COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      40.520  38.972 -11.172  1.00  0.00           O  
HETATM    2  C   UNL     1      39.376  38.909 -11.425  1.00  0.00           C  
HETATM    3  N   UNL     1      38.873  39.399 -12.516  1.00  0.00           N  
HETATM    4  CA  UNL     1      39.548  39.879 -13.724  1.00  0.00           C  
HETATM    5  C   UNL     1      39.606  41.376 -13.723  1.00  0.00           C  
HETATM    6  O   UNL     1      38.182  41.570 -13.940  1.00  0.00           O  
HETATM    7  C   UNL     1      39.554  38.915 -14.800  1.00  0.00           C  
HETATM    8  O   UNL     1      38.168  38.968 -15.097  1.00  0.00           O  
HETATM    9  C   UNL     1      40.365  37.792 -14.976  1.00  0.00           C  
HETATM   10  C   UNL     1      39.639  36.648 -15.115  1.00  0.00           C  
HETATM   11  C   UNL     1      40.351  35.367 -15.154  1.00  0.00           C  
HETATM   12  C   UNL     1      41.730  35.363 -15.041  1.00  0.00           C  
HETATM   13  N   UNL     1      42.475  34.086 -15.084  1.00  0.00           N1+
HETATM   14  O   UNL     1      43.688  34.085 -14.988  1.00  0.00           O1-
HETATM   15  O   UNL     1      41.872  33.034 -15.219  1.00  0.00           O  
HETATM   16  C   UNL     1      42.415  36.552 -14.894  1.00  0.00           C  
HETATM   17  C   UNL     1      41.696  37.826 -14.834  1.00  0.00           C  
HETATM   18  C   UNL     1      38.694  38.135 -10.470  1.00  0.00           C  
HETATM   19 BR   UNL     1      38.422  36.198 -10.656  1.00  0.00          Br  
HETATM   20 BR   UNL     1      38.924  38.615  -8.572  1.00  0.00          Br  
HETATM   21  H   UNL     1      37.875  39.458 -12.535  1.00  0.00           H  
HETATM   22  H   UNL     1      37.743  38.529 -10.858  1.00  0.00           H  
HETATM   23  HA  UNL     1      40.628  39.868 -13.932  1.00  0.00           H  
HETATM   24  H1  UNL     1      39.988  41.816 -12.790  1.00  0.00           H  
HETATM   25  H2  UNL     1      40.293  41.853 -14.438  1.00  0.00           H  
HETATM   26  H   UNL     1      40.312  39.104 -15.575  1.00  0.00           H  
HETATM   27  H   UNL     1      37.736  41.612 -13.102  1.00  0.00           H  
HETATM   28  H   UNL     1      37.671  38.980 -14.288  1.00  0.00           H  
HETATM   29  H   UNL     1      38.562  36.684 -15.195  1.00  0.00           H  
HETATM   30  H   UNL     1      42.220  38.758 -14.681  1.00  0.00           H  
HETATM   31  H   UNL     1      39.807  34.441 -15.269  1.00  0.00           H  
HETATM   32  H   UNL     1      43.493  36.543 -14.823  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    2    4   21                                            
CONECT    4    3    5    7   23                                       
CONECT    5    4    6   24   25                                       
CONECT    6    5   27                                                 
CONECT    7    4    8    9   26                                       
CONECT    8    7   28                                                 
CONECT    9    7   10   17   17                                       
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13                                                 
CONECT   16   12   12   17   32                                       
CONECT   17    9    9   16   30                                       
CONECT   18    2   19   20   22                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    3                                                      
CONECT   22   18                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   17                                                      
CONECT   31   11                                                      
CONECT   32   16                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
