HMDB0031161
     RDKit          3D
Methyl pentyl disulfide
 22 21  0  0  0  0  0  0  0  0999 V2000
   -3.6781    0.8928    0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455   -0.2484    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.3948    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4585   -0.7456   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -0.0997   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781   -1.3619   -1.1419 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232   -0.3988   -1.6248 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9653   -0.2205   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4196    1.7406    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010    1.2264    1.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7452    0.6184    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896   -0.9373    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -0.7826   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0220    0.9722    0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447    1.0807   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122   -1.3852    0.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200   -1.3221   -1.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7154    0.6407   -1.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1798    0.4684    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322    0.8641    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961   -0.6043   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066   -0.7927    0.6827 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
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END