HMDB0040034
     RDKit          3D
2-Ethylbenzothiazole
 20 21  0  0  0  0  0  0  0  0999 V2000
    3.4646    0.0403   -0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374   -0.5766    0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -0.4831    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    0.4791    0.6664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7503    0.3846    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484    1.3333    0.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0414    1.1291    0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4906   -0.0056   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204   -0.9538   -0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764   -0.7514   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920   -1.6162   -0.4035 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203    1.0751   -0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5549    0.0686   -0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -0.5269   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660   -0.0189    1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -1.6327    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049    2.2750    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324    1.8674    0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5007   -0.2009   -0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -1.8864   -1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  3  1  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
M  END