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molecule100.ct 463 B

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  1. molecule09.9.ct
  2. 10 9
  3. -0.3014 1.5000 0.0000 C
  4. 1.1986 1.5000 0.0000 C
  5. 1.1986 0.0000 0.0000 C
  6. -0.1005 -0.7500 0.0000 C
  7. -0.1005 -2.2500 0.0000 C
  8. 1.1986 -3.0000 0.0000 C
  9. -1.3995 0.0000 0.0000 C
  10. -2.6986 -0.7500 0.0000 C
  11. 1.1986 3.0000 0.0000 C
  12. 2.6986 1.5000 0.0000 C
  13. 1 2 1 1
  14. 2 3 1 1
  15. 3 4 1 1
  16. 4 5 1 1
  17. 5 6 1 1
  18. 7 8 1 1
  19. 4 7 1 1
  20. 2 9 1 1
  21. 2 10 1 1

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