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graphkit-learn/datasets/Alkane/molecule147.ct

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  1. molecule146.ct

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  3.     4.5466    1.5000    0.0000 C

  4.     3.2476    0.7500    0.0000 C

  5.     3.2476   -0.7500    0.0000 C

  6.     1.9486   -1.5000    0.0000 C

  7.     0.6495   -0.7500    0.0000 C

  8.    -0.6495   -1.5000    0.0000 C

  9.    -1.9486   -0.7500    0.0000 C

  10.    -3.2476   -1.5000    0.0000 C

  11.    -4.5466   -0.7500    0.0000 C

  12.     0.6495    0.7500    0.0000 C

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