/usr/share/avogadro/fragments/amino_acids/L-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_2S-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-/m0/s1"/>
<name convention="IUPAC">(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid</name>
<atomArray>
<atom id="a1" elementType="N" x3="-1.276075" y3="1.114458" z3="-1.767572"/>
<atom id="a2" elementType="C" x3="0.181415" y3="1.085422" z3="-2.034123"/>
<atom id="a3" elementType="C" x3="0.386312" y3="0.924093" z3="-3.534765"/>
<atom id="a4" elementType="O" x3="-0.002290" y3="0.037400" z3="-4.272943"/>
<atom id="a5" elementType="O" x3="1.119617" y3="1.899386" z3="-4.118769"/>
<atom id="a6" elementType="C" x3="0.943460" y3="-0.038691" z3="-1.307934"/>
<atom id="a7" elementType="H" x3="2.006193" y3="-0.023138" z3="-1.620629"/>
<atom id="a8" elementType="H" x3="0.550310" y3="-1.033045" z3="-1.605125"/>
<atom id="a9" elementType="C" x3="0.860631" y3="0.112134" z3="0.159738"/>
<atom id="a10" elementType="C" x3="1.632994" y3="0.946507" z3="0.943587"/>
<atom id="a11" elementType="N" x3="1.209518" y3="0.840261" z3="2.286351"/>
<atom id="a12" elementType="H" x3="1.762272" y3="1.115555" z3="3.056964"/>
<atom id="a13" elementType="C" x3="0.222273" y3="-0.169406" z3="2.358150"/>
<atom id="a14" elementType="C" x3="-0.036833" y3="-0.606532" z3="1.032293"/>
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<atom id="a17" elementType="C" x3="-1.709444" y3="-2.081365" z3="1.886842"/>
<atom id="a18" elementType="H" x3="-2.481763" y3="-2.842346" z3="1.733577"/>
<atom id="a19" elementType="C" x3="-1.441976" y3="-1.641281" z3="3.198002"/>
<atom id="a20" elementType="H" x3="-2.013134" y3="-2.072840" z3="4.026810"/>
<atom id="a21" elementType="C" x3="-0.480914" y3="-0.685090" z3="3.455752"/>
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<atom id="a26" elementType="H" x3="0.582761" y3="2.075244" z3="-1.698093"/>
<atom id="a27" elementType="H" x3="1.188957" y3="1.739266" z3="-5.054960"/>
</atomArray>
<bondArray>
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<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a3 a5" order="1"/>
<bond atomRefs2="a6 a7" order="1"/>
<bond atomRefs2="a6 a8" order="1"/>
<bond atomRefs2="a6 a9" order="1"/>
<bond atomRefs2="a9 a10" order="2"/>
<bond atomRefs2="a9 a14" order="1"/>
<bond atomRefs2="a10 a11" order="1"/>
<bond atomRefs2="a10 a23" order="1"/>
<bond atomRefs2="a11 a12" order="1"/>
<bond atomRefs2="a11 a13" order="1"/>
<bond atomRefs2="a13 a14" order="1"/>
<bond atomRefs2="a13 a21" order="2"/>
<bond atomRefs2="a14 a15" order="2"/>
<bond atomRefs2="a15 a16" order="1"/>
<bond atomRefs2="a15 a17" order="1"/>
<bond atomRefs2="a17 a18" order="1"/>
<bond atomRefs2="a17 a19" order="2"/>
<bond atomRefs2="a19 a20" order="1"/>
<bond atomRefs2="a19 a21" order="1"/>
<bond atomRefs2="a21 a22" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a1 a24" order="1"/>
<bond atomRefs2="a1 a25" order="1"/>
<bond atomRefs2="a2 a26" order="1"/>
<bond atomRefs2="a5 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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