/usr/share/avogadro/fragments/heteroaromatics/pyridine.cml is in avogadro-data 1.0.3-10.1.
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 | <?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_pyridine">
<formula concise=" C 5 H 5 N 1 "/>
<identifier convention="iupac:inchi" value="1/C5H5N/c1-2-4-6-5-3-1/h1-5H"/>
<name convention="IUPAC">Pyridine</name>
<atomArray>
<atom id="a1" elementType="C" x3="1.467022" y3="0.212820" z3="-0.000000"/>
<atom id="a2" elementType="C" x3="0.803803" y3="-1.014803" z3="0.000001"/>
<atom id="a3" elementType="C" x3="-0.587736" y3="-1.031229" z3="-0.000000"/>
<atom id="a4" elementType="C" x3="-1.282831" y3="0.174319" z3="-0.000000"/>
<atom id="a5" elementType="C" x3="-0.564469" y3="1.370615" z3="0.000002"/>
<atom id="a6" elementType="N" x3="0.788322" y3="1.383159" z3="-0.000002"/>
<atom id="a7" elementType="H" x3="2.559714" y3="0.295548" z3="-0.000000"/>
<atom id="a8" elementType="H" x3="1.373198" y3="-1.949282" z3="0.000000"/>
<atom id="a9" elementType="H" x3="-1.129782" y3="-1.982368" z3="-0.000000"/>
<atom id="a10" elementType="H" x3="-2.377024" y3="0.188328" z3="-0.000000"/>
<atom id="a11" elementType="H" x3="-1.050216" y3="2.352894" z3="0.000000"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a5 a6" order="2"/>
<bond atomRefs2="a6 a1" order="1"/>
<bond atomRefs2="a1 a7" order="1"/>
<bond atomRefs2="a2 a8" order="1"/>
<bond atomRefs2="a3 a9" order="1"/>
<bond atomRefs2="a4 a10" order="1"/>
<bond atomRefs2="a5 a11" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">79.0999</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">79.0421992</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-42</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">115</scalar>
</property>
</propertyList>
</molecule>
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