HMDB0032467
     RDKit          3D
(+/-)-1-Phenylethylmercaptan
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.2907   -0.7836   -0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496    0.0072    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2556    1.6806    0.5072 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    0.0138    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743    0.5269   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394    0.5005   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008   -0.0438   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -0.5588    1.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347   -0.5335    1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1811   -0.2175   -1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -1.8179   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663   -0.7801   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959   -0.4531    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3921    2.5931   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1961    0.9540   -1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870    0.9119   -1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735   -0.0590   -0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7726   -0.9869    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398   -0.9535    2.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END