HMDB0005843
     RDKit          3D
Allyl isothiocyanate
 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.1005    0.9828   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592   -0.3132   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906   -1.0974    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388   -0.2309    1.0683 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.3384    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    1.6036    0.2117 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    1.5196   -0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582    1.5219    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.8294   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7643   -1.5672   -0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -1.9281    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  2  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  3 10  1  0
  3 11  1  0
M  END