
     RDKit          3D

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  1  2  1  0
  2  3  2  0
  3  4  1  0
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  7  2  1  0
 13  8  1  0
 27 16  1  0
 31  6  1  0
 24 22  1  0
  1 32  1  0
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  4 36  1  0
  8 37  1  6
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 17 50  1  1
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 26 59  1  0
 26 60  1  0
 30 61  1  0
 30 62  1  0
M  END
$$$$
