File: 04f5add57012f57e86f82f2f7cb690a5d31eefdf

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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
   -1.1445   -1.2214    0.5097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720    0.0109    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1805    1.0431   -0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608   -0.2831   -0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    0.4504   -0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
M  END000