/usr/share/avogadro/fragments/amides/oxamide.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 | <?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_oxamide">
<formula concise=" C 2 H 4 N 2 O 2 "/>
<identifier convention="iupac:inchi" value="1/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)"/>
<name convention="IUPAC">Oxamide</name>
<atomArray>
<atom id="a1" elementType="C" x3="0.726286" y3="0.048839" z3="0.226848"/>
<atom id="a2" elementType="C" x3="-0.726176" y3="-0.048582" z3="-0.226628"/>
<atom id="a3" elementType="N" x3="1.279336" y3="-1.035101" z3="0.882651"/>
<atom id="a4" elementType="N" x3="-1.279381" y3="1.034940" z3="-0.882908"/>
<atom id="a5" elementType="O" x3="1.433848" y3="1.037183" z3="0.042003"/>
<atom id="a6" elementType="O" x3="-1.433599" y3="-1.036984" z3="-0.041771"/>
<atom id="a7" elementType="H" x3="0.748179" y3="-1.852551" z3="1.053977"/>
<atom id="a8" elementType="H" x3="2.220189" y3="-1.008748" z3="1.192449"/>
<atom id="a9" elementType="H" x3="-2.220312" y3="1.008482" z3="-1.192352"/>
<atom id="a10" elementType="H" x3="-0.748368" y3="1.852522" z3="-1.054268"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a2 a4" order="1"/>
<bond atomRefs2="a2 a6" order="2"/>
<bond atomRefs2="a5 a1" order="2"/>
<bond atomRefs2="a3 a7" order="1"/>
<bond atomRefs2="a3 a8" order="1"/>
<bond atomRefs2="a4 a9" order="1"/>
<bond atomRefs2="a4 a10" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">88.0654</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">88.0272774</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">> 300</scalar>
</property>
</propertyList>
</molecule>
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