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ethyl_methyl_sulfide.ct 177 B

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  1. 4 3
  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 S
  6. 1 3 1 1
  7. 2 4 1 1
  8. 3 4 1 1

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