File: a4328b217171f6149e2e596f8a92f08682b5e1f0

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rdkit 202503.1-5
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     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.8044   -0.0235   -0.4818 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533   -0.3203    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -0.0428    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764   -0.8720   -0.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    1.2586    0.2647 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  END000