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  1. 11 12
  2. -6.8304 3.9723 0.0000 C
  3. -7.5448 3.5598 0.0000 C
  4. -7.5448 2.7348 0.0000 C
  5. -6.8304 2.3223 0.0000 C
  6. -6.1159 2.7348 0.0000 C
  7. -6.1159 3.5598 0.0000 C
  8. -6.8304 4.7973 0.0000 C
  9. -7.6343 2.0545 0.0000 C
  10. -8.4312 1.8409 0.0000 C
  11. -7.6343 1.2295 0.0000 C
  12. -6.1159 5.2098 0.0000 O
  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. 1 6 2 2
  19. 1 7 1 1
  20. 3 8 1 1
  21. 4 8 1 1
  22. 8 9 1 1
  23. 8 10 1 1
  24. 7 11 2 2

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