COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.124   4.721   0.075  1.00  0.00           C  
HETATM    2  C   UNL     1       4.816   3.382   0.062  1.00  0.00           C  
HETATM    3  C   UNL     1       3.768   2.267   0.038  1.00  0.00           C  
HETATM    4  C   UNL     1       4.471   0.908   0.024  1.00  0.00           C  
HETATM    5 BR   UNL     1      -4.547   3.168   0.032  1.00  0.00          Br  
HETATM    6  C   UNL     1      -3.241   1.800   0.018  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.378   0.707   0.855  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.429  -0.296   0.843  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.154   1.892  -0.832  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.199   0.894  -0.845  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.337  -0.207  -0.010  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.373  -1.222  -0.024  1.00  0.00           N  
HETATM   13  N   UNL     1       1.016  -1.040  -0.016  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.620  -2.566  -0.041  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.952  -3.210  -0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.054  -2.533  -0.575  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.293  -3.139  -0.580  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.446  -4.414  -0.065  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.358  -5.090   0.457  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.111  -4.498   0.463  1.00  0.00           C  
HETATM   21  C   UNL     1       0.585  -3.206  -0.050  1.00  0.00           C  
HETATM   22  C   UNL     1       1.592  -2.226  -0.028  1.00  0.00           C  
HETATM   23  C   UNL     1       3.053  -2.481  -0.025  1.00  0.00           C  
HETATM   24  C   UNL     1       3.534  -3.789  -0.040  1.00  0.00           C  
HETATM   25  C   UNL     1       4.895  -4.022  -0.038  1.00  0.00           C  
HETATM   26  C   UNL     1       5.783  -2.961  -0.021  1.00  0.00           C  
HETATM   27  C   UNL     1       5.316  -1.660  -0.006  1.00  0.00           C  
HETATM   28  C   UNL     1       3.953  -1.412  -0.013  1.00  0.00           C  
HETATM   29  O   UNL     1       3.493  -0.134   0.001  1.00  0.00           O  
HETATM   30  O   UNL     1       2.917   4.777   0.066  1.00  0.00           O  
HETATM   31  O   UNL     1       4.848   5.850   0.103  1.00  0.00           O  
HETATM   32  H   UNL     1       5.446   3.308  -0.824  1.00  0.00           H  
HETATM   33  H   UNL     1       5.432   3.282   0.955  1.00  0.00           H  
HETATM   34  H   UNL     1       3.138   2.341   0.924  1.00  0.00           H  
HETATM   35  H   UNL     1       3.152   2.366  -0.856  1.00  0.00           H  
HETATM   36  H   UNL     1       5.101   0.833  -0.862  1.00  0.00           H  
HETATM   37  H   UNL     1       5.087   0.808   0.917  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.228   0.638   1.518  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.536  -1.150   1.497  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.052   2.745  -1.487  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.351   0.966  -1.509  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.936  -1.538  -0.977  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.147  -2.617  -0.987  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.418  -4.884  -0.071  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.483  -6.085   0.858  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.262  -5.028   0.867  1.00  0.00           H  
HETATM   47  H   UNL     1       0.738  -4.275  -0.063  1.00  0.00           H  
HETATM   48  H   UNL     1       2.844  -4.619  -0.053  1.00  0.00           H  
HETATM   49  H   UNL     1       5.267  -5.035  -0.049  1.00  0.00           H  
HETATM   50  H   UNL     1       6.846  -3.150  -0.014  1.00  0.00           H  
HETATM   51  H   UNL     1       6.015  -0.836   0.007  1.00  0.00           H  
HETATM   52  H   UNL     1       4.360   6.685   0.115  1.00  0.00           H  
CONECT    1    2   30   30   31                                       
CONECT    2    3    1   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4   29    3   36   37                                       
CONECT    5    6                                                      
CONECT    6    7    7    9    5                                       
CONECT    7    8    6    6   38                                       
CONECT    8   11   11    7   39                                       
CONECT    9   10   10    6   40                                       
CONECT   10   11    9    9   41                                       
CONECT   11   12    8    8   10                                       
CONECT   12   13   14   11                                            
CONECT   13   22   22   12                                            
CONECT   14   21   21   12   15                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   42                                       
CONECT   17   16   16   18   43                                       
CONECT   18   19   19   17   44                                       
CONECT   19   20   18   18   45                                       
CONECT   20   15   15   19   46                                       
CONECT   21   22   14   14   47                                       
CONECT   22   23   13   13   21                                       
CONECT   23   28   28   24   22                                       
CONECT   24   25   25   23   48                                       
CONECT   25   26   24   24   49                                       
CONECT   26   27   27   25   50                                       
CONECT   27   26   26   28   51                                       
CONECT   28   27   29   23   23                                       
CONECT   29   28    4                                                 
CONECT   30    1    1                                                 
CONECT   31    1   52                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
