/usr/share/avogadro/fragments/aromatics/phthalimide.cml is in avogadro-data 1.2.0-3.
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 | <?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_isoindole-1_3-dione">
<formula concise=" C 8 H 5 N 1 O 2 "/>
<identifier convention="iupac:inchi" value="1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)"/>
<name convention="IUPAC">Isoindole-1,3-dione</name>
<atomArray>
<atom id="a1" elementType="C" x3="2.116694" y3="0.712043" z3="0.113652"/>
<atom id="a2" elementType="C" x3="2.128626" y3="-0.674500" z3="0.118601"/>
<atom id="a3" elementType="C" x3="0.935242" y3="-1.409432" z3="0.055548"/>
<atom id="a4" elementType="C" x3="-0.249886" y3="-0.709229" z3="-0.011489"/>
<atom id="a5" elementType="C" x3="-0.262080" y3="0.704765" z3="-0.016558"/>
<atom id="a6" elementType="C" x3="0.910773" y3="1.425831" z3="0.045434"/>
<atom id="a7" elementType="C" x3="-1.676974" y3="1.169475" z3="-0.095457"/>
<atom id="a8" elementType="N" x3="-2.486862" y3="-0.021954" z3="-0.136181"/>
<atom id="a9" elementType="C" x3="-1.656517" y3="-1.198915" z3="-0.086958"/>
<atom id="a10" elementType="O" x3="-2.156557" y3="2.282396" z3="-0.125142"/>
<atom id="a11" elementType="O" x3="-2.116316" y3="-2.320318" z3="-0.108603"/>
<atom id="a12" elementType="H" x3="3.061778" y3="1.264353" z3="0.163715"/>
<atom id="a13" elementType="H" x3="3.082946" y3="-1.210261" z3="0.172530"/>
<atom id="a14" elementType="H" x3="0.945803" y3="-2.504825" z3="0.059552"/>
<atom id="a15" elementType="H" x3="0.902519" y3="2.521232" z3="0.041598"/>
<atom id="a16" elementType="H" x3="-3.479189" y3="-0.030662" z3="-0.190243"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="2"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="2"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a5 a6" order="2"/>
<bond atomRefs2="a6 a1" order="1"/>
<bond atomRefs2="a5 a7" order="1"/>
<bond atomRefs2="a7 a8" order="1"/>
<bond atomRefs2="a8 a9" order="1"/>
<bond atomRefs2="a9 a4" order="1"/>
<bond atomRefs2="a7 a10" order="2"/>
<bond atomRefs2="a9 a11" order="2"/>
<bond atomRefs2="a1 a12" order="1"/>
<bond atomRefs2="a2 a13" order="1"/>
<bond atomRefs2="a3 a14" order="1"/>
<bond atomRefs2="a6 a15" order="1"/>
<bond atomRefs2="a8 a16" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">147.1308</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">147.0320284</scalar>
</property>
<property dictRef="cml:mp" title="Melting point">
<scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">238</scalar>
</property>
</propertyList>
</molecule>
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