HMDB0059667
     RDKit          3D
3-Methyl sulfolene
 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.1061   -0.1191    0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946   -0.0848    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -1.1140    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4483   -0.9838   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    0.7832   -0.3630 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.3740    1.2837   -1.5128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    1.2554    0.9580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1615    1.1087   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404   -0.7725    1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8236   -0.4907   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716    0.8926    1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946   -2.0872    0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013   -1.4558    0.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959   -1.4020   -1.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775    2.0566   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4271    1.1296   -1.6258 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  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  8 15  1  0
  8 16  1  0
M  END