COMPND    HMDB0251600
HETATM    1  O1  UNL     1      -1.465   2.257  -1.628  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.294   1.212  -0.904  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.484   0.470  -0.528  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.739   0.919  -0.965  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.905   0.264  -0.645  1.00  0.00           C  
HETATM    6  C5  UNL     1      -4.831  -0.875   0.133  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.632  -1.339   0.574  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.470  -0.670   0.245  1.00  0.00           C  
HETATM    9  S1  UNL     1      -0.932  -1.272   0.815  1.00  0.00           S  
HETATM   10  O2  UNL     1      -0.653  -2.647   0.240  1.00  0.00           O  
HETATM   11  O3  UNL     1      -0.931  -1.340   2.332  1.00  0.00           O  
HETATM   12  C8  UNL     1       0.329  -0.216   0.234  1.00  0.00           C  
HETATM   13  C9  UNL     1       1.659  -0.492   0.561  1.00  0.00           C  
HETATM   14  C10 UNL     1       2.684   0.315   0.124  1.00  0.00           C  
HETATM   15  C11 UNL     1       4.065   0.033   0.461  1.00  0.00           C  
HETATM   16  N1  UNL     1       5.149   0.730   0.104  1.00  0.00           N  
HETATM   17  N2  UNL     1       6.212   0.107   0.638  1.00  0.00           N  
HETATM   18  N3  UNL     1       5.817  -0.957   1.316  1.00  0.00           N  
HETATM   19  N4  UNL     1       4.487  -0.993   1.200  1.00  0.00           N  
HETATM   20  C12 UNL     1       2.402   1.429  -0.659  1.00  0.00           C  
HETATM   21  C13 UNL     1       1.101   1.712  -0.989  1.00  0.00           C  
HETATM   22  C14 UNL     1       0.059   0.886  -0.540  1.00  0.00           C  
HETATM   23  H1  UNL     1      -3.783   1.820  -1.578  1.00  0.00           H  
HETATM   24  H2  UNL     1      -5.856   0.662  -1.015  1.00  0.00           H  
HETATM   25  H3  UNL     1      -5.735  -1.386   0.383  1.00  0.00           H  
HETATM   26  H4  UNL     1      -3.531  -2.231   1.188  1.00  0.00           H  
HETATM   27  H5  UNL     1       1.849  -1.380   1.182  1.00  0.00           H  
HETATM   28  H6  UNL     1       6.366  -1.664   1.852  1.00  0.00           H  
HETATM   29  H7  UNL     1       3.199   2.052  -0.996  1.00  0.00           H  
HETATM   30  H8  UNL     1       0.866   2.594  -1.609  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   22
CONECT    3    4    4    8
CONECT    4    5   23
CONECT    5    6    6   24
CONECT    6    7   25
CONECT    7    8    8   26
CONECT    8    9
CONECT    9   10   10   11   11
CONECT    9   12
CONECT   12   13   13   22
CONECT   13   14   27
CONECT   14   15   20   20
CONECT   15   16   19   19
CONECT   16   17   17
CONECT   17   18
CONECT   18   19   28
CONECT   20   21   29
CONECT   21   22   22   30
END