File: dff7ba6c3ecae59fb174cc3bf2d9753ba125e52c

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rdkit 202209.3-1
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     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.4663    0.7934    0.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -0.0358   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786   -1.0371   -0.6791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864    0.4846    0.3200 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0000   -0.2051   -0.1205 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