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  1. 12 12
  2. -7.3437 3.5706 0.0000 C
  3. -8.0582 3.1580 0.0000 C
  4. -8.0582 2.3330 0.0000 C
  5. -7.3437 1.9205 0.0000 C
  6. -6.6293 2.3330 0.0000 C
  7. -6.6293 3.1580 0.0000 C
  8. -7.9271 4.1539 0.0000 C
  9. -6.7604 4.1539 0.0000 C
  10. -5.9148 1.9205 0.0000 C
  11. -7.3437 1.0955 0.0000 O
  12. -8.7727 3.5705 0.0000 C
  13. -8.7757 4.5720 0.0000 O
  14. 1 2 1 1
  15. 2 3 2 2
  16. 3 4 1 1
  17. 4 5 1 1
  18. 5 6 2 2
  19. 1 6 1 1
  20. 1 7 1 1
  21. 1 8 1 1
  22. 5 9 1 1
  23. 4 10 1 1
  24. 2 11 1 1
  25. 11 12 2 2

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