COMPND    HMDB0124975
HETATM    1  O1  UNL     1       5.451   0.003  -0.384  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.425  -0.489   0.130  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.552  -1.362   1.161  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.117  -0.084  -0.423  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.994  -0.557   0.063  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.678  -0.206  -0.427  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.444   0.667  -1.464  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.846   0.976  -1.904  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.926   0.398  -1.293  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.734  -0.477  -0.255  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.843  -1.065   0.366  1.00  0.00           O  
HETATM   12  S1  UNL     1      -3.597  -0.322   1.706  1.00  0.00           S  
HETATM   13  O4  UNL     1      -3.899  -1.440   2.688  1.00  0.00           O  
HETATM   14  O5  UNL     1      -2.681   0.701   2.341  1.00  0.00           O  
HETATM   15  O6  UNL     1      -5.004   0.470   1.256  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.464  -0.772   0.166  1.00  0.00           C  
HETATM   17  H1  UNL     1       5.377  -1.691   1.590  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.058   0.615  -1.246  1.00  0.00           H  
HETATM   19  H3  UNL     1       2.070  -1.254   0.884  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.291   1.123  -1.948  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.931   1.672  -2.725  1.00  0.00           H  
HETATM   22  H6  UNL     1      -2.943   0.628  -1.623  1.00  0.00           H  
HETATM   23  H7  UNL     1      -5.311   0.246   0.360  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.277  -1.459   0.982  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5    5   18
CONECT    5    6   19
CONECT    6    7    7   16
CONECT    7    8   20
CONECT    8    9    9   21
CONECT    9   10   22
CONECT   10   11   16   16
CONECT   11   12
CONECT   12   13   13   14   14
CONECT   12   15
CONECT   15   23
CONECT   16   24
END