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molecule011.ct 279 B

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  1. molecule10.ct
  2. 6 5
  3. 2.5981 -1.1250 0.0000 C
  4. 1.2990 -0.3750 0.0000 C
  5. -0.0000 -1.1250 0.0000 C
  6. -1.2990 -0.3750 0.0000 C
  7. -2.5981 -1.1250 0.0000 C
  8. 1.2990 1.1250 0.0000 C
  9. 1 2 1 1
  10. 2 3 1 1
  11. 3 4 1 1
  12. 4 5 1 1
  13. 2 6 1 1

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