HMDB0031314
     RDKit          3D
Benzyl methyl sulfide
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.9257   -0.4415    0.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604    1.2310    0.5885 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9922    1.3205   -0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309    0.5421   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791    1.1418    0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284    0.4576    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -0.8617    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405   -1.4963   -0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084   -0.7763   -0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8174   -0.8361    1.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0208   -0.4093    0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238   -1.1306    0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    2.3882   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323    0.9441   -1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634    2.1946    0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.9641    1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4701   -1.4250    0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -2.5323   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -1.2749   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  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  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END