HMDB0032115
     RDKit          3D
1-(Methylthio)ethyl 2-propenyl disulfide
 21 20  0  0  0  0  0  0  0  0999 V2000
    4.5776    0.4874    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398   -0.5149    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -0.2470   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174   -1.1848    0.6167 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    0.1568    1.2079 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7793   -0.2532    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -1.7631    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2586    0.3881    0.9614 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8297    1.9373    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    0.2659    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329    1.5072    0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0695   -1.5395    0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1786    0.8448   -0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377   -0.5429   -1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929    0.1634   -0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923   -2.1449   -0.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -2.2557    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810   -2.1421    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9489    1.9231    0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4845    2.0927   -0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5527    2.8215    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  7 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END