/usr/share/avogadro/fragments/ethers/diethylether.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 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_ethoxyethane">
<formula concise=" C 4 H 10 O 1 "/>
<identifier convention="iupac:inchi" value="1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3"/>
<name convention="IUPAC">Ethoxyethane</name>
<atomArray>
<atom id="a1" elementType="H" x3="2.905892" y3="0.029352" z3="1.574203"/>
<atom id="a2" elementType="C" x3="2.313413" y3="-0.026374" z3="0.652427"/>
<atom id="a3" elementType="H" x3="2.634387" y3="0.796686" z3="0.000587"/>
<atom id="a4" elementType="H" x3="2.575395" y3="-0.964082" z3="0.145097"/>
<atom id="a5" elementType="C" x3="0.832863" y3="0.049416" z3="0.974294"/>
<atom id="a6" elementType="H" x3="0.523660" y3="-0.782913" z3="1.637065"/>
<atom id="a7" elementType="H" x3="0.583963" y3="0.994001" z3="1.497214"/>
<atom id="a8" elementType="O" x3="0.131928" y3="-0.023718" z3="-0.257878"/>
<atom id="a9" elementType="C" x3="-1.277988" y3="0.035223" z3="-0.103922"/>
<atom id="a10" elementType="H" x3="-1.624930" y3="-0.797230" z3="0.539743"/>
<atom id="a11" elementType="H" x3="-1.565937" y3="0.979635" z3="0.398884"/>
<atom id="a12" elementType="C" x3="-1.884121" y3="-0.054895" z3="-1.491630"/>
<atom id="a13" elementType="H" x3="-1.553651" y3="0.768544" z3="-2.138229"/>
<atom id="a14" elementType="H" x3="-1.616048" y3="-0.992338" z3="-1.996271"/>
<atom id="a15" elementType="H" x3="-2.978822" y3="-0.011307" z3="-1.431586"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a4" order="1"/>
<bond atomRefs2="a2 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a5 a7" order="1"/>
<bond atomRefs2="a5 a8" order="1"/>
<bond atomRefs2="a8 a9" order="1"/>
<bond atomRefs2="a9 a10" order="1"/>
<bond atomRefs2="a9 a11" order="1"/>
<bond atomRefs2="a9 a12" order="1"/>
<bond atomRefs2="a12 a13" order="1"/>
<bond atomRefs2="a12 a14" order="1"/>
<bond atomRefs2="a12 a15" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">74.1216</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">74.0731649</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-116</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">35</scalar>
</property>
</propertyList>
</molecule>
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