/usr/share/avogadro/fragments/alkenes/Z-oct-2-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_Z-oct-2-ene">
<formula concise=" C 8 H 16 "/>
<identifier convention="iupac:inchi" value="1/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-"/>
<name convention="IUPAC">(Z)-Oct-2-ene</name>
<atomArray>
<atom id="a1" elementType="C" x3="-1.946466" y3="0.027480" z3="1.334385"/>
<atom id="a2" elementType="C" x3="-0.996673" y3="-0.066529" z3="0.195602"/>
<atom id="a3" elementType="C" x3="-3.273923" y3="-0.025849" z3="1.196584"/>
<atom id="a4" elementType="C" x3="-3.964232" y3="-0.181645" z3="-0.102197"/>
<atom id="a5" elementType="C" x3="0.449274" y3="0.092706" z3="0.639466"/>
<atom id="a6" elementType="C" x3="1.401244" y3="-0.008898" z3="-0.541239"/>
<atom id="a7" elementType="C" x3="2.847590" y3="0.158330" z3="-0.103513"/>
<atom id="a8" elementType="C" x3="3.796693" y3="0.052427" z3="-1.275706"/>
<atom id="a9" elementType="H" x3="-1.506394" y3="0.145472" z3="2.332201"/>
<atom id="a10" elementType="H" x3="-1.250560" y3="0.703646" z3="-0.563184"/>
<atom id="a11" elementType="H" x3="-1.134164" y3="-1.041900" z3="-0.317344"/>
<atom id="a12" elementType="H" x3="-3.913828" y3="0.049688" z3="2.083090"/>
<atom id="a13" elementType="H" x3="-3.627807" y3="-1.087373" z3="-0.627258"/>
<atom id="a14" elementType="H" x3="-3.759664" y3="0.672584" z3="-0.763862"/>
<atom id="a15" elementType="H" x3="-5.051881" y3="-0.253865" z3="0.018861"/>
<atom id="a16" elementType="H" x3="0.700893" y3="-0.677713" z3="1.395856"/>
<atom id="a17" elementType="H" x3="0.582981" y3="1.066696" z3="1.151627"/>
<atom id="a18" elementType="H" x3="1.146190" y3="0.756883" z3="-1.301381"/>
<atom id="a19" elementType="H" x3="1.271471" y3="-0.985582" z3="-1.049680"/>
<atom id="a20" elementType="H" x3="3.101000" y3="-0.605351" z3="0.658593"/>
<atom id="a21" elementType="H" x3="2.977484" y3="1.136124" z3="0.401785"/>
<atom id="a22" elementType="H" x3="4.839314" y3="0.176780" z3="-0.956595"/>
<atom id="a23" elementType="H" x3="3.591740" y3="0.819948" z3="-2.033900"/>
<atom id="a24" elementType="H" x3="3.719715" y3="-0.924059" z3="-1.772192"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="2"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a2 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="a2 a10" order="1"/>
<bond atomRefs2="a2 a11" order="1"/>
<bond atomRefs2="a3 a12" order="1"/>
<bond atomRefs2="a4 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:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">126</scalar>
</property>
</propertyList>
</molecule>
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