File: b619358d2028ee9f1196a27352d06e579ba169a0

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rdkit 202503.6-2
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     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.0042    0.0964   -0.1742 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518   -0.6210    0.0694 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5368    0.0803    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086    1.2646   -0.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5107   -0.8203    0.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
M  RAD  1   2   2
M  END000