COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -0.049   2.395   0.065  1.00  0.00          Br  
HETATM    2  C   UNL     1       1.452   1.245   0.038  1.00  0.00           C  
HETATM    3  N   UNL     1       2.678   1.608   0.283  1.00  0.00           N  
HETATM    4  C   UNL     1       3.494   0.531   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1       4.886   0.331   0.328  1.00  0.00           C  
HETATM    6  O   UNL     1       5.622   1.259   0.621  1.00  0.00           O  
HETATM    7  N   UNL     1       5.380  -0.913   0.142  1.00  0.00           N  
HETATM    8  C   UNL     1       4.549  -1.942  -0.185  1.00  0.00           C  
HETATM    9  N   UNL     1       5.079  -3.194  -0.369  1.00  0.00           N  
HETATM   10  N   UNL     1       3.254  -1.769  -0.329  1.00  0.00           N  
HETATM   11  C   UNL     1       2.693  -0.566  -0.161  1.00  0.00           C  
HETATM   12  N   UNL     1       1.411  -0.092  -0.236  1.00  0.00           N  
HETATM   13  C   UNL     1       0.215  -0.875  -0.554  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.615  -1.116   0.732  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.815  -2.514   0.949  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.625  -0.140  -1.478  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.964  -0.485  -1.130  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.055   0.436  -1.639  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.316  -0.147  -1.231  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.948  -0.420   0.426  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.108  -1.133   0.868  1.00  0.00           O  
HETATM   22  P   UNL     1      -4.544  -0.608   0.309  1.00  0.00           P  
HETATM   23  O   UNL     1      -5.002   0.553   1.104  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.631  -1.793   0.386  1.00  0.00           O  
HETATM   25  H   UNL     1       6.332  -1.074   0.241  1.00  0.00           H  
HETATM   26  H   UNL     1       6.033  -3.337  -0.265  1.00  0.00           H  
HETATM   27  H   UNL     1       4.500  -3.937  -0.602  1.00  0.00           H  
HETATM   28  H   UNL     1       0.503  -1.830  -0.994  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.129  -0.659   1.594  1.00  0.00           H  
HETATM   30  H   UNL     1       0.004  -3.013   1.076  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.171  -1.507  -1.447  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.943   1.426  -1.198  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.009   0.505  -2.726  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.947   0.610   0.782  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.509  -1.544   0.067  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   12    3    3    1                                       
CONECT    3    4    2    2                                            
CONECT    4    5   11   11    3                                       
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   25                                            
CONECT    8    9    7   10   10                                       
CONECT    9    8   26   27                                            
CONECT   10    8    8   11                                            
CONECT   11   10    4    4   12                                       
CONECT   12   11   13    2                                            
CONECT   13   14   16   12   28                                       
CONECT   14   20   15   13   29                                       
CONECT   15   14   30                                                 
CONECT   16   17   13                                                 
CONECT   17   20   18   16   31                                       
CONECT   18   19   17   32   33                                       
CONECT   19   22   18                                                 
CONECT   20   21   14   17   34                                       
CONECT   21   22   20                                                 
CONECT   22   23   23   24   21                                       
CONECT   22   19                                                      
CONECT   23   22   22                                                 
CONECT   24   22   35                                                 
CONECT   25    7                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   24                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
