HMDB0303478
     RDKit          3D
Hexanenitrile
 18 17  0  0  0  0  0  0  0  0999 V2000
   -1.8514    0.9649    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716   -0.4063   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2520   -0.5131   -0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -0.2986    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253   -0.3852   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809    0.6050   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    1.4085   -1.8270 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436    1.6960   -0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369    1.1935    0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    0.9390    1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487   -1.1409    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218   -0.6372   -1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    0.2174   -1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1369   -1.5196   -1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885   -1.1051    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4075    0.6750    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195   -0.3099    0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065   -1.3833   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
M  END