
     RDKit          2D

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  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  0
  9  7  1  1
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 10 11  1  0
 11 12  1  0
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 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
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 27 28  1  6
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 48 49  1  0
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 56 57  1  0
 57 58  2  0
 57 59  1  0
 59 60  1  0
 61 60  1  1
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 63 64  1  0
 64 65  1  0
 65 66  1  6
 66 67  1  0
 67 68  3  0
 63 69  1  1
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 70 71  2  0
 71 72  1  0
 71 73  1  0
 73 74  2  0
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 75 76  1  0
 76 77  2  0
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 78 79  1  0
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  5 85  1  0
 85 86  2  0
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 87 88  1  0
 13  9  1  0
 23 18  1  0
 38 33  1  0
 44 39  1  0
 50 45  1  0
 65 61  1  0
 76 69  1  0
 84 79  1  0
M  CHG  2  66  -1  67   1
M  END
$$$$
