HMDB0303164
     RDKit          3D
Heptanenitrile
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.8861    0.9077    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.0976    0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6148   -0.0474   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468   -0.8679    0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530   -1.1230   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    0.1940   -0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    0.9310    0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0655    1.5183    1.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6979    1.9917    0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7851    0.6702    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384    0.6377   -0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1369   -0.9137    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037    0.5596    1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751    0.9149   -0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076   -0.6453   -1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062   -1.8435    0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554   -0.3372    1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899   -1.6674    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -1.7509   -1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    0.7993   -1.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2228   -0.0258   -1.4437 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  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
M  END