COMPND    HMDB0126639
HETATM    1  O1  UNL     1      -3.955   0.901   1.395  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.422  -0.004   0.699  1.00  0.00           C  
HETATM    3  O2  UNL     1      -4.180  -0.964   0.030  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.976  -0.077   0.570  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.377  -1.060  -0.187  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.006  -1.126  -0.308  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.620  -2.120  -1.073  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.776  -0.194   0.340  1.00  0.00           C  
HETATM    9  O4  UNL     1       2.166  -0.237   0.235  1.00  0.00           O  
HETATM   10  S1  UNL     1       2.988   0.607  -1.012  1.00  0.00           S  
HETATM   11  O5  UNL     1       2.032   1.426  -1.829  1.00  0.00           O  
HETATM   12  O6  UNL     1       4.018   1.491  -0.351  1.00  0.00           O  
HETATM   13  O7  UNL     1       3.792  -0.463  -2.024  1.00  0.00           O  
HETATM   14  C6  UNL     1       0.172   0.800   1.104  1.00  0.00           C  
HETATM   15  O8  UNL     1       1.012   1.715   1.736  1.00  0.00           O  
HETATM   16  C7  UNL     1      -1.197   0.867   1.225  1.00  0.00           C  
HETATM   17  H1  UNL     1      -4.675  -1.661   0.589  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.972  -1.819  -0.716  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.600  -2.195  -1.180  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.590  -0.003  -2.359  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.629   2.464   2.308  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.635   1.651   1.827  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5    5   16
CONECT    5    6   18
CONECT    6    7    8    8
CONECT    7   19
CONECT    8    9   14
CONECT    9   10
CONECT   10   11   11   12   12
CONECT   10   13
CONECT   13   20
CONECT   14   15   16   16
CONECT   15   21
CONECT   16   22
END