HMDB0031872
     RDKit          3D
Methyl propyl disulfide
 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.8410    0.3087   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -0.7058   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4752    0.0690   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021   -1.0750   -0.5454 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722   -0.1266   -1.4919 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    0.2808   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8309    0.7470    0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010   -0.2305   -0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    1.1011   -0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419   -1.4178   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803   -1.2441    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861    0.9637   -0.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6098    0.3045   -1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5939   -0.4446    0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7204    0.2106   -0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    1.2590    0.2673 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  1  0
  5  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
M  END