HMDB0031698
     RDKit          3D
S-(3-Methyl-2-butenyl) ethanethioate
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.4459   -0.2444    0.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0024    1.1386    0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7664    1.9116    1.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683    1.6593    0.5146 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180    0.2644   -0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607    0.5973   -0.6727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8730   -0.0780   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.2702   -0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -1.1683    0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0003   -0.6553   -0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1671   -0.9345    1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5348   -0.2396    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407   -0.5175    0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848   -0.1182   -1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    1.3900   -1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9872    0.1121    0.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413   -0.3760   -1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3287    1.3068   -0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9923   -1.9673    0.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243   -1.6552    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017   -0.6964    1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END