HMDB0038436
     RDKit          3D
6-Isothiocyanato-1-hexene
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.8216    1.4489   -0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6488    0.9956   -0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -0.4160   -1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -1.1096   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   -0.4176   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -1.0264    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632   -0.2331    0.2508 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344    0.9773    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4685    2.5134    1.0327 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9034    2.4808    0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6431    0.7536   -0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909    1.6545   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1570   -0.3855   -2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407   -0.9656   -1.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7915   -1.2561    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3304   -2.1506   -0.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620   -0.4505   -1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701    0.6429    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1928   -2.0476    0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298   -1.0084    1.5815 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  2  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
M  END