HMDB0303106
     RDKit          3D
Ethyl isopropyl sulfide
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.9989   -0.2148   -0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5904   -0.6791    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    0.7792    0.4522 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    0.4212    0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210    1.4998    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -0.9331    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3996    0.4637    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6824   -1.0582   -0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9221    0.3878   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -1.2912    1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -1.3534   -0.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4091    0.4548    1.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    1.4797   -1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    2.4927    0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    1.3643    0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -0.8622   -0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8531   -1.7220    0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5366   -1.2292    0.7369 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
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
M  END