File: torsion.etkdg.v2.mol

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     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.6117   -1.4847   -0.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222   -1.1995   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2841    0.1202    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644    1.1308    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    0.7924    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0227    1.8092    0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390   -0.5138   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.7907   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0320   -2.1026   -0.4462 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087   -1.9284   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    0.3575    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6114    2.1686    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7126    2.5248    1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034    1.4211    0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0506    2.4321   -0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6733   -2.4881    0.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404   -2.2489   -1.4218 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
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  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