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Coordinates from ORCA-job buthen E -157.176702559214
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  H      -2.018945     -1.174085     -0.000553
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  H       2.500908     -0.290541     -0.882130
  H       2.018949      1.174083     -0.000063
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Coordinates from ORCA-job buthen E -157.176712057031
  C      -1.959877     -0.079277      0.000004
  H      -2.499490      0.289728      0.881175
  H      -2.016222     -1.173342     -0.000486
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  H       2.499667     -0.290171     -0.880867
  H       2.016224      1.173340     -0.000025
12
Coordinates from ORCA-job buthen E -157.176713682302
  C      -1.959605     -0.079282      0.000006
  H      -2.499372      0.289764      0.880878
  H      -2.014323     -1.173296     -0.000416
  H      -2.499572      0.290468     -0.880444
  C      -0.535228      0.396628      0.000031
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  H       2.499510     -0.290115     -0.880633
  H       2.014324      1.173295      0.000014
