HMDB0060624
     RDKit          3D
Ethionamide sulphoxide
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1270    0.1141   -0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994    0.7639    0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    0.0496    0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776    0.5076   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1810   -0.0697    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    0.4310   -0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159   -0.2732   -1.3507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8743    1.9198    0.0207 S   0  0  0  0  0  4  0  0  0  0  0  0
   -3.8346    1.7751    1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1713   -1.1726    1.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060   -1.5969    1.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755   -1.0144    1.3741 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160   -0.9680   -0.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    0.5540   -1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239    0.3307   -0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331    0.6894    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2722    1.8058   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    1.3632   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9150   -0.9341   -1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039   -0.1695   -2.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1342   -1.6517    1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181   -2.4542    2.2612 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  1  0
  6  7  1  0
  6  8  2  0
  8  9  2  0
  5 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  4 18  1  0
  7 19  1  0
  7 20  1  0
 10 21  1  0
 11 22  1  0
M  END