/usr/share/avogadro/fragments/alkenes/E-hept-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 | <?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-hept-2-ene">
<formula concise=" C 7 H 14 "/>
<identifier convention="iupac:inchi" value="1/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+"/>
<name convention="IUPAC">(E)-Hept-2-ene</name>
<atomArray>
<atom id="a1" elementType="C" x3="3.700018" y3="0.223820" z3="1.076176"/>
<atom id="a2" elementType="C" x3="2.233657" y3="0.282954" z3="1.263508"/>
<atom id="a3" elementType="C" x3="1.374111" y3="-0.385733" z3="0.493304"/>
<atom id="a4" elementType="C" x3="-0.098533" y3="-0.340583" z3="0.698370"/>
<atom id="a5" elementType="C" x3="-0.826799" y3="-0.077456" z3="-0.611606"/>
<atom id="a6" elementType="C" x3="-2.334028" y3="-0.061637" z3="-0.412583"/>
<atom id="a7" elementType="C" x3="-3.061046" y3="0.191414" z3="-1.713882"/>
<atom id="a8" elementType="H" x3="4.106791" y3="1.228616" z3="0.899543"/>
<atom id="a9" elementType="H" x3="3.998994" y3="-0.408165" z3="0.229332"/>
<atom id="a10" elementType="H" x3="4.186762" y3="-0.176021" z3="1.975995"/>
<atom id="a11" elementType="H" x3="1.879876" y3="0.915867" z3="2.087140"/>
<atom id="a12" elementType="H" x3="1.725800" y3="-1.015057" z3="-0.334416"/>
<atom id="a13" elementType="H" x3="-0.377459" y3="0.427359" z3="1.448283"/>
<atom id="a14" elementType="H" x3="-0.422874" y3="-1.310489" z3="1.128044"/>
<atom id="a15" elementType="H" x3="-0.553123" y3="-0.847636" z3="-1.360635"/>
<atom id="a16" elementType="H" x3="-0.491821" y3="0.887073" z3="-1.042046"/>
<atom id="a17" elementType="H" x3="-2.608012" y3="0.713198" z3="0.330928"/>
<atom id="a18" elementType="H" x3="-2.666292" y3="-1.023816" z3="0.025701"/>
<atom id="a19" elementType="H" x3="-2.840669" y3="-0.585066" z3="-2.458538"/>
<atom id="a20" elementType="H" x3="-2.776862" y3="1.155784" z3="-2.155726"/>
<atom id="a21" elementType="H" x3="-4.148490" y3="0.205574" z3="-1.566893"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="2"/>
<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="a1 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="a4 a13" order="1"/>
<bond atomRefs2="a4 a14" order="1"/>
<bond atomRefs2="a5 a15" order="1"/>
<bond atomRefs2="a5 a16" order="1"/>
<bond atomRefs2="a6 a17" order="1"/>
<bond atomRefs2="a6 a18" order="1"/>
<bond atomRefs2="a7 a19" order="1"/>
<bond atomRefs2="a7 a20" order="1"/>
<bond atomRefs2="a7 a21" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">98.1861</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">98.1095504</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">98</scalar>
</property>
</propertyList>
</molecule>
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