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molecule004.ct 188 B

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  1. molecule3.ct
  2. 4 3
  3. 1.1250 1.2990 0.0000 C
  4. 0.3750 -0.0000 0.0000 C
  5. 1.1250 -1.2990 0.0000 C
  6. -1.1250 -0.0000 0.0000 C
  7. 1 2 1 1
  8. 2 3 1 1
  9. 2 4 1 1

A Python package for graph kernels, graph edit distances and graph pre-image problem.