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1,3-diisopropoxypropane.ct 501 B

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  1. 11 10
  2. 0.0000 0.0000 0.0000 C
  3. 0.0000 0.0000 0.0000 C
  4. 0.0000 0.0000 0.0000 C
  5. 0.0000 0.0000 0.0000 C
  6. 0.0000 0.0000 0.0000 C
  7. 0.0000 0.0000 0.0000 C
  8. 0.0000 0.0000 0.0000 C
  9. 0.0000 0.0000 0.0000 C
  10. 0.0000 0.0000 0.0000 C
  11. 0.0000 0.0000 0.0000 O
  12. 0.0000 0.0000 0.0000 O
  13. 1 8 1 1
  14. 2 8 1 1
  15. 3 9 1 1
  16. 4 9 1 1
  17. 5 6 1 1
  18. 5 7 1 1
  19. 6 10 1 1
  20. 7 11 1 1
  21. 8 10 1 1
  22. 9 11 1 1

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