HMDB0253699
     RDKit          3D
Isothiocyanatobenzene
 14 14  0  0  0  0  0  0  0  0999 V2000
    4.1747    0.1858    0.5584 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453    0.0224   -0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931   -0.0767   -1.1660 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6196   -0.0461   -0.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186    1.1593   -0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756    1.1982    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8777    0.0362    0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441   -1.1978    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289   -1.2202   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4876    2.0523   -0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459    2.1548    0.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558    0.0102    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6959   -2.1280    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5645   -2.1504   -0.3255 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  5 10  1  0
  6 11  1  0
  7 12  1  0
  8 13  1  0
  9 14  1  0
M  END