/usr/share/avogadro/fragments/amino_acids/D-asparagine.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 | <?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-carbamoylpropanoic_acid">
<formula concise=" C 4 H 8 N 2 O 3 "/>
<identifier convention="iupac:inchi" value="1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1"/>
<name convention="IUPAC">(2R)-2-Amino-3-carbamoylpropanoic acid</name>
<atomArray>
<atom id="a1" elementType="H" x3="0.647163" y3="0.099602" z3="-1.638775"/>
<atom id="a2" elementType="C" x3="-0.002014" y3="-0.353586" z3="-0.844957"/>
<atom id="a3" elementType="C" x3="-1.305003" y3="-0.804343" z3="-1.498354"/>
<atom id="a4" elementType="O" x3="-1.634491" y3="-0.696485" z3="-2.663057"/>
<atom id="a5" elementType="O" x3="-2.217893" y3="-1.370408" z3="-0.672632"/>
<atom id="a6" elementType="H" x3="-2.992810" y3="-1.614980" z3="-1.168702"/>
<atom id="a7" elementType="C" x3="-0.325010" y3="0.713144" z3="0.212565"/>
<atom id="a8" elementType="C" x3="0.933591" y3="1.429443" z3="0.658794"/>
<atom id="a9" elementType="H" x3="-1.018680" y3="1.460647" z3="-0.223550"/>
<atom id="a10" elementType="N" x3="0.713359" y3="-1.545155" z3="-0.335065"/>
<atom id="a11" elementType="H" x3="0.269350" y3="-1.899658" z3="0.485780"/>
<atom id="a12" elementType="H" x3="1.658395" y3="-1.302647" z3="-0.127401"/>
<atom id="a13" elementType="O" x3="1.572296" y3="2.211284" z3="-0.035782"/>
<atom id="a14" elementType="N" x3="1.424722" y3="1.172592" z3="1.940062"/>
<atom id="a15" elementType="H" x3="-0.874205" y3="0.268246" z3="1.069614"/>
<atom id="a16" elementType="H" x3="0.920437" y3="0.592187" z3="2.563613"/>
<atom id="a17" elementType="H" x3="2.230792" y3="1.640117" z3="2.277848"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a2 a7" order="1"/>
<bond atomRefs2="a2 a10" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a3 a5" order="1"/>
<bond atomRefs2="a5 a6" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a7 a9" order="1"/>
<bond atomRefs2="a10 a11" order="1"/>
<bond atomRefs2="a10 a12" order="1"/>
<bond atomRefs2="a8 a13" order="2"/>
<bond atomRefs2="a8 a14" order="1"/>
<bond atomRefs2="a7 a15" order="1"/>
<bond atomRefs2="a14 a16" order="1"/>
<bond atomRefs2="a14 a17" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">132.1179</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">132.0534921</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<!-- decomposition -->
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">280</scalar>
</property>
</propertyList>
</molecule>
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