/usr/share/avogadro/fragments/amines/2-aminopropane.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_propan-2-amine">
<formula concise=" C 3 H 9 N 1 "/>
<identifier convention="iupac:inchi" value="1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3"/>
<name convention="IUPAC">Propan-2-amine</name>
<atomArray>
<atom id="a1" elementType="N" x3="1.488198" y3="-0.560856" z3="0.130248"/>
<atom id="a2" elementType="C" x3="0.019822" y3="-0.374736" z3="0.257934"/>
<atom id="a3" elementType="H" x3="1.924864" y3="-0.352492" z3="1.003834"/>
<atom id="a4" elementType="H" x3="1.848057" y3="0.056105" z3="-0.568583"/>
<atom id="a5" elementType="H" x3="-0.318873" y3="-1.153371" z3="0.985238"/>
<atom id="a6" elementType="C" x3="-0.653635" y3="-0.628099" z3="-1.084529"/>
<atom id="a7" elementType="C" x3="-0.367757" y3="1.001862" z3="0.790764"/>
<atom id="a8" elementType="H" x3="-1.746153" y3="-0.580098" z3="-0.985598"/>
<atom id="a9" elementType="H" x3="-0.362125" y3="0.115597" z3="-1.839451"/>
<atom id="a10" elementType="H" x3="-0.403100" y3="-1.619115" z3="-1.485112"/>
<atom id="a11" elementType="H" x3="0.079870" y3="1.202447" z3="1.773591"/>
<atom id="a12" elementType="H" x3="-1.456313" y3="1.084080" z3="0.907340"/>
<atom id="a13" elementType="H" x3="-0.052853" y3="1.808676" z3="0.114323"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a1 a4" order="1"/>
<bond atomRefs2="a2 a5" order="1"/>
<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a2 a7" order="1"/>
<bond atomRefs2="a6 a8" order="1"/>
<bond atomRefs2="a6 a9" order="1"/>
<bond atomRefs2="a6 a10" order="1"/>
<bond atomRefs2="a7 a11" order="1"/>
<bond atomRefs2="a7 a12" order="1"/>
<bond atomRefs2="a7 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="2.0" dictRef="cml:mp" units="units:celsius">-99</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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