/usr/share/avogadro/fragments/amines/piperidine.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 | <?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_piperidine">
<formula concise=" C 5 H 11 N 1 "/>
<identifier convention="iupac:inchi" value="1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2"/>
<name convention="IUPAC">Piperidine</name>
<atomArray>
<atom id="a1" elementType="C" x3="1.328947" y3="0.445222" z3="-0.292615"/>
<atom id="a2" elementType="C" x3="0.158495" y3="1.019123" z3="-1.082509"/>
<atom id="a3" elementType="C" x3="0.865943" y3="-0.084578" z3="1.055227"/>
<atom id="a4" elementType="C" x3="-0.244020" y3="-1.107628" z3="0.873652"/>
<atom id="a5" elementType="C" x3="-1.400034" y3="-0.519563" z3="0.073032"/>
<atom id="a6" elementType="N" x3="-0.919306" y3="0.007848" z3="-1.229582"/>
<atom id="a7" elementType="H" x3="2.100472" y3="1.226925" z3="-0.153706"/>
<atom id="a8" elementType="H" x3="-0.206989" y3="1.948334" z3="-0.592768"/>
<atom id="a9" elementType="H" x3="1.716588" y3="-0.537861" z3="1.599159"/>
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<atom id="a11" elementType="H" x3="-1.915312" y3="0.261878" z3="0.673645"/>
<atom id="a12" elementType="H" x3="1.819890" y3="-0.365252" z3="-0.867330"/>
<atom id="a13" elementType="H" x3="0.482722" y3="1.305405" z3="-2.101683"/>
<atom id="a14" elementType="H" x3="0.512450" y3="0.751350" z3="1.691640"/>
<atom id="a15" elementType="H" x3="-0.613741" y3="-1.452357" z3="1.858530"/>
<atom id="a16" elementType="H" x3="-2.155173" y3="-1.299070" z3="-0.145702"/>
<atom id="a17" elementType="H" x3="-1.685095" y3="0.409947" z3="-1.726808"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a1 a7" order="1"/>
<bond atomRefs2="a1 a12" order="1"/>
<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a2 a8" order="1"/>
<bond atomRefs2="a2 a13" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a3 a9" order="1"/>
<bond atomRefs2="a3 a14" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a4 a10" order="1"/>
<bond atomRefs2="a4 a15" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a5 a11" order="1"/>
<bond atomRefs2="a5 a16" order="1"/>
<bond atomRefs2="a6 a17" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">85.1475</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">85.0891494</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-13</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">106</scalar>
</property>
</propertyList>
</molecule>
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