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klauswarzecha

tetramethylchloropentane

May 16th, 2015
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XML 3.42 KB | None | 0 0
  1. <molecule>
  2.  <atomArray>
  3.   <atom id="a1" elementType="C" x3="-6.068941" y3="-0.567457" z3="-0.468414"/>
  4.   <atom id="a2" elementType="C" x3="-4.848753" y3="0.278192" z3="-0.000739"/>
  5.   <atom id="a3" elementType="C" x3="-3.625281" y3="0.067278" z3="-0.985908"/>
  6.   <atom id="a4" elementType="C" x3="-2.269371" y3="0.875048" z3="-0.838924"/>
  7.   <atom id="a5" elementType="C" x3="-1.177199" y3="0.170442" z3="-1.693229"/>
  8.   <atom id="a6" elementType="C" x3="-5.310856" y3="1.739443" z3="0.094809"/>
  9.   <atom id="a7" elementType="C" x3="-4.534305" y3="-0.234236" z3="1.424219"/>
  10.   <atom id="a8" elementType="C" x3="-1.731822" y3="0.895388" z3="0.602027"/>
  11.   <atom id="a9" elementType="C" x3="-2.345900" y3="2.338044" z3="-1.329449"/>
  12.   <atom id="a10" elementType="Cl" x3="-4.191746" y3="0.186313" z3="-2.719511"/>
  13.   <atom id="a11" elementType="H" x3="-5.783793" y3="-1.612780" z3="-0.632823"/>
  14.   <atom id="a12" elementType="H" x3="-6.515346" y3="-0.180710" z3="-1.390149"/>
  15.   <atom id="a13" elementType="H" x3="-6.870087" y3="-0.560300" z3="0.280770"/>
  16.   <atom id="a14" elementType="H" x3="-3.360437" y3="-0.994469" z3="-0.892018"/>
  17.   <atom id="a15" elementType="H" x3="-1.058107" y3="-0.877001" z3="-1.393649"/>
  18.   <atom id="a16" elementType="H" x3="-0.202411" y3="0.658187" z3="-1.572548"/>
  19.   <atom id="a17" elementType="H" x3="-1.408936" y3="0.191610" z3="-2.762757"/>
  20.   <atom id="a18" elementType="H" x3="-5.481196" y3="2.176963" z3="-0.893968"/>
  21.   <atom id="a19" elementType="H" x3="-4.584517" y3="2.357810" z3="0.629155"/>
  22.   <atom id="a20" elementType="H" x3="-6.252422" y3="1.817728" z3="0.651675"/>
  23.   <atom id="a21" elementType="H" x3="-4.066787" y3="-1.224488" z3="1.395067"/>
  24.   <atom id="a22" elementType="H" x3="-5.448499" y3="-0.324035" z3="2.024028"/>
  25.   <atom id="a23" elementType="H" x3="-3.886129" y3="0.438620" z3="1.986266"/>
  26.   <atom id="a24" elementType="H" x3="-2.312195" y3="1.567946" z3="1.239032"/>
  27.   <atom id="a25" elementType="H" x3="-0.700012" y3="1.266713" z3="0.635614"/>
  28.   <atom id="a26" elementType="H" x3="-1.724726" y3="-0.107669" z3="1.040784"/>
  29.   <atom id="a27" elementType="H" x3="-2.619588" y3="2.411926" z3="-2.386182"/>
  30.   <atom id="a28" elementType="H" x3="-1.370784" y3="2.830548" z3="-1.226459"/>
  31.   <atom id="a29" elementType="H" x3="-3.056455" y3="2.934642" z3="-0.755803"/>
  32.  </atomArray>
  33.  <bondArray>
  34.   <bond atomRefs2="a1 a2" order="1"/>
  35.   <bond atomRefs2="a2 a3" order="1"/>
  36.   <bond atomRefs2="a3 a4" order="1"/>
  37.   <bond atomRefs2="a4 a5" order="1"/>
  38.   <bond atomRefs2="a2 a6" order="1"/>
  39.   <bond atomRefs2="a2 a7" order="1"/>
  40.   <bond atomRefs2="a4 a8" order="1"/>
  41.   <bond atomRefs2="a4 a9" order="1"/>
  42.   <bond atomRefs2="a3 a10" order="1"/>
  43.   <bond atomRefs2="a1 a11" order="1"/>
  44.   <bond atomRefs2="a1 a12" order="1"/>
  45.   <bond atomRefs2="a1 a13" order="1"/>
  46.   <bond atomRefs2="a3 a14" order="1"/>
  47.   <bond atomRefs2="a5 a15" order="1"/>
  48.   <bond atomRefs2="a5 a16" order="1"/>
  49.   <bond atomRefs2="a5 a17" order="1"/>
  50.   <bond atomRefs2="a6 a18" order="1"/>
  51.   <bond atomRefs2="a6 a19" order="1"/>
  52.   <bond atomRefs2="a6 a20" order="1"/>
  53.   <bond atomRefs2="a7 a21" order="1"/>
  54.   <bond atomRefs2="a7 a22" order="1"/>
  55.   <bond atomRefs2="a7 a23" order="1"/>
  56.   <bond atomRefs2="a8 a24" order="1"/>
  57.   <bond atomRefs2="a8 a25" order="1"/>
  58.   <bond atomRefs2="a8 a26" order="1"/>
  59.   <bond atomRefs2="a9 a27" order="1"/>
  60.   <bond atomRefs2="a9 a28" order="1"/>
  61.   <bond atomRefs2="a9 a29" order="1"/>
  62.  </bondArray>
  63. </molecule>
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