HMDB0246578
     RDKit          3D
4-Pyridylethylmercaptan
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.6527    0.7566   -0.0187 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699    0.8786    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1474   -0.2385   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030   -0.2185   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8453   -0.9056    0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2038   -0.9248    1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9845   -0.2340    0.2196 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    0.4371   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1539    0.4681   -1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.5240    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129    0.9750    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367    1.8340   -0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3341   -0.1984   -1.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356   -1.1937   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2159   -1.4658    1.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6617   -1.4532    1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1554    0.9905   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7286    1.0169   -1.9203 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
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
M  END