/usr/share/avogadro/fragments/amino_acids/D-cysteine.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 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_2S-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-/m1/s1"/>
<name convention="IUPAC">(2S)-2-Amino-3-sulfanylpropanoic acid</name>
<atomArray>
<atom id="a1" elementType="C" x3="-0.332573" y3="-0.018836" z3="-0.230307"/>
<atom id="a2" elementType="C" x3="0.029211" y3="-1.448791" z3="0.168541"/>
<atom id="a3" elementType="O" x3="0.884949" y3="-2.173002" z3="-0.307954"/>
<atom id="a4" elementType="O" x3="-0.706651" y3="-1.974251" z3="1.171396"/>
<atom id="a5" elementType="C" x3="0.285663" y3="0.949818" z3="0.783112"/>
<atom id="a6" elementType="S" x3="-0.437731" y3="2.615907" z3="0.794493"/>
<atom id="a7" elementType="N" x3="0.112494" y3="0.319397" z3="-1.602685"/>
<atom id="a8" elementType="H" x3="-1.448007" y3="0.090253" z3="-0.210752"/>
<atom id="a9" elementType="H" x3="-0.416363" y3="-2.861160" z3="1.362646"/>
<atom id="a10" elementType="H" x3="1.383596" y3="1.000962" z3="0.653608"/>
<atom id="a11" elementType="H" x3="0.117055" y3="0.573018" z3="1.812044"/>
<atom id="a12" elementType="H" x3="-0.198114" y3="2.997473" z3="-0.434819"/>
<atom id="a13" elementType="H" x3="-0.370636" y3="-0.249928" z3="-2.263799"/>
<atom id="a14" elementType="H" x3="1.097107" y3="0.179140" z3="-1.695525"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a1 a5" order="1"/>
<bond atomRefs2="a2 a3" order="2"/>
<bond atomRefs2="a2 a4" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a1 a7" order="1"/>
<bond atomRefs2="a1 a8" order="1"/>
<bond atomRefs2="a4 a9" order="1"/>
<bond atomRefs2="a5 a10" order="1"/>
<bond atomRefs2="a5 a11" order="1"/>
<bond atomRefs2="a6 a12" order="1"/>
<bond atomRefs2="a7 a13" order="1"/>
<bond atomRefs2="a7 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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