="-0.093342" y3="-0.144344" z3="-0.558534"/>
<atom id="a6" elementType="C" x3="-1.560735" y3="0.042577" z3="-0.208812"/>
<atom id="a7" elementType="C" x3="-2.436066" y3="0.005049" z3="-1.451344"/>
<atom id="a8" elementType="C" x3="-3.897136" y3="0.182948" z3="-1.105147"/>
<atom id="a9" elementType="H" x3="4.828984" y3="0.444310" z3="2.544191"/>
<atom id="a10" elementType="H" x3="4.570522" y3="1.094333" z3="0.860901"/>
<atom id="a11" elementType="H" x3="2.763634" y3="-0.915769" z3="2.379979"/>
<atom id="a12" elementType="H" x3="2.390255" y3="-1.270687" z3="-0.180112"/>
<atom id="a13" elementType="H" x3="2.572540" y3="0.474454" z3="-0.394569"/>
<atom id="a14" elementType="H" x3="0.646584" y3="0.868590" z3="1.207555"/>
<atom id="a15" elementType="H" x3="0.454472" y3="-0.874943" z3="1.405509"/>
<atom id="a16" elementType="H" x3="0.049695" y3="-1.108520" z3="-1.087048"/>
<atom id="a17" elementType="H" x3="0.227309" y3="0.637567" z3="-1.276304"/>
<atom id="a18" elementType="H" x3="-1.704080" y3="1.003774" z3="0.324970"/>
<atom id="a19" elementType="H" x3="-1.883551" y3="-0.743070" z3="0.503868"/>
<atom id="a20" elementType="H" x3="-2.288288" y3="-0.953693" z3="-1.987288"/>
<atom id="a21" elementType="H" x3="-2.116427" y3="0.793874" z3="-2.161190"/>
<atom id="a22" elementType="H" x3="-4.254039" y3="-0.610341" z3="-0.434740"/>
<atom id="a23" elementType="H" x3="-4.525411" y3="0.159481" z3="-2.004649"/>
<atom id="a24" elementType="H" x3="-4.080339" y3="1.141569" z3="-0.601525"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a6 a7" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a1 a9" order="1"/>
<bond atomRefs2="a1 a10" order="1"/>
<bond atomRefs2="a2 a11" order="1"/>
<bond atomRefs2="a3 a12" order="1"/>
<bond atomRefs2="a3 a13" order="1"/>
<bond atomRefs2="a4 a14" order="1"/>
<bond atomRefs2="a4 a15" order="1"/>
<bond atomRefs2="a5 a16" order="1"/>
<bond atomRefs2="a5 a17" order="1"/>
<bond atomRefs2="a6 a18" order="1"/>
<bond atomRefs2="a6 a19" order="1"/>
<bond atomRefs2="a7 a20" order="1"/>
<bond atomRefs2="a7 a21" order="1"/>
<bond atomRefs2="a8 a22" order="1"/>
<bond atomRefs2="a8 a23" order="1"/>
<bond atomRefs2="a8 a24" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">112.2126</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">112.1252005</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-101</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">123</scalar>
</property>
</propertyList>
</molecule>
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