/usr/share/avogadro/fragments/amino_acids/L-tyrosine.cml is in avogadro-data 1.0.3-5.
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 | <?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-3-4-hydroxyphenyl_propanoic_acid">
<formula concise=" C 9 H 11 N 1 O 3 "/>
<identifier convention="iupac:inchi" value="1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1"/>
<name convention="IUPAC">(2S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid</name>
<atomArray>
<atom id="a1" elementType="N" x3="1.170699" y3="-2.179842" z3="0.228015"/>
<atom id="a2" elementType="C" x3="1.490847" y3="-0.983658" z3="-0.582239"/>
<atom id="a3" elementType="C" x3="2.945909" y3="-0.962253" z3="-1.045633"/>
<atom id="a4" elementType="O" x3="3.914830" y3="-1.497317" z3="-0.536326"/>
<atom id="a5" elementType="O" x3="3.185119" y3="-0.263816" z3="-2.177537"/>
<atom id="a6" elementType="C" x3="1.205384" y3="0.310126" z3="0.200681"/>
<atom id="a7" elementType="H" x3="1.673802" y3="0.272161" z3="1.205864"/>
<atom id="a8" elementType="H" x3="1.680734" y3="1.166525" z3="-0.319994"/>
<atom id="a9" elementType="C" x3="-0.261752" y3="0.567828" z3="0.316647"/>
<atom id="a10" elementType="C" x3="-0.963513" y3="1.087109" z3="-0.775149"/>
<atom id="a11" elementType="H" x3="-0.432210" y3="1.295256" z3="-1.711369"/>
<atom id="a12" elementType="C" x3="-2.323810" y3="1.341428" z3="-0.686648"/>
<atom id="a13" elementType="H" x3="-2.871360" y3="1.749039" z3="-1.543730"/>
<atom id="a14" elementType="C" x3="-2.990437" y3="1.068688" z3="0.516572"/>
<atom id="a15" elementType="C" x3="-2.298993" y3="0.548307" z3="1.617595"/>
<atom id="a16" elementType="H" x3="-2.818344" y3="0.331894" z3="2.558082"/>
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<atom id="a18" elementType="H" x3="-0.390954" y3="-0.111670" z3="2.364431"/>
<atom id="a19" elementType="O" x3="-4.330570" y3="1.342992" z3="0.538359"/>
<atom id="a20" elementType="H" x3="-4.663055" y3="1.103046" z3="1.394316"/>
<atom id="a21" elementType="H" x3="0.824073" y3="-1.021306" z3="-1.481615"/>
<atom id="a22" elementType="H" x3="4.113078" y3="-0.292981" z3="-2.390237"/>
<atom id="a23" elementType="H" x3="1.680505" y3="-2.167473" z3="1.086508"/>
<atom id="a24" elementType="H" x3="1.396066" y3="-3.005368" z3="-0.284305"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a6" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<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="1"/>
<bond atomRefs2="a9 a17" order="2"/>
<bond atomRefs2="a10 a11" order="1"/>
<bond atomRefs2="a10 a12" order="2"/>
<bond atomRefs2="a12 a13" order="1"/>
<bond atomRefs2="a12 a14" order="1"/>
<bond atomRefs2="a14 a15" order="2"/>
<bond atomRefs2="a14 a19" order="1"/>
<bond atomRefs2="a15 a16" order="1"/>
<bond atomRefs2="a15 a17" order="1"/>
<bond atomRefs2="a17 a18" order="1"/>
<bond atomRefs2="a19 a20" order="1"/>
<bond atomRefs2="a2 a21" order="1"/>
<bond atomRefs2="a5 a22" order="1"/>
<bond atomRefs2="a1 a23" order="1"/>
<bond atomRefs2="a1 a24" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">181.1885</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">181.0738932</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">> 300</scalar>
</property>
</propertyList>
</molecule>
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