/usr/share/avogadro/fragments/amines/ammonia.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 | <?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_azane">
<formula concise=" H 3 N 1 "/>
<identifier convention="iupac:inchi" value="1/H3N/h1H3"/>
<name convention="IUPAC">Azane</name>
<atomArray>
<atom id="a1" elementType="N" x3="-0.149235" y3="-0.185795" z3="0.120472"/>
<atom id="a2" elementType="H" x3="0.151859" y3="0.507801" z3="0.774118"/>
<atom id="a3" elementType="H" x3="0.663499" y3="-0.594956" z3="-0.293043"/>
<atom id="a4" elementType="H" x3="-0.666123" y3="0.272951" z3="-0.601547"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a1 a4" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">17.0305</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">17.0265491</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-78</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">-33</scalar>
</property>
</propertyList>
</molecule>
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