/usr/share/avogadro/fragments/nucleobases/uracil.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 | <?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_1H-pyrimidine-2_4-dione">
<formula concise=" C 4 H 4 N 2 O 2 "/>
<identifier convention="iupac:inchi" value="1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)"/>
<name convention="IUPAC">1H-Pyrimidine-2,4-dione</name>
<atomArray>
<atom id="a1" elementType="C" x3="1.324729" y3="0.495159" z3="-0.070942"/>
<atom id="a2" elementType="C" x3="1.138941" y3="-0.837418" z3="0.034184"/>
<atom id="a3" elementType="N" x3="-0.149433" y3="-1.388021" z3="0.108549"/>
<atom id="a4" elementType="C" x3="-1.307296" y3="-0.554684" z3="0.075074"/>
<atom id="a5" elementType="N" x3="-1.121180" y3="0.846283" z3="-0.035246"/>
<atom id="a6" elementType="C" x3="0.189282" y3="1.421255" z3="-0.111916"/>
<atom id="a7" elementType="O" x3="-2.423224" y3="-1.055483" z3="0.141144"/>
<atom id="a8" elementType="O" x3="0.239829" y3="2.636545" z3="-0.204915"/>
<atom id="a9" elementType="H" x3="1.974691" y3="-1.549094" z3="0.066504"/>
<atom id="a10" elementType="H" x3="-0.263969" y3="-2.373233" z3="0.185463"/>
<atom id="a11" elementType="H" x3="-1.931361" y3="1.429996" z3="-0.058703"/>
<atom id="a12" elementType="H" x3="2.328990" y3="0.928694" z3="-0.129196"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a6 a1" order="1"/>
<bond atomRefs2="a1 a12" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a9" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a3 a10" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a4 a7" order="2"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a5 a11" order="1"/>
<bond atomRefs2="a6 a8" order="2"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">112.0868</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">112.0272774</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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