File: torsion.etkdg.v2.mol

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rdkit 202503.1-5
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     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.5877   -1.5050   -0.1438 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -1.1902    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    0.1454    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3162    1.1494    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199    0.8045    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    1.8819    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.5213   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7101   -0.8062   -0.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645   -2.1645   -0.4584 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669   -1.9607   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259    0.3446    0.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    2.1795    0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714    2.5156    0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546    1.5181    0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223    2.5446   -0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -2.6016    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5406   -2.3342   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  7  1  1  0
  2 10  1  0
  3 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
  6 15  1  0
  9 16  1  0
  9 17  1  0
M  END