File: 489e22dbe4511e5ffe0cdf6ffa943e6072ca2103

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rdkit 202209.3-1
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     RDKit          2D

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    1.2990    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  RAD  1   4   2
M  END000