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molecule006.ct 233 B

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  1. molecule5.ct
  2. 5 4
  3. 0.0000 -1.5000 0.0000 C
  4. 0.0000 -0.0000 0.0000 C
  5. -1.5000 -0.0000 0.0000 C
  6. 0.0000 1.5000 0.0000 C
  7. 1.5000 -0.0000 0.0000 C
  8. 1 2 1 1
  9. 2 3 1 1
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  11. 2 5 1 1

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