HMDB0034236
     RDKit          3D
Benzenepropanenitrile
 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.7231    1.5224    1.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227    0.4990    0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806   -0.8018    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2379   -0.6940   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545   -0.1953   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408    1.1532   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    1.6469    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.7730    0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444   -0.5719    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411   -1.0457    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904   -1.2373   -0.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -1.5137    0.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397   -0.1483   -1.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -1.7503   -1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730    1.9061   -0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974    2.7005    0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809    1.1563    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -1.2698    0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043   -2.1292    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
M  END