COMPND    HMDB0013991
HETATM    1  C1  UNL     1      -1.189  -1.907   0.989  1.00  0.00           C  
HETATM    2  N1  UNL     1      -1.605  -0.559   0.682  1.00  0.00           N  
HETATM    3  C2  UNL     1      -0.970   0.281  -0.229  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.430   0.092  -0.554  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.903   0.911  -1.452  1.00  0.00           O  
HETATM    6  N2  UNL     1       1.358  -0.818  -0.063  1.00  0.00           N  
HETATM    7  C4  UNL     1       2.702  -0.774  -0.575  1.00  0.00           C  
HETATM    8  C5  UNL     1       3.648  -1.650  -0.118  1.00  0.00           C  
HETATM    9  C6  UNL     1       4.946  -1.583  -0.636  1.00  0.00           C  
HETATM   10  C7  UNL     1       5.263  -0.650  -1.588  1.00  0.00           C  
HETATM   11  O2  UNL     1       6.547  -0.577  -2.106  1.00  0.00           O  
HETATM   12  C8  UNL     1       4.270   0.212  -2.016  1.00  0.00           C  
HETATM   13  N3  UNL     1       3.015   0.129  -1.499  1.00  0.00           N  
HETATM   14  C9  UNL     1      -1.641   1.277  -0.804  1.00  0.00           C  
HETATM   15  O3  UNL     1      -0.953   2.080  -1.737  1.00  0.00           O  
HETATM   16  C10 UNL     1      -2.998   1.624  -0.539  1.00  0.00           C  
HETATM   17  S1  UNL     1      -4.064   2.745  -1.333  1.00  0.00           S  
HETATM   18  C11 UNL     1      -5.511   2.391  -0.500  1.00  0.00           C  
HETATM   19 CL1  UNL     1      -7.108   3.111  -0.716  1.00  0.00          CL  
HETATM   20  C12 UNL     1      -5.105   1.406   0.375  1.00  0.00           C  
HETATM   21  C13 UNL     1      -3.839   1.033   0.346  1.00  0.00           C  
HETATM   22  S2  UNL     1      -3.058  -0.091   1.491  1.00  0.00           S  
HETATM   23  O4  UNL     1      -3.945  -1.232   1.814  1.00  0.00           O  
HETATM   24  O5  UNL     1      -2.783   0.677   2.751  1.00  0.00           O  
HETATM   25  H1  UNL     1      -0.740  -2.371   0.102  1.00  0.00           H  
HETATM   26  H2  UNL     1      -2.133  -2.557   1.153  1.00  0.00           H  
HETATM   27  H3  UNL     1      -0.567  -1.984   1.874  1.00  0.00           H  
HETATM   28  H4  UNL     1       1.215  -1.548   0.646  1.00  0.00           H  
HETATM   29  H5  UNL     1       3.436  -2.397   0.629  1.00  0.00           H  
HETATM   30  H6  UNL     1       5.689  -2.270  -0.278  1.00  0.00           H  
HETATM   31  H7  UNL     1       6.768   0.110  -2.803  1.00  0.00           H  
HETATM   32  H8  UNL     1       4.462   0.964  -2.762  1.00  0.00           H  
HETATM   33  H9  UNL     1      -0.532   2.924  -1.325  1.00  0.00           H  
HETATM   34  H10 UNL     1      -5.910   0.999   1.051  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3   22
CONECT    3    4   14   14
CONECT    4    5    5    6
CONECT    6    7   28
CONECT    7    8    8   13
CONECT    8    9   29
CONECT    9   10   10   30
CONECT   10   11   12
CONECT   11   31
CONECT   12   13   13   32
CONECT   14   15   16
CONECT   15   33
CONECT   16   17   21   21
CONECT   17   18
CONECT   18   19   20   20
CONECT   20   21   34
CONECT   21   22
CONECT   22   23   23   24   24
END