/usr/share/avogadro/fragments/amides/N_N-dimethylacetamide.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 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 | <?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-dimethylacetamide">
<formula concise=" C 4 H 9 N 1 O 1 "/>
<identifier convention="iupac:inchi" value="1/C4H9NO/c1-4(6)5(2)3/h1-3H3"/>
<name convention="IUPAC">N,N-Dimethylacetamide</name>
<atomArray>
<atom id="a1" elementType="C" x3="0.952660" y3="1.678521" z3="0.184199"/>
<atom id="a2" elementType="N" x3="0.350710" y3="0.332022" z3="0.312264"/>
<atom id="a3" elementType="C" x3="1.187138" y3="-0.746162" z3="-0.258960"/>
<atom id="a4" elementType="C" x3="-1.075534" y3="0.216952" z3="0.146596"/>
<atom id="a5" elementType="C" x3="-1.690841" y3="-1.155689" z3="0.056185"/>
<atom id="a6" elementType="O" x3="-1.743888" y3="1.239324" z3="0.156518"/>
<atom id="a7" elementType="H" x3="0.401789" y3="2.396420" z3="0.806162"/>
<atom id="a8" elementType="H" x3="0.952538" y3="2.046176" z3="-0.852138"/>
<atom id="a9" elementType="H" x3="1.990532" y3="1.644587" z3="0.541696"/>
<atom id="a10" elementType="H" x3="1.138826" y3="-0.788161" z3="-1.357277"/>
<atom id="a11" elementType="H" x3="0.868655" y3="-1.718951" z3="0.139527"/>
<atom id="a12" elementType="H" x3="2.235007" y3="-0.591910" z3="0.032087"/>
<atom id="a13" elementType="H" x3="-1.377030" y3="-1.670785" z3="-0.862220"/>
<atom id="a14" elementType="H" x3="-2.787884" y3="-1.100059" z3="0.044114"/>
<atom id="a15" elementType="H" x3="-1.402678" y3="-1.782284" z3="0.911246"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a4" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a4 a6" order="2"/>
<bond atomRefs2="a1 a7" order="1"/>
<bond atomRefs2="a1 a8" order="1"/>
<bond atomRefs2="a1 a9" order="1"/>
<bond atomRefs2="a3 a10" order="1"/>
<bond atomRefs2="a3 a11" order="1"/>
<bond atomRefs2="a3 a12" order="1"/>
<bond atomRefs2="a5 a13" order="1"/>
<bond atomRefs2="a5 a14" order="1"/>
<bond atomRefs2="a5 a15" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">87.1204</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">87.0684139</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-20</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">165</scalar>
</property>
</propertyList>
</molecule>
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