/usr/share/avogadro/fragments/carbohydrates/d-erythrose.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 51 52 53 54 | <?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_d-erythrose">
<formula concise=" C 4 H 8 O 4 "/>
<identifier convention="iupac:inchi" value="1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1"/>
<name convention="IUPAC">(2R,3R)-2,3,4-Trihydroxybutanal</name>
<atomArray>
<atom id="a1" elementType="C" x3="0.392212" y3="-0.319822" z3="-0.029938"/>
<atom id="a2" elementType="C" x3="-0.480517" y3="0.967800" z3="-0.068045"/>
<atom id="a3" elementType="H" x3="1.412785" y3="-0.094652" z3="0.360616"/>
<atom id="a4" elementType="O" x3="0.681065" y3="-0.808639" z3="-1.316335"/>
<atom id="a5" elementType="C" x3="-0.299038" y3="-1.399351" z3="0.838090"/>
<atom id="a6" elementType="O" x3="-0.567818" y3="1.588202" z3="1.189325"/>
<atom id="a7" elementType="H" x3="-1.547012" y3="0.713360" z3="-0.272438"/>
<atom id="a8" elementType="C" x3="0.069523" y3="1.949969" z3="-1.112821"/>
<atom id="a9" elementType="O" x3="0.560478" y3="-2.446148" z3="1.186813"/>
<atom id="a10" elementType="H" x3="-1.205766" y3="-1.789866" z3="0.333587"/>
<atom id="a11" elementType="H" x3="0.906615" y3="2.595922" z3="-0.801584"/>
<atom id="a12" elementType="O" x3="-0.391853" y3="2.023508" z3="-2.225049"/>
<atom id="a13" elementType="H" x3="0.902075" y3="-2.817235" z3="0.382050"/>
<atom id="a14" elementType="H" x3="-0.604470" y3="-0.986607" z3="1.815486"/>
<atom id="a15" elementType="H" x3="0.316086" y3="1.770151" z3="1.486374"/>
<atom id="a16" elementType="H" x3="-0.144364" y3="-0.946592" z3="-1.766130"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a3" order="1"/>
<bond atomRefs2="a1 a4" order="1"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a2 a7" order="1"/>
<bond atomRefs2="a2 a8" order="1"/>
<bond atomRefs2="a5 a9" order="1"/>
<bond atomRefs2="a5 a10" order="1"/>
<bond atomRefs2="a8 a11" order="1"/>
<bond atomRefs2="a8 a12" order="2"/>
<bond atomRefs2="a9 a13" order="1"/>
<bond atomRefs2="a5 a14" order="1"/>
<bond atomRefs2="a6 a15" order="1"/>
<bond atomRefs2="a4 a16" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">120.1039</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">120.0422587</scalar>
</property>
</propertyList>
</molecule>
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