HMDB0249030
     RDKit          3D
2(3H)-Benzothiazolone
 15 16  0  0  0  0  0  0  0  0999 V2000
    3.8284    0.9178   -0.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    0.7144   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496   -0.3930   -0.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -0.3413   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281   -1.4499    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743   -1.2445    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755   -0.0123    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    1.0659   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441    0.8919   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    1.9111   -0.2266 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4346    0.2704    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662   -2.4538    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762   -2.0900    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353    0.1313    0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8858    2.0820   -0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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 10  1  0
 10  2  1  0
  9  4  1  0
  1 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
M  END