HMDB0030524
     RDKit          3D
2(3H)-Benzothiazolethione
 15 16  0  0  0  0  0  0  0  0999 V2000
    4.3251    0.3707    0.0610 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6694    0.4310    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129   -0.5897    0.0527 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226   -0.3195    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182   -1.2637    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242   -0.8579   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2198    0.4605   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993    1.3842   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1462    0.9854   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7984   -0.0371 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524   -1.5778    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3237   -2.3390    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300   -1.6122    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2644    0.7038   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3982    2.4258   -0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  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 10  1  0
 10  2  1  0
  9  4  1  0
  3 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
M  END