File: torsion.etkdg.v2.mol

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rdkit 201809.1%2Bdfsg-6
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     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.5483   -1.5002   -0.2145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718   -1.2649   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899    0.0287    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146    1.0853    0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687    0.7980    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9607    1.8587    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548   -0.4897   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7131   -0.7196   -0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080   -2.0147   -0.4683 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132   -2.0566   -0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357    0.2365    0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1010    0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6042    2.5574    1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413    1.4928    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    2.4583   -0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6812   -2.4108    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -2.1601   -1.4041 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
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  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