/usr/share/avogadro/fragments/carbohydrates/d-ribose.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 | <?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_d-ribose">
<formula concise=" C 5 H 10 O 5 "/>
<identifier convention="iupac:inchi" value="1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1"/>
<name convention="IUPAC">(2R,3R,4R)-2,3,4,5-Tetrahydroxypentanal</name>
<atomArray>
<atom id="a1" elementType="C" x3="2.128791" y3="-0.907560" z3="0.130137"/>
<atom id="a2" elementType="C" x3="1.043792" y3="0.192187" z3="0.028498"/>
<atom id="a3" elementType="C" x3="-0.384616" y3="-0.427916" z3="0.123554"/>
<atom id="a4" elementType="C" x3="-1.478974" y3="0.685300" z3="0.038518"/>
<atom id="a5" elementType="C" x3="-2.866688" y3="0.056435" z3="0.176838"/>
<atom id="a6" elementType="O" x3="3.398594" y3="-0.379419" z3="0.391147"/>
<atom id="a7" elementType="O" x3="1.252372" y3="0.836752" z3="-1.208168"/>
<atom id="a8" elementType="O" x3="-0.561256" y3="-1.188065" z3="1.292515"/>
<atom id="a9" elementType="O" x3="-1.315271" y3="1.467127" z3="-1.122353"/>
<atom id="a10" elementType="O" x3="-3.642905" y3="-0.016776" z3="-0.745584"/>
<atom id="a11" elementType="H" x3="2.140826" y3="-1.537105" z3="-0.781243"/>
<atom id="a12" elementType="H" x3="1.950624" y3="-1.566737" z3="0.997939"/>
<atom id="a13" elementType="H" x3="1.178106" y3="0.940056" z3="0.851207"/>
<atom id="a14" elementType="H" x3="-0.536504" y3="-1.182459" z3="-0.682245"/>
<atom id="a15" elementType="H" x3="-1.336592" y3="1.436967" z3="0.850374"/>
<atom id="a16" elementType="H" x3="-3.126169" y3="-0.339459" z3="1.170779"/>
<atom id="a17" elementType="H" x3="3.632951" y3="0.173412" z3="-0.344245"/>
<atom id="a18" elementType="H" x3="0.501564" y3="1.415426" z3="-1.345141"/>
<atom id="a19" elementType="H" x3="-0.247201" y3="-0.669750" z3="2.024153"/>
<atom id="a20" elementType="H" x3="-1.731443" y3="1.011584" z3="-1.846679"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="1"/>
<bond atomRefs2="a2 a3" order="1"/>
<bond atomRefs2="a3 a4" order="1"/>
<bond atomRefs2="a4 a5" order="1"/>
<bond atomRefs2="a1 a6" order="1"/>
<bond atomRefs2="a2 a7" order="1"/>
<bond atomRefs2="a3 a8" order="1"/>
<bond atomRefs2="a4 a9" order="1"/>
<bond atomRefs2="a5 a10" order="2"/>
<bond atomRefs2="a1 a11" order="1"/>
<bond atomRefs2="a1 a12" order="1"/>
<bond atomRefs2="a2 a13" order="1"/>
<bond atomRefs2="a3 a14" order="1"/>
<bond atomRefs2="a4 a15" order="1"/>
<bond atomRefs2="a5 a16" order="1"/>
<bond atomRefs2="a6 a17" order="1"/>
<bond atomRefs2="a7 a18" order="1"/>
<bond atomRefs2="a8 a19" order="1"/>
<bond atomRefs2="a9 a20" order="1"/>
</bondArray>
<propertyList>
<property dictRef="cml:molwt" title="Molecular weight">
<scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">150.1299</scalar>
</property>
<property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
<scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">150.0528234</scalar>
</property>
</propertyList>
</molecule>
|