/usr/share/avogadro/fragments/carbohydrates/d-xylulose.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 | <?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-xylulose">
<formula concise=" C 5 H 10 O 5 "/>
<identifier convention="iupac:inchi" value="1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1"/>
<name convention="IUPAC">(3S,4R)-1,3,4,5-Tetrahydroxypentan-2-one</name>
<atomArray>
<atom id="a1" elementType="C" x3="2.401913" y3="0.004277" z3="0.292334"/>
<atom id="a2" elementType="C" x3="0.939090" y3="0.346477" z3="-0.080373"/>
<atom id="a3" elementType="C" x3="-0.028180" y3="-0.732773" z3="0.496308"/>
<atom id="a4" elementType="C" x3="-1.364720" y3="-0.068621" z3="0.878279"/>
<atom id="a5" elementType="C" x3="-2.398201" y3="0.132612" z3="-0.223041"/>
<atom id="a6" elementType="O" x3="3.284979" y3="1.065982" z3="0.069827"/>
<atom id="a7" elementType="O" x3="0.777514" y3="0.527397" z3="-1.466492"/>
<atom id="a8" elementType="O" x3="-0.187738" y3="-1.845784" z3="-0.342743"/>
<atom id="a9" elementType="O" x3="-1.569192" y3="0.274072" z3="2.025346"/>
<atom id="a10" elementType="O" x3="-3.371055" y3="1.096150" z3="0.052775"/>
<atom id="a11" elementType="H" x3="2.745931" y3="-0.905223" z3="-0.240641"/>
<atom id="a12" elementType="H" x3="2.502286" y3="-0.179166" z3="1.376528"/>
<atom id="a13" elementType="H" x3="0.662694" y3="1.352549" z3="0.313992"/>
<atom id="a14" elementType="H" x3="0.430822" y3="-1.205957" z3="1.397805"/>
<atom id="a15" elementType="H" x3="-2.875861" y3="-0.841189" z3="-0.453098"/>
<atom id="a16" elementType="H" x3="-1.923895" y3="0.514269" z3="-1.146377"/>
<atom id="a17" elementType="H" x3="3.193412" y3="1.334515" z3="-0.836478"/>
<atom id="a18" elementType="H" x3="1.152599" y3="-0.227567" z3="-1.906128"/>
<atom id="a19" elementType="H" x3="-0.648946" y3="-1.566181" z3="-1.125897"/>
<atom id="a20" elementType="H" x3="-3.723451" y3="0.924162" z3="0.918075"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a1 a6" order="1"/>
<bond atomRefs2="a2 a7" order="1"/>
<bond atomRefs2="a3 a8" order="1"/>
<bond atomRefs2="a4 a9" order="2"/>
<bond atomRefs2="a5 a10" order="1"/>
<bond atomRefs2="a1 a11" order="1"/>
<bond atomRefs2="a1 a12" order="1"/>
<bond atomRefs2="a2 a13" order="1"/>
<bond atomRefs2="a3 a14" order="1"/>
<bond atomRefs2="a5 a15" order="1"/>
<bond atomRefs2="a5 a16" order="1"/>
<bond atomRefs2="a6 a17" order="1"/>
<bond atomRefs2="a7 a18" order="1"/>
<bond atomRefs2="a8 a19" order="1"/>
<bond atomRefs2="a10 a20" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">150.1299</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">150.0528234</scalar>
</property>
</propertyList>
</molecule>
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