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Coordinates from ORCA-job buthen E -157.175087309266
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  H       1.054038     -1.477958     -0.000116
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  C       0.667822      0.665094      0.000002
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  H      -2.243470     -0.504689     -0.881544
  H      -1.054037     -1.477958      0.000003
12
Coordinates from ORCA-job buthen E -157.175098799317
  C       1.585139     -0.523432      0.000011
  H       2.239570     -0.506799     -0.880426
  H       1.047095     -1.475606     -0.000098
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  H      -2.239500     -0.506855      0.880477
  H      -2.239483     -0.506857     -0.880514
  H      -1.047094     -1.475606     -0.000003
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Coordinates from ORCA-job buthen E -157.175099638329
  C       1.584310     -0.523804      0.000012
  H       2.238637     -0.507721     -0.880380
  H       1.044348     -1.474652     -0.000082
  H       2.238503     -0.507820      0.880507
  C       0.667665      0.667353      0.000008
  H       1.170605      1.635425      0.000017
  C      -0.667665      0.667354     -0.000002
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  H      -2.238580     -0.507772      0.880421
  H      -2.238559     -0.507771     -0.880466
  H      -1.044347     -1.474652     -0.000007
