COMPND    HMDB0240507
HETATM    1  O1  UNL     1       1.332   3.769   2.496  1.00  0.00           O  
HETATM    2  S1  UNL     1       0.062   4.071   1.746  1.00  0.00           S  
HETATM    3  O2  UNL     1      -1.056   4.102   2.758  1.00  0.00           O  
HETATM    4  O3  UNL     1       0.201   5.555   0.975  1.00  0.00           O  
HETATM    5  O4  UNL     1      -0.279   2.837   0.660  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.386   1.679   0.959  1.00  0.00           C  
HETATM    7  C2  UNL     1       1.393   1.305  -0.082  1.00  0.00           C  
HETATM    8  C3  UNL     1       1.775  -0.116  -0.105  1.00  0.00           C  
HETATM    9  C4  UNL     1       2.717  -0.603  -1.003  1.00  0.00           C  
HETATM   10  O5  UNL     1       3.273   0.332  -1.875  1.00  0.00           O  
HETATM   11  C5  UNL     1       3.069  -1.933  -1.017  1.00  0.00           C  
HETATM   12  C6  UNL     1       2.508  -2.835  -0.148  1.00  0.00           C  
HETATM   13  O6  UNL     1       2.863  -4.186  -0.160  1.00  0.00           O  
HETATM   14  C7  UNL     1       1.575  -2.380   0.748  1.00  0.00           C  
HETATM   15  C8  UNL     1       1.225  -1.021   0.752  1.00  0.00           C  
HETATM   16  O7  UNL     1       0.283  -0.617   1.673  1.00  0.00           O  
HETATM   17  C9  UNL     1      -0.510   0.538   1.346  1.00  0.00           C  
HETATM   18  C10 UNL     1      -1.459   0.100   0.323  1.00  0.00           C  
HETATM   19  C11 UNL     1      -1.788   0.774  -0.818  1.00  0.00           C  
HETATM   20  C12 UNL     1      -2.708   0.260  -1.728  1.00  0.00           C  
HETATM   21  C13 UNL     1      -3.316  -0.959  -1.495  1.00  0.00           C  
HETATM   22  O8  UNL     1      -4.243  -1.493  -2.396  1.00  0.00           O  
HETATM   23  C14 UNL     1      -2.997  -1.648  -0.355  1.00  0.00           C  
HETATM   24  O9  UNL     1      -3.634  -2.878  -0.154  1.00  0.00           O  
HETATM   25  C15 UNL     1      -2.095  -1.124   0.519  1.00  0.00           C  
HETATM   26  H1  UNL     1       1.068   5.547   0.464  1.00  0.00           H  
HETATM   27  H2  UNL     1       0.994   1.904   1.891  1.00  0.00           H  
HETATM   28  H3  UNL     1       1.030   1.566  -1.117  1.00  0.00           H  
HETATM   29  H4  UNL     1       2.362   1.871   0.067  1.00  0.00           H  
HETATM   30  H5  UNL     1       3.962  -0.020  -2.533  1.00  0.00           H  
HETATM   31  H6  UNL     1       3.816  -2.297  -1.735  1.00  0.00           H  
HETATM   32  H7  UNL     1       2.432  -4.817   0.490  1.00  0.00           H  
HETATM   33  H8  UNL     1       1.119  -3.054   1.438  1.00  0.00           H  
HETATM   34  H9  UNL     1      -1.083   0.773   2.266  1.00  0.00           H  
HETATM   35  H10 UNL     1      -1.350   1.720  -1.049  1.00  0.00           H  
HETATM   36  H11 UNL     1      -2.983   0.776  -2.637  1.00  0.00           H  
HETATM   37  H12 UNL     1      -4.672  -2.381  -2.204  1.00  0.00           H  
HETATM   38  H13 UNL     1      -3.406  -3.410   0.697  1.00  0.00           H  
HETATM   39  H14 UNL     1      -1.869  -1.706   1.416  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    4   26
CONECT    5    6
CONECT    6    7   17   27
CONECT    7    8   28   29
CONECT    8    9    9   15
CONECT    9   10   11
CONECT   10   30
CONECT   11   12   12   31
CONECT   12   13   14
CONECT   13   32
CONECT   14   15   15   33
CONECT   15   16
CONECT   16   17
CONECT   17   18   34
CONECT   18   19   19   25
CONECT   19   20   35
CONECT   20   21   21   36
CONECT   21   22   23
CONECT   22   37
CONECT   23   24   25   25
CONECT   24   38
CONECT   25   39
END