/usr/share/avogadro/fragments/amino_acids/D-tryptophan.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 71 72 73 74 75 76 77 78 79 80 81 82 | <?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-3-1H-indol-3-yl_propanoic_acid">
<formula concise=" C 11 H 12 N 2 O 2 "/>
<identifier convention="iupac:inchi" value="1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1"/>
<name convention="IUPAC">(2R)-2-Amino-3-(1H-indol-3-yl)propanoic acid</name>
<atomArray>
<atom id="a1" elementType="N" x3="2.460741" y3="-0.913404" z3="-0.949919"/>
<atom id="a2" elementType="C" x3="1.142226" y3="-0.797263" z3="-1.622630"/>
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<atom id="a11" elementType="C" x3="-0.906895" y3="0.624258" z3="2.084594"/>
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<atom id="a19" elementType="H" x3="-1.303139" y3="1.266212" z3="-1.265446"/>
<atom id="a20" elementType="N" x3="-0.418258" y3="-0.550970" z3="2.698218"/>
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<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a3 a5" order="2"/>
<bond atomRefs2="a6 a7" order="1"/>
<bond atomRefs2="a6 a8" order="1"/>
<bond atomRefs2="a6 a9" order="1"/>
<bond atomRefs2="a9 a10" order="1"/>
<bond atomRefs2="a9 a21" order="2"/>
<bond atomRefs2="a10 a11" order="1"/>
<bond atomRefs2="a10 a18" order="2"/>
<bond atomRefs2="a11 a12" order="2"/>
<bond atomRefs2="a11 a20" order="1"/>
<bond atomRefs2="a12 a13" order="1"/>
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<bond atomRefs2="a14 a16" order="2"/>
<bond atomRefs2="a16 a17" order="1"/>
<bond atomRefs2="a16 a18" order="1"/>
<bond atomRefs2="a18 a19" order="1"/>
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<bond atomRefs2="a20 a23" order="1"/>
<bond atomRefs2="a21 a22" order="1"/>
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<bond atomRefs2="a1 a25" order="1"/>
<bond atomRefs2="a2 a26" order="1"/>
<bond atomRefs2="a4 a27" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">204.2252</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">204.0898776</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<!-- decomposition -->
<scalar dataType="xsd:double" errorValue="2.0" dictRef="cml:mp" units="units:celsius">283</scalar>
</property>
</propertyList>
</molecule>
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