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  1. 12 12
  2. -9.3973 5.5795 0.0000 C
  3. -10.1118 5.1670 0.0000 C
  4. -10.1118 4.3420 0.0000 C
  5. -9.3973 3.9294 0.0000 C
  6. -8.6829 4.3420 0.0000 C
  7. -8.6829 5.1670 0.0000 C
  8. -7.9684 5.5795 0.0000 C
  9. -7.9684 3.9295 0.0000 C
  10. -7.9684 6.4045 0.0000 O
  11. -9.9807 6.1628 0.0000 C
  12. -8.6829 5.9920 0.0000 C
  13. -7.2539 5.1670 0.0000 O
  14. 1 2 1 1
  15. 2 3 1 1
  16. 3 4 1 1
  17. 4 5 2 2
  18. 5 6 1 1
  19. 1 6 1 1
  20. 6 7 1 1
  21. 5 8 1 1
  22. 7 9 1 1
  23. 1 10 1 1
  24. 1 11 1 1
  25. 7 12 2 2

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