HMDB0013593
     RDKit          3D
1,4-Dithiothreitol
 18 17  0  0  0  0  0  0  0  0999 V2000
    0.1098   -1.1011   -1.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278   -0.7620   -0.3486 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3499    0.4760   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    1.0208    1.1988 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -0.7195    0.5689 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2715   -0.3791    1.8779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7835    0.1133    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4129    1.8440   -0.1089 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927   -1.9500   -1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157   -1.5763    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9045    1.3001   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864    0.2003   -1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6572    2.2271    0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198   -1.7784    0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5274   -0.8877    2.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5494    0.0560    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246   -0.3398   -0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0411    2.2563   -1.3201 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
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  1  9  1  0
  2 10  1  1
  3 11  1  0
  3 12  1  0
  4 13  1  0
  5 14  1  1
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
M  END