/usr/share/avogadro/fragments/carboxylic_acids/L-lactic_acid.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 34 35 36 37 38 39 40 41 42 43 44 45 46 | <?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_S-2-hydroxypropanoic_acid">
<formula concise=" C 3 H 6 O 3 "/>
<identifier convention="iupac:inchi" value="1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1"/>
<name convention="IUPAC">(S)-2-Hydroxypropanoic acid</name>
<atomArray>
<atom id="a1" elementType="H" x3="1.861831" y3="-0.439178" z3="0.591343"/>
<atom id="a2" elementType="C" x3="1.236657" y3="-0.579950" z3="-0.299237"/>
<atom id="a3" elementType="H" x3="1.450328" y3="0.245965" z3="-0.991381"/>
<atom id="a4" elementType="H" x3="1.559857" y3="-1.508825" z3="-0.787271"/>
<atom id="a5" elementType="C" x3="-0.241383" y3="-0.648808" z3="0.077070"/>
<atom id="a6" elementType="H" x3="-0.444977" y3="-1.517396" z3="0.746242"/>
<atom id="a7" elementType="C" x3="-0.637149" y3="0.643167" z3="0.801197"/>
<atom id="a8" elementType="O" x3="-0.715344" y3="0.834814" z3="1.999477"/>
<atom id="a9" elementType="O" x3="-0.913746" y3="1.706962" z3="0.012450"/>
<atom id="a10" elementType="H" x3="-1.162497" y3="2.453776" z3="0.548733"/>
<atom id="a11" elementType="O" x3="-1.076391" y3="-0.923959" z3="-1.015899"/>
<atom id="a12" elementType="H" x3="-0.917187" y3="-0.266569" z3="-1.682725"/>
</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 a11" order="1"/>
<bond atomRefs2="a7 a8" order="2"/>
<bond atomRefs2="a7 a9" order="1"/>
<bond atomRefs2="a9 a10" order="1"/>
<bond atomRefs2="a11 a12" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">90.0779</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">90.0316941</scalar>
</property>
</propertyList>
</molecule>
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