HMDB0034171
     RDKit          3D
Benzeneacetonitrile
 16 16  0  0  0  0  0  0  0  0999 V2000
    3.0894   -0.1407    2.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6119   -0.1219    1.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9965   -0.0764   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.0026   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    1.2025   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371    1.2634   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816    0.1031   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236   -1.1077   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315   -1.1501   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    0.7315   -0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471   -1.0392   -0.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999    2.1383   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776    2.1961   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3774    0.1210    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196   -2.0236   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -2.0989   -0.2116 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  1  0
  3 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
M  END