COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.821  -0.054  -0.270  1.00  0.00           C  
HETATM    2  C   UNL     1       4.465   1.904  -0.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.578   0.507   0.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.304   0.731  -1.418  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.050   2.028  -1.738  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.155   0.546  -2.411  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.443  -1.649   0.417  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.920  -2.157   0.890  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.927  -1.203   0.853  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.248   0.136   0.609  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.182   1.156   0.570  1.00  0.00           C  
HETATM   12  C   UNL     1       2.160   1.809   0.729  1.00  0.00           C  
HETATM   13  C   UNL     1       2.286   2.469   2.103  1.00  0.00           C  
HETATM   14  C   UNL     1       3.468   1.154   0.365  1.00  0.00           C  
HETATM   15  C   UNL     1       4.783  -0.738   0.337  1.00  0.00           C  
HETATM   16  C   UNL     1       5.664   1.293  -0.561  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.572  -0.453   0.441  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.744   0.802   0.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.898   0.895   1.003  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.268  -0.452  -1.528  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.244  -1.791   0.685  1.00  0.00           C  
HETATM   22  N   UNL     1       1.102   0.796   0.768  1.00  0.00           N  
HETATM   23  N   UNL     1       3.654  -0.124   0.632  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.955  -0.402   0.279  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.434  -2.506   0.663  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.461   2.320   0.357  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.617  -1.955   0.334  1.00  0.00           O  
HETATM   28 BR   UNL     1       7.436  -0.943  -0.689  1.00  0.00          Br  
HETATM   29  H   UNL     1       4.306   2.950  -0.446  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.830   1.541   0.220  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.364   2.871  -1.660  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.450   1.977  -2.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.869   2.159  -1.031  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.623  -0.377  -2.183  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.554   0.496  -3.424  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.468   1.389  -2.333  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.668  -3.190   1.078  1.00  0.00           H  
HETATM   38  H   UNL     1       0.102  -1.490   1.011  1.00  0.00           H  
HETATM   39  H   UNL     1       1.913   2.565  -0.016  1.00  0.00           H  
HETATM   40  H   UNL     1       1.340   2.942   2.367  1.00  0.00           H  
HETATM   41  H   UNL     1       2.533   1.713   2.849  1.00  0.00           H  
HETATM   42  H   UNL     1       3.073   3.222   2.074  1.00  0.00           H  
HETATM   43  H   UNL     1       4.898  -1.786   0.571  1.00  0.00           H  
HETATM   44  H   UNL     1       6.458   1.852  -1.034  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.108   1.682   0.100  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.499   0.946   2.016  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.485   1.791   0.798  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.534   0.015   0.906  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.963  -0.433  -0.689  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.824  -0.383  -2.463  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.702  -1.384  -1.510  1.00  0.00           H  
HETATM   52  H   UNL     1       1.325  -0.132   0.937  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.524  -3.462   0.801  1.00  0.00           H  
CONECT    1   16   16   15   28                                       
CONECT    2   14   14   16   29                                       
CONECT    3   17   17   10   30                                       
CONECT    4    5    6   20   18                                       
CONECT    5    4   31   32   33                                       
CONECT    6    4   34   35   36                                       
CONECT    7   24   27   27   25                                       
CONECT    8   21   21    9   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10    3   11    9    9                                       
CONECT   11   26   26   22   10                                       
CONECT   12   13   22   14   39                                       
CONECT   13   12   40   41   42                                       
CONECT   14   12    2    2   23                                       
CONECT   15   23   23    1   43                                       
CONECT   16    2    1    1   44                                       
CONECT   17   24    3    3   21                                       
CONECT   18    4   19   24   45                                       
CONECT   19   18   46   47   48                                       
CONECT   20    4   49   50   51                                       
CONECT   21   17   25    8    8                                       
CONECT   22   12   11   52                                            
CONECT   23   14   15   15                                            
CONECT   24   18    7   17                                            
CONECT   25    7   21   53                                            
CONECT   26   11   11                                                 
CONECT   27    7    7                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
