/usr/share/avogadro/fragments/heteroaromatics/1_2-oxazole.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 40 41 42 | <?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-oxazole">
<formula concise=" C 3 H 3 N 1 O 1 "/>
<identifier convention="iupac:inchi" value="1/C3H3NO/c1-2-4-5-3-1/h1-3H"/>
<name convention="IUPAC">1,2-Oxazole</name>
<atomArray>
<atom id="a1" elementType="C" x3="0.782739" y3="0.785771" z3="0.031190"/>
<atom id="a2" elementType="C" x3="0.524154" y3="-0.553255" z3="-0.107697"/>
<atom id="a3" elementType="C" x3="-0.912299" y3="-0.676264" z3="-0.007827"/>
<atom id="a4" elementType="H" x3="1.696814" y3="1.374757" z3="0.028440"/>
<atom id="a5" elementType="H" x3="1.228218" y3="-1.365977" z3="-0.260681"/>
<atom id="a6" elementType="H" x3="-1.516249" y3="-1.580974" z3="-0.067431"/>
<atom id="a7" elementType="O" x3="-0.374652" y3="1.486690" z3="0.207004"/>
<atom id="a8" elementType="N" x3="-1.428725" y3="0.529252" z3="0.177002"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a1 a4" order="1"/>
<bond atomRefs2="a2 a5" order="1"/>
<bond atomRefs2="a3 a6" order="1"/>
<bond atomRefs2="a1 a7" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a8 a3" order="2"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">69.0620</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">69.0214637</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">95</scalar>
</property>
</propertyList>
</molecule>
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