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graphkit-learn/datasets/Alkane/molecule003.ct

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  1. molecule2.ct

  2. 3 2

  3.     1.2990   -0.3750    0.0000 C

  4.     0.0000    0.3750    0.0000 C

  5.    -1.2990   -0.3750    0.0000 C

  6. 1 2  1  1

  7. 2 3  1  1