/usr/share/avogadro/fragments/carbamides/urea.cml is in avogadro-data 1.0.3-1ubuntu4.
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 | <?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_urea">
<formula concise=" C 1 H 4 N 2 O 1 "/>
<identifier convention="iupac:inchi" value="1/CH4N2O/c2-1(3)4/h(H4,2,3,4)"/>
<name convention="IUPAC">Urea</name>
<atomArray>
<atom id="a1" elementType="N" x3="1.227310" y3="0.092854" z3="-0.046085"/>
<atom id="a2" elementType="C" x3="-0.118994" y3="0.480821" z3="0.054038"/>
<atom id="a3" elementType="N" x3="-1.127519" y3="-0.495405" z3="0.000588"/>
<atom id="a4" elementType="O" x3="-0.413635" y3="1.669913" z3="0.187877"/>
<atom id="a5" elementType="H" x3="1.489787" y3="-0.855207" z3="-0.153599"/>
<atom id="a6" elementType="H" x3="1.936521" y3="0.782862" z3="-0.007714"/>
<atom id="a7" elementType="H" x3="-2.075843" y3="-0.219289" z3="0.071139"/>
<atom id="a8" elementType="H" x3="-0.917626" y3="-1.456549" z3="-0.106245"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a4" order="2"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a1 a6" order="1"/>
<bond atomRefs2="a3 a7" order="1"/>
<bond atomRefs2="a3 a8" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">60.0553</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">60.0323628</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">135</scalar>
</property>
</propertyList>
</molecule>
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