HMDB0032271
     RDKit          3D
Ethyl 3-mercaptobutyrate
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.0245    0.5569    0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946   -0.2339   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337   -0.8802   -0.6195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446   -0.1909   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319    1.0663   -0.3686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.9026   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998    0.0750   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472    0.8871    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7502   -0.8641   -0.1935 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    1.6518    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.2049    1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0591    0.3488    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7574    0.3543   -1.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489   -1.0649   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274   -1.6745    0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -1.4005   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564    0.7863   -1.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    1.8263    0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352    0.3120    1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0727    1.0995    1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7042   -1.9577   -1.0454 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
M  END