HMDB0032410
     RDKit          3D
Methyl 3-(methylthio)butanoate
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.3965   -0.7092    0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483   -0.3766    0.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737    0.5719   -0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1877    1.0911   -1.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0753    1.0109   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791    0.3158    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149   -1.1853    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.9973    0.7955 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2795    0.5774   -0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -1.7508   -0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9835   -0.7417    1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8706   -0.0630   -0.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4512    0.7770   -1.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    2.0990   -0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    0.5041    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8092   -1.4644   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6373   -1.5467    1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707   -1.6068    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284   -0.4678   -1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622    0.6625   -0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996    1.3053   -1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  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
  1 12  1  0
  5 13  1  0
  5 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