/usr/share/avogadro/fragments/aldehydes/formaldehyde.cml is in avogadro-data 1.0.3-10.1.
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 | <?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_formaldehyde">
<formula concise=" C 1 H 2 O 1 "/>
<identifier convention="iupac:inchi" value="1/CH2O/c1-2/h1H2"/>
<name convention="IUPAC">Formaldehyde</name>
<atomArray>
<atom id="a1" elementType="H" x3="0.483843" y3="-0.155908" z3="0.973460"/>
<atom id="a2" elementType="C" x3="0.013060" y3="0.000317" z3="0.001484"/>
<atom id="a3" elementType="H" x3="0.683934" y3="0.185421" z3="-0.839003"/>
<atom id="a4" elementType="O" x3="-1.180838" y3="-0.029830" z3="-0.135942"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a4" order="2"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">30.0260</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">30.0105647</scalar>
</property>
<property dictRef="cml:bp" title="Boiling point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">-20</scalar>
</property>
</propertyList>
</molecule>
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