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  1. 12 11
  2. -5.5580 1.4732 0.0000 C
  3. -4.8436 1.8857 0.0000 C
  4. -4.1291 1.4732 0.0000 C
  5. -4.8436 2.7107 0.0000 O
  6. -5.5580 0.6482 0.0000 C
  7. -4.1291 0.6482 0.0000 C
  8. -4.8436 0.2357 0.0000 C
  9. -4.8436 -0.5893 0.0000 C
  10. -5.5580 -1.0018 0.0000 C
  11. -4.1291 -1.0018 0.0000 C
  12. -5.5581 2.2982 0.0000 C
  13. -4.1291 -1.8268 0.0000 O
  14. 1 2 1 1
  15. 2 3 1 1
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  18. 3 6 1 1
  19. 6 7 1 1
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  23. 2 11 1 1
  24. 10 12 2 2

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