/usr/share/avogadro/fragments/cyclic alkanes/cycloheptane.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 | <?xml version="1.0"?>
<molecule xmlns="http://www.xml-cml.org/schema" id="cycloheptane.out">
<atomArray>
<atom id="a1" elementType="C" x3="-0.885300" y3="-0.209500" z3="-0.514200"/>
<atom id="a2" elementType="C" x3="-0.804500" y3="1.201500" z3="0.086500"/>
<atom id="a3" elementType="C" x3="0.554200" y3="1.878500" z3="-0.131200"/>
<atom id="a4" elementType="H" x3="-1.596700" y3="1.834200" z3="-0.358300"/>
<atom id="a5" elementType="H" x3="-1.027800" y3="1.158100" z3="1.170300"/>
<atom id="a6" elementType="C" x3="1.730900" y3="1.088200" z3="0.459500"/>
<atom id="a7" elementType="H" x3="0.717900" y3="2.038200" z3="-1.214800"/>
<atom id="a8" elementType="H" x3="0.531200" y3="2.889700" z3="0.320500"/>
<atom id="a9" elementType="C" x3="2.108300" y3="-0.132600" z3="-0.390700"/>
<atom id="a10" elementType="H" x3="2.606700" y3="1.760800" z3="0.542300"/>
<atom id="a11" elementType="H" x3="1.495500" y3="0.773200" z3="1.493400"/>
<atom id="a12" elementType="C" x3="1.351000" y3="-1.420300" z3="-0.035900"/>
<atom id="a13" elementType="H" x3="1.950800" y3="0.102800" z3="-1.461700"/>
<atom id="a14" elementType="H" x3="3.194500" y3="-0.325700" z3="-0.288500"/>
<atom id="a15" elementType="C" x3="-0.131900" y3="-1.250500" z3="0.325100"/>
<atom id="a16" elementType="H" x3="1.440200" y3="-2.123500" z3="-0.887700"/>
<atom id="a17" elementType="H" x3="1.858900" y3="-1.916700" z3="0.814800"/>
<atom id="a18" elementType="H" x3="-0.631800" y3="-2.233900" z3="0.221200"/>
<atom id="a19" elementType="H" x3="-0.217300" y3="-0.987100" z3="1.397900"/>
<atom id="a20" elementType="H" x3="-0.498700" y3="-0.201800" z3="-1.550800"/>
<atom id="a21" elementType="H" x3="-1.948900" y3="-0.507400" z3="-0.592500"/>
</atomArray>
<bondArray>
<bond atomRefs2=" a20 a1" order=" 1"/>
<bond atomRefs2=" a13 a9" order=" 1"/>
<bond atomRefs2=" a7 a3" order=" 1"/>
<bond atomRefs2=" a16 a12" order=" 1"/>
<bond atomRefs2=" a21 a1" order=" 1"/>
<bond atomRefs2=" a1 a2" order=" 1"/>
<bond atomRefs2=" a1 a15" order=" 1"/>
<bond atomRefs2=" a9 a14" order=" 1"/>
<bond atomRefs2=" a9 a12" order=" 1"/>
<bond atomRefs2=" a9 a6" order=" 1"/>
<bond atomRefs2=" a4 a2" order=" 1"/>
<bond atomRefs2=" a3 a2" order=" 1"/>
<bond atomRefs2=" a3 a8" order=" 1"/>
<bond atomRefs2=" a3 a6" order=" 1"/>
<bond atomRefs2=" a12 a15" order=" 1"/>
<bond atomRefs2=" a12 a17" order=" 1"/>
<bond atomRefs2=" a2 a5" order=" 1"/>
<bond atomRefs2=" a18 a15" order=" 1"/>
<bond atomRefs2=" a15 a19" order=" 1"/>
<bond atomRefs2=" a6 a10" order=" 1"/>
<bond atomRefs2=" a6 a11" order=" 1"/>
</bondArray>
</molecule>
|