HMDB0033001
     RDKit          3D
2-Methylbenzothiazole
 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4968    0.0644   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274   -0.0822    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948    0.5540   -0.5724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654    0.3203   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2661    0.9225   -0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5308    0.5881   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8392   -0.3458    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752   -0.9469    0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4695   -0.6015    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188   -1.0810    1.1335 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868    1.1047    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287   -0.2486   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838   -0.6635    0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    1.6680   -1.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4230    1.0381   -1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356   -0.6084    0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8943   -1.6821    1.7612 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
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
M  END