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Coordinates from ORCA-job buthen E -157.172756182829
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  H      -2.500706      0.290014      0.882484
  H      -2.018945     -1.174085     -0.000553
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  C      -0.535992      0.395999      0.000021
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  C       1.960720      0.079243      0.000007
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  H       2.500908     -0.290541     -0.882130
  H       2.018949      1.174083     -0.000063
12
Coordinates from ORCA-job buthen E -157.172768512816
  C      -1.958660     -0.079199      0.000004
  H      -2.498487      0.289867      0.880967
  H      -2.015451     -1.173294     -0.000486
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  C      -0.535484      0.396377      0.000019
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  C       1.958660      0.079198      0.000007
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  H       2.498665     -0.290309     -0.880658
  H       2.015453      1.173293     -0.000025
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Coordinates from ORCA-job buthen E -157.172769831240
  C      -1.958070     -0.079220      0.000006
  H      -2.498355      0.289944      0.880591
  H      -2.013906     -1.173283     -0.000423
  H      -2.498563      0.290659     -0.880148
  C      -0.535293      0.396677      0.000029
  H      -0.387483      1.479022      0.000136
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  H       0.387482     -1.479021     -0.000177
  C       1.958070      0.079219      0.000005
  H       2.498419     -0.290302      0.880400
  H       2.498498     -0.290303     -0.880340
  H       2.013907      1.173282      0.000011
