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  1. 11 11
  2. -8.9286 6.6956 0.0000 C
  3. -9.6430 6.2830 0.0000 C
  4. -9.6430 5.4580 0.0000 C
  5. -8.9286 5.0455 0.0000 C
  6. -8.2141 5.4580 0.0000 C
  7. -8.2141 6.2830 0.0000 C
  8. -10.3575 5.0455 0.0000 C
  9. -7.4996 5.0455 0.0000 C
  10. -8.2141 4.6330 0.0000 C
  11. -10.3575 6.6955 0.0000 C
  12. -11.0720 6.2830 0.0000 O
  13. 1 2 1 1
  14. 2 3 2 2
  15. 3 4 1 1
  16. 4 5 1 1
  17. 5 6 1 1
  18. 1 6 1 1
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  20. 5 8 1 1
  21. 5 9 1 1
  22. 2 10 1 1
  23. 10 11 2 2

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