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graphkit-learn/datasets/Alkane/molecule142.ct

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  1. molecule141.ct

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  4.    -3.2476   -0.3750    0.0000 C

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  8.     1.9486   -0.3750    0.0000 C

  9.     3.2476    0.3750    0.0000 C

  10.     3.2476    1.8750    0.0000 C

  11.     4.5466   -0.3750    0.0000 C

  12.    -3.2476   -1.8750    0.0000 C

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