/usr/share/avogadro/fragments/amino_acids/L-glutamic_acid.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 54 55 56 57 58 59 60 61 62 63 64 | <?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-aminopentanedioic_acid">
<formula concise=" C 5 H 9 N 1 O 4 "/>
<identifier convention="iupac:inchi" value="1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1"/>
<name convention="IUPAC">(2S)-2-Aminopentanedioic acid</name>
<atomArray>
<atom id="a1" elementType="N" x3="0.285747" y3="-2.068682" z3="-0.136314"/>
<atom id="a2" elementType="C" x3="0.573090" y3="-0.720171" z3="-0.700978"/>
<atom id="a3" elementType="C" x3="0.145135" y3="0.387560" z3="0.269462"/>
<atom id="a4" elementType="H" x3="0.460146" y3="0.141900" z3="1.304500"/>
<atom id="a5" elementType="H" x3="0.680041" y3="1.324399" z3="0.010690"/>
<atom id="a6" elementType="C" x3="-1.357807" y3="0.629975" z3="0.216083"/>
<atom id="a7" elementType="H" x3="-1.681390" y3="0.859977" z3="-0.819225"/>
<atom id="a8" elementType="H" x3="-1.919912" y3="-0.276857" z3="0.519332"/>
<atom id="a9" elementType="C" x3="-1.727605" y3="1.790514" z3="1.107165"/>
<atom id="a10" elementType="O" x3="-1.712600" y3="2.980418" z3="0.851618"/>
<atom id="a11" elementType="O" x3="-2.136363" y3="1.454040" z3="2.352569"/>
<atom id="a12" elementType="H" x3="-2.336931" y3="2.237746" z3="2.854960"/>
<atom id="a13" elementType="C" x3="2.077142" y3="-0.659269" z3="-0.954652"/>
<atom id="a14" elementType="O" x3="2.474213" y3="-1.306372" z3="-2.077906"/>
<atom id="a15" elementType="O" x3="2.957288" y3="-0.117422" z3="-0.315823"/>
<atom id="a16" elementType="H" x3="0.393017" y3="-2.759613" z3="-0.847426"/>
<atom id="a17" elementType="H" x3="-0.648080" y3="-2.087987" z3="0.215885"/>
<atom id="a18" elementType="H" x3="0.053951" y3="-0.554247" z3="-1.683832"/>
<atom id="a19" elementType="H" x3="3.420918" y3="-1.255912" z3="-2.166109"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a13" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a3 a5" order="1"/>
<bond atomRefs2="a3 a6" 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 a11" order="1"/>
<bond atomRefs2="a11 a12" order="1"/>
<bond atomRefs2="a13 a15" order="2"/>
<bond atomRefs2="a1 a16" order="1"/>
<bond atomRefs2="a1 a17" order="1"/>
<bond atomRefs2="a2 a18" order="1"/>
<bond atomRefs2="a13 a14" order="1"/>
<bond atomRefs2="a14 a19" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">147.1293</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">147.0531578</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<!-- decomposition -->
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">205</scalar>
</property>
</propertyList>
</molecule>
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