/usr/share/avogadro/fragments/heteroaromatics/1_2-thiazole.cml is in avogadro-data 1.0.3-5.
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 | <?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_1_2-thiazole">
<formula concise=" C 3 H 3 N 1 S 1 "/>
<identifier convention="iupac:inchi" value="1/C3H3NS/c1-2-4-5-3-1/h1-3H"/>
<name convention="IUPAC">1,2-Thiazole</name>
<atomArray>
<atom id="a1" elementType="C" x3="0.842614" y3="0.761850" z3="-0.313032"/>
<atom id="a2" elementType="C" x3="0.424984" y3="-0.538365" z3="-0.261938"/>
<atom id="a3" elementType="H" x3="1.792380" y3="1.099436" z3="-0.725254"/>
<atom id="a4" elementType="H" x3="0.985428" y3="-1.399880" z3="-0.624905"/>
<atom id="a5" elementType="S" x3="-0.336449" y3="1.812959" z3="0.364213"/>
<atom id="a6" elementType="N" x3="-1.401196" y3="0.500165" z3="0.720218"/>
<atom id="a7" elementType="C" x3="-0.879050" y3="-0.652358" z3="0.342774"/>
<atom id="a8" elementType="H" x3="-1.428712" y3="-1.583808" z3="0.497923"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a2 a4" order="1"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a6 a7" order="2"/>
<bond atomRefs2="a7 a2" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">85.1276</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">84.9986201</scalar>
</property>
</propertyList>
</molecule>
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