/usr/share/avogadro/fragments/alkenes/E-oct-4-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 | <?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_E-oct-4-ene">
<formula concise=" C 8 H 16 "/>
<identifier convention="iupac:inchi" value="1/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+"/>
<name convention="IUPAC">(E)-Oct-4-ene</name>
<atomArray>
<atom id="a1" elementType="C" x3="2.605821" y3="-0.045225" z3="1.520091"/>
<atom id="a2" elementType="C" x3="1.900019" y3="0.260076" z3="0.206516"/>
<atom id="a3" elementType="C" x3="0.424933" y3="0.317353" z3="0.390585"/>
<atom id="a4" elementType="C" x3="-0.428181" y3="-0.344451" z3="-0.391982"/>
<atom id="a5" elementType="C" x3="-1.903435" y3="-0.286789" z3="-0.209571"/>
<atom id="a6" elementType="C" x3="-2.602766" y3="0.071206" z3="-1.513333"/>
<atom id="a7" elementType="C" x3="-4.105149" y3="0.093991" z3="-1.345084"/>
<atom id="a8" elementType="H" x3="2.330784" y3="0.711219" z3="2.281875"/>
<atom id="a9" elementType="H" x3="2.248145" y3="-1.013910" z3="1.920812"/>
<atom id="a10" elementType="H" x3="2.182305" y3="-0.491926" z3="-0.558026"/>
<atom id="a11" elementType="H" x3="2.243162" y3="1.236211" z3="-0.193093"/>
<atom id="a12" elementType="H" x3="0.067477" y3="0.947626" z3="1.215200"/>
<atom id="a13" elementType="H" x3="-0.070855" y3="-0.974346" z3="-1.216931"/>
<atom id="a14" elementType="H" x3="-2.184899" y3="0.437430" z3="0.581669"/>
<atom id="a15" elementType="H" x3="-2.252691" y3="-1.275520" z3="0.151860"/>
<atom id="a16" elementType="H" x3="-2.320989" y3="-0.651779" z3="-2.304498"/>
<atom id="a17" elementType="H" x3="-2.245744" y3="1.056826" z3="-1.871051"/>
<atom id="a18" elementType="H" x3="-4.491915" y3="-0.883133" z3="-1.026239"/>
<atom id="a19" elementType="H" x3="-4.607234" y3="0.354561" z3="-2.285457"/>
<atom id="a20" elementType="H" x3="-4.417640" y3="0.829305" z3="-0.591611"/>
<atom id="a21" elementType="C" x3="4.107107" y3="-0.080020" z3="1.344152"/>
<atom id="a22" elementType="H" x3="4.614358" y3="-0.297933" z3="2.292589"/>
<atom id="a23" elementType="H" x3="4.494513" y3="0.879915" z3="0.977482"/>
<atom id="a24" elementType="H" x3="4.412871" y3="-0.850689" z3="0.624046"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a6 a7" order="1"/>
<bond atomRefs2="a1 a8" order="1"/>
<bond atomRefs2="a1 a9" order="1"/>
<bond atomRefs2="a2 a10" order="1"/>
<bond atomRefs2="a2 a11" order="1"/>
<bond atomRefs2="a3 a12" order="1"/>
<bond atomRefs2="a4 a13" order="1"/>
<bond atomRefs2="a5 a14" order="1"/>
<bond atomRefs2="a5 a15" order="1"/>
<bond atomRefs2="a6 a16" order="1"/>
<bond atomRefs2="a6 a17" order="1"/>
<bond atomRefs2="a7 a18" order="1"/>
<bond atomRefs2="a7 a19" order="1"/>
<bond atomRefs2="a7 a20" order="1"/>
<bond atomRefs2="a1 a21" order="1"/>
<bond atomRefs2="a21 a22" order="1"/>
<bond atomRefs2="a21 a23" order="1"/>
<bond atomRefs2="a21 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:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">122</scalar>
</property>
</propertyList>
</molecule>
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