COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.640   2.408  -0.145  1.00  0.00           N1+
HETATM    2 BR   UNL     1       4.690   2.244   0.324  1.00  0.00          Br  
HETATM    3  C   UNL     1      -1.424   1.481  -1.065  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.214   1.022  -1.324  1.00  0.00           N  
HETATM    5  C   UNL     1       0.853   1.490  -0.697  1.00  0.00           C  
HETATM    6  C   UNL     1       0.693   2.605   0.147  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.614   3.056   0.411  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.831   4.151   1.230  1.00  0.00           N  
HETATM    9  N   UNL     1       1.941   2.987   0.507  1.00  0.00           N  
HETATM   10  C   UNL     1       2.818   2.115   0.089  1.00  0.00           C  
HETATM   11  N   UNL     1       2.170   1.097  -0.543  1.00  0.00           N  
HETATM   12  P   UNL     1      -0.427  -3.720   0.421  1.00  0.00           P  
HETATM   13  P   UNL     1      -3.073  -2.531  -0.201  1.00  0.00           P  
HETATM   14  C   UNL     1       2.693  -0.213  -0.922  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.117  -3.578  -1.019  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.431  -2.044  -1.594  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.992   2.566   0.391  1.00  0.00           C  
HETATM   18  C   UNL     1       4.070  -0.451  -0.286  1.00  0.00           C  
HETATM   19  O   UNL     1       5.102  -0.313  -1.265  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.263  -5.261   0.858  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.161  -3.497  -0.470  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.009   2.790  -0.737  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.309   4.180  -0.880  1.00  0.00           O  
HETATM   24  C   UNL     1       4.012  -1.901   0.234  1.00  0.00           C  
HETATM   25  O   UNL     1       4.927  -2.725  -0.491  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.935  -3.240   0.696  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.248   2.010  -0.239  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.142   2.880   0.459  1.00  0.00           O  
HETATM   29  C   UNL     1       2.566  -2.363  -0.015  1.00  0.00           C  
HETATM   30  O   UNL     1       1.806  -1.218  -0.410  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.660   0.958   0.718  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.345   1.356   1.063  1.00  0.00           O  
HETATM   33  C   UNL     1       1.999  -2.979   1.262  1.00  0.00           C  
HETATM   34  O   UNL     1       0.583  -2.805   1.282  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.663  -0.407   0.029  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.671  -1.260   0.590  1.00  0.00           O  
HETATM   37  H   UNL     1      -2.263   1.088  -1.619  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.736   4.454   1.405  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.079   4.615   1.629  1.00  0.00           H  
HETATM   40  H   UNL     1       2.764  -0.278  -2.006  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.025   3.398   1.092  1.00  0.00           H  
HETATM   42  H   UNL     1       4.233   0.244   0.538  1.00  0.00           H  
HETATM   43  H   UNL     1       5.994  -0.453  -0.918  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.642   2.376  -1.676  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.947   4.375  -1.580  1.00  0.00           H  
HETATM   46  H   UNL     1       4.239  -1.931   1.300  1.00  0.00           H  
HETATM   47  H   UNL     1       5.852  -2.455  -0.405  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.758   1.528  -1.073  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.492   3.600  -0.083  1.00  0.00           H  
HETATM   50  H   UNL     1       2.529  -3.100  -0.819  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.282   0.906   1.617  1.00  0.00           H  
HETATM   52  H   UNL     1       2.235  -4.043   1.289  1.00  0.00           H  
HETATM   53  H   UNL     1       2.438  -2.487   2.130  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.643  -0.868   0.151  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.461  -0.272  -1.034  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.844  -5.869   0.381  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.053  -2.759  -2.125  1.00  0.00           H  
CONECT    1    3    3    7   17                                       
CONECT    2   10                                                      
CONECT    3    1    1    4   37                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7   38   39                                            
CONECT    9    6   10   10                                            
CONECT   10    2    9    9   11                                       
CONECT   11    5   10   14                                            
CONECT   12   15   15   20   26                                       
CONECT   12   34                                                      
CONECT   13   16   21   21   26                                       
CONECT   13   36                                                      
CONECT   14   11   18   30   40                                       
CONECT   15   12   12                                                 
CONECT   16   13   57                                                 
CONECT   17    1   22   32   41                                       
CONECT   18   14   19   24   42                                       
CONECT   19   18   43                                                 
CONECT   20   12   56                                                 
CONECT   21   13   13                                                 
CONECT   22   17   23   27   44                                       
CONECT   23   22   45                                                 
CONECT   24   18   25   29   46                                       
CONECT   25   24   47                                                 
CONECT   26   12   13                                                 
CONECT   27   22   28   31   48                                       
CONECT   28   27   49                                                 
CONECT   29   24   30   33   50                                       
CONECT   30   14   29                                                 
CONECT   31   27   32   35   51                                       
CONECT   32   17   31                                                 
CONECT   33   29   34   52   53                                       
CONECT   34   12   33                                                 
CONECT   35   31   36   54   55                                       
CONECT   36   13   35                                                 
CONECT   37    3                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
CONECT   56   20                                                      
CONECT   57   16                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
