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graphkit-learn/datasets/Alkane/molecule103.ct

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  1. molecule102.ct

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  8.    -2.4240   -0.5490    0.0000 C

  9.    -0.1740    2.2500    0.0000 C

  10.     1.1250    3.0000    0.0000 C

  11.     1.3260    0.7500    0.0000 C

  12.     1.1250   -3.0000    0.0000 C

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