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molecule041.ct 415 B

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  1. molecule040.ct
  2. 9 8
  3. -1.8750 0.7500 0.0000 C
  4. -0.3750 0.7500 0.0000 C
  5. -0.3750 -0.7500 0.0000 C
  6. 1.1250 -0.7500 0.0000 C
  7. 1.8750 -2.0490 0.0000 C
  8. -0.3750 -2.2500 0.0000 C
  9. -1.8750 -0.7500 0.0000 C
  10. -0.3750 2.2500 0.0000 C
  11. 1.1250 0.7500 0.0000 C
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  13. 2 3 1 1
  14. 3 4 1 1
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  16. 3 6 1 1
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  19. 2 9 1 1

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