HMDB0033969
     RDKit          3D
Benzyl isothiocyanate
 17 17  0  0  0  0  0  0  0  0999 V2000
    3.4182    1.9098    0.3545 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738    0.5075   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5728   -0.7409   -0.2198 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942   -1.3974    0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676   -0.5703    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584    0.3120    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    1.0813    0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584    0.9898   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297    0.1073   -1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869   -0.6581   -1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -2.3692   -0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681   -1.6297    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    0.3905    1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.7808    1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0481    1.6003   -0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    0.0397   -2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -1.3534   -1.8575 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
M  END