/usr/share/avogadro/fragments/amines/trimethylamine.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 | <?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_N_N-dimethylmethanamine">
<formula concise=" C 3 H 9 N 1 "/>
<identifier convention="iupac:inchi" value="1/C3H9N/c1-4(2)3/h1-3H3"/>
<name convention="IUPAC">N,N-Dimethylmethanamine</name>
<atomArray>
<atom id="a1" elementType="C" x3="1.416911" y3="-0.000338" z3="-0.092767"/>
<atom id="a2" elementType="N" x3="-0.016096" y3="-0.208289" z3="-0.398265"/>
<atom id="a3" elementType="C" x3="-0.673219" y3="-1.111142" z3="0.572942"/>
<atom id="a4" elementType="C" x3="-0.747047" y3="1.067925" z3="-0.563546"/>
<atom id="a5" elementType="H" x3="1.591732" y3="0.507660" z3="0.868280"/>
<atom id="a6" elementType="H" x3="1.925608" y3="-0.972509" z3="-0.065761"/>
<atom id="a7" elementType="H" x3="-1.705867" y3="-1.297945" z3="0.251683"/>
<atom id="a8" elementType="H" x3="-0.697684" y3="-0.709978" z3="1.597982"/>
<atom id="a9" elementType="H" x3="-0.267926" y3="1.659235" z3="-1.354305"/>
<atom id="a10" elementType="H" x3="-0.778484" y3="1.677588" z3="0.352723"/>
<atom id="a11" elementType="H" x3="1.872537" y3="0.602453" z3="-0.888729"/>
<atom id="a12" elementType="H" x3="-0.141559" y3="-2.071129" z3="0.591540"/>
<atom id="a13" elementType="H" x3="-1.778904" y3="0.856467" z3="-0.871777"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a1 a6" order="1"/>
<bond atomRefs2="a1 a11" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a4" order="1"/>
<bond atomRefs2="a3 a7" order="1"/>
<bond atomRefs2="a3 a8" order="1"/>
<bond atomRefs2="a3 a12" order="1"/>
<bond atomRefs2="a4 a9" order="1"/>
<bond atomRefs2="a4 a10" order="1"/>
<bond atomRefs2="a4 a13" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">59.1103</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">59.0734993</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-117</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">3</scalar>
</property>
</propertyList>
</molecule>
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