COMPND    HMDB0304913
HETATM    1  O1  UNL     1       3.810   0.539   1.751  1.00  0.00           O  
HETATM    2  S1  UNL     1       3.733   1.840   1.020  1.00  0.00           S  
HETATM    3  O2  UNL     1       3.366   2.922   2.000  1.00  0.00           O  
HETATM    4  O3  UNL     1       5.250   2.279   0.394  1.00  0.00           O1-
HETATM    5  O4  UNL     1       2.550   1.849  -0.195  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.811   0.754  -0.562  1.00  0.00           C  
HETATM    7  C2  UNL     1       2.158  -0.137  -1.532  1.00  0.00           C  
HETATM    8  C3  UNL     1       1.343  -1.211  -1.827  1.00  0.00           C  
HETATM    9  C4  UNL     1       0.150  -1.424  -1.156  1.00  0.00           C  
HETATM   10  N1  UNL     1      -0.794  -2.379  -1.255  1.00  0.00           N  
HETATM   11  C5  UNL     1      -1.780  -2.169  -0.381  1.00  0.00           C  
HETATM   12  C6  UNL     1      -1.428  -1.004   0.307  1.00  0.00           C  
HETATM   13  C7  UNL     1      -2.259  -0.384   1.354  1.00  0.00           C  
HETATM   14  C8  UNL     1      -3.075   0.728   0.765  1.00  0.00           C  
HETATM   15  O5  UNL     1      -2.231   1.679   0.223  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.221  -0.539  -0.175  1.00  0.00           C  
HETATM   17  C10 UNL     1       0.607   0.540   0.116  1.00  0.00           C  
HETATM   18  H1  UNL     1       3.093   0.035  -2.054  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.621  -1.921  -2.603  1.00  0.00           H  
HETATM   20  H3  UNL     1      -0.758  -3.171  -1.921  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.680  -2.759  -0.215  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.854  -1.116   1.933  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.543   0.099   2.078  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.797   1.162   1.491  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.651   0.273  -0.082  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.733   2.299  -0.367  1.00  0.00           H  
HETATM   27  H10 UNL     1       0.310   1.214   0.891  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    5    6
CONECT    6    7    7   17
CONECT    7    8   18
CONECT    8    9    9   19
CONECT    9   10   16
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   13   16
CONECT   13   14   22   23
CONECT   14   15   24   25
CONECT   15   26
CONECT   16   17   17
CONECT   17   27
END