/usr/share/avogadro/fragments/alkenes/Z-pent-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 | <?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-pent-2-ene">
<formula concise=" C 5 H 10 "/>
<identifier convention="iupac:inchi" value="1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-"/>
<name convention="IUPAC">(Z)-Pent-2-ene</name>
<atomArray>
<atom id="a1" elementType="H" x3="0.383064" y3="0.097942" z3="1.791824"/>
<atom id="a2" elementType="C" x3="-0.082290" y3="0.042123" z3="0.799481"/>
<atom id="a3" elementType="C" x3="0.851277" y3="0.052480" z3="-0.358477"/>
<atom id="a4" elementType="C" x3="-1.411574" y3="-0.027526" z3="0.705336"/>
<atom id="a5" elementType="H" x3="-2.015328" y3="-0.031040" z3="1.621418"/>
<atom id="a6" elementType="C" x3="-2.181755" y3="-0.110020" z3="-0.553899"/>
<atom id="a7" elementType="H" x3="0.660239" y3="-0.831804" z3="-1.000096"/>
<atom id="a8" elementType="C" x3="2.300356" y3="0.067074" z3="0.077769"/>
<atom id="a9" elementType="H" x3="0.639663" y3="0.935923" z3="-0.995140"/>
<atom id="a10" elementType="H" x3="-2.660874" y3="-1.094662" z3="-0.642771"/>
<atom id="a11" elementType="H" x3="-1.565606" y3="0.039555" z3="-1.450804"/>
<atom id="a12" elementType="H" x3="-2.976622" y3="0.647621" z3="-0.570827"/>
<atom id="a13" elementType="H" x3="2.534002" y3="0.952882" z3="0.683113"/>
<atom id="a14" elementType="H" x3="2.974318" y3="0.074557" z3="-0.788334"/>
<atom id="a15" elementType="H" x3="2.551130" y3="-0.815104" z3="0.681408"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a4" order="2"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a4 a6" order="1"/>
<bond atomRefs2="a3 a7" order="1"/>
<bond atomRefs2="a3 a8" order="1"/>
<bond atomRefs2="a3 a9" order="1"/>
<bond atomRefs2="a6 a10" order="1"/>
<bond atomRefs2="a6 a11" order="1"/>
<bond atomRefs2="a6 a12" order="1"/>
<bond atomRefs2="a8 a13" order="1"/>
<bond atomRefs2="a8 a14" order="1"/>
<bond atomRefs2="a8 a15" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">70.1329</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">70.0782503</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-180</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">37</scalar>
</property>
</propertyList>
</molecule>
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