HMDB0033856
     RDKit          3D
S-Propyl thioacetate
 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.7590   -0.5233    0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -0.1899    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    0.8958   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    1.2991   -0.1059 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -0.0585   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761    0.0211   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548   -1.0764   -0.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2880   -0.3847    1.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237   -1.5850    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2963    0.1090   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    0.0943    1.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -1.1077    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    1.8214    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968    0.6108   -1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8453   -0.6606    0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7846   -0.3200   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402    1.0545   -0.4123 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
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
M  END