HMDB0245070
     RDKit          3D
2-Chloroethyl isocyanate
 10  9  0  0  0  0  0  0  0  0999 V2000
    2.6850    0.4679    0.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -0.3508    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8033   -1.0827    0.1903 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4339   -0.6950   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    0.7050    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.6394    1.8063 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264   -1.3970   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3374   -0.7709   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878    1.0859   -0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0540    1.3981   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  4  8  1  0
  5  9  1  0
  5 10  1  0
M  END