/usr/share/avogadro/fragments/amino_acids/L-cysteine.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 | <?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_2R-2-amino-3-sulfanylpropanoic_acid">
<formula concise=" C 3 H 7 N 1 O 2 S 1 "/>
<identifier convention="iupac:inchi" value="1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1"/>
<name convention="IUPAC">(2R)-2-Amino-3-sulfanylpropanoic acid</name>
<atomArray>
<atom id="a1" elementType="H" x3="-0.329347" y3="-1.092942" z3="0.817279"/>
<atom id="a2" elementType="C" x3="0.041624" y3="-0.383248" z3="0.032615"/>
<atom id="a3" elementType="N" x3="1.440972" y3="-0.771148" z3="-0.258717"/>
<atom id="a4" elementType="H" x3="1.811112" y3="-0.207382" z3="-0.995654"/>
<atom id="a5" elementType="H" x3="1.474104" y3="-1.732003" z3="-0.524241"/>
<atom id="a6" elementType="C" x3="-0.006496" y3="1.046672" z3="0.580323"/>
<atom id="a7" elementType="H" x3="0.603576" y3="1.726017" z3="-0.045730"/>
<atom id="a8" elementType="C" x3="-0.876561" y3="-0.484181" z3="-1.191526"/>
<atom id="a9" elementType="O" x3="-0.542170" y3="-0.558757" z3="-2.354795"/>
<atom id="a10" elementType="O" x3="-2.221043" y3="-0.513884" z3="-1.070532"/>
<atom id="a11" elementType="H" x3="-2.478772" y3="-0.447882" z3="-0.159167"/>
<atom id="a12" elementType="S" x3="0.443228" y3="1.202314" z3="2.333009"/>
<atom id="a13" elementType="H" x3="-1.041046" y3="1.442313" z3="0.528235"/>
<atom id="a14" elementType="H" x3="1.680819" y3="0.774110" z3="2.308902"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a2 a8" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a3 a5" order="1"/>
<bond atomRefs2="a6 a7" order="1"/>
<bond atomRefs2="a8 a9" order="2"/>
<bond atomRefs2="a8 a10" order="1"/>
<bond atomRefs2="a10 a11" order="1"/>
<bond atomRefs2="a6 a12" order="1"/>
<bond atomRefs2="a6 a13" order="1"/>
<bond atomRefs2="a12 a14" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">121.1582</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">121.0197495</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">230</scalar>
</property>
</propertyList>
</molecule>
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