/usr/share/avogadro/fragments/carbohydrates/d-fructose.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 59 60 61 62 63 64 65 66 67 68 69 70 | <?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-fructose">
<formula concise=" C 6 H 12 O 6 "/>
<identifier convention="iupac:inchi" value="1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1"/>
<name convention="IUPAC">(3S,4R,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one</name>
<atomArray>
<atom id="a1" elementType="C" x3="-0.937548" y3="-0.986744" z3="-0.157164"/>
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<atom id="a5" elementType="H" x3="-0.325709" y3="-1.669348" z3="0.479607"/>
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<atom id="a11" elementType="C" x3="1.455528" y3="-0.112747" z3="-0.507101"/>
<atom id="a12" elementType="H" x3="-0.328600" y3="1.141872" z3="-0.195436"/>
<atom id="a13" elementType="O" x3="-0.365041" y3="0.489177" z3="-2.046597"/>
<atom id="a14" elementType="H" x3="1.713758" y3="-1.108634" z3="-0.937995"/>
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<atom id="a19" elementType="H" x3="1.775703" y3="0.556883" z3="1.265086"/>
<atom id="a20" elementType="H" x3="-3.400110" y3="0.723820" z3="2.582130"/>
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<atom id="a24" elementType="H" x3="3.983613" y3="0.089531" z3="-0.917097"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a1 a4" order="1"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a1 a6" order="1"/>
<bond atomRefs2="a2 a7" order="2"/>
<bond atomRefs2="a3 a8" order="1"/>
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<bond atomRefs2="a3 a10" order="1"/>
<bond atomRefs2="a6 a11" order="1"/>
<bond atomRefs2="a6 a12" order="1"/>
<bond atomRefs2="a6 a13" order="1"/>
<bond atomRefs2="a11 a14" order="1"/>
<bond atomRefs2="a11 a15" order="1"/>
<bond atomRefs2="a11 a16" order="1"/>
<bond atomRefs2="a15 a17" order="1"/>
<bond atomRefs2="a15 a18" order="1"/>
<bond atomRefs2="a16 a19" order="1"/>
<bond atomRefs2="a8 a20" order="1"/>
<bond atomRefs2="a13 a21" order="1"/>
<bond atomRefs2="a4 a22" order="1"/>
<bond atomRefs2="a15 a23" order="1"/>
<bond atomRefs2="a17 a24" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">180.1559</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">180.0633881</scalar>
</property>
</propertyList>
</molecule>
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