HMDB0033556
     RDKit          3D
2,5-Dimethyl-1,4-dithiane-2,5-diol
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.7658   -0.6557    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7595    0.3392   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296    1.3650   -1.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7445   -0.2539   -1.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7422    0.8079   -1.2780 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    0.4696    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159   -0.5385    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1382    1.6541    0.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.0547    1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8866    1.0047    1.0407 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6701   -0.0701    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030   -1.4566   -0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671   -1.1487    1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9806    2.2328   -1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4077   -1.2575   -0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963   -0.4014   -2.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502   -1.2946    0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5429   -1.0653   -0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    0.0128   -0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352    1.4507    1.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520   -0.0502    2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3243   -1.0895    0.9315 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  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
M  END