COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.854   1.212   0.092  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.376  -1.696  -0.681  1.00  0.00           C  
HETATM    3  C   UNL     1       0.829  -2.290   0.122  1.00  0.00           C  
HETATM    4  C   UNL     1       0.292  -3.300   1.138  1.00  0.00           C  
HETATM    5  C   UNL     1       1.057  -2.989  -1.220  1.00  0.00           C  
HETATM    6  C   UNL     1       2.785  -0.942  -0.146  1.00  0.00           C  
HETATM    7  C   UNL     1       2.362  -0.701  -1.572  1.00  0.00           C  
HETATM    8  C   UNL     1       3.985  -0.272   0.391  1.00  0.00           C  
HETATM    9  C   UNL     1       4.380  -0.494   1.712  1.00  0.00           C  
HETATM   10  C   UNL     1       5.502   0.134   2.211  1.00  0.00           C  
HETATM   11  C   UNL     1       6.239   0.985   1.407  1.00  0.00           C  
HETATM   12  C   UNL     1       7.727   2.664  -0.099  1.00  0.00           C  
HETATM   13  C   UNL     1       4.730   0.587  -0.419  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.349  -0.557  -0.841  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.382  -0.398   0.061  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.276   0.648  -0.085  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.136   1.537  -1.136  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.104   1.382  -2.041  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.204   0.338  -1.892  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.144  -1.204  -0.050  1.00  0.00           N  
HETATM   21  N   UNL     1       2.097  -1.738   0.606  1.00  0.00           N  
HETATM   22  O   UNL     1       6.579   2.053  -0.692  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.187   0.183  -2.781  1.00  0.00           O  
HETATM   24 BR   UNL     1      -5.690   0.863   1.152  1.00  0.00          Br  
HETATM   25  H   UNL     1      -1.822  -2.469  -0.054  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.141  -2.114  -1.660  1.00  0.00           H  
HETATM   27  H   UNL     1       0.033  -2.783   2.062  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.595  -3.787   0.733  1.00  0.00           H  
HETATM   29  H   UNL     1       1.056  -4.050   1.344  1.00  0.00           H  
HETATM   30  H   UNL     1       1.988  -3.554  -1.182  1.00  0.00           H  
HETATM   31  H   UNL     1       0.228  -3.667  -1.421  1.00  0.00           H  
HETATM   32  H   UNL     1       1.117  -2.243  -2.012  1.00  0.00           H  
HETATM   33  H   UNL     1       2.761  -1.490  -2.209  1.00  0.00           H  
HETATM   34  H   UNL     1       1.273  -0.700  -1.633  1.00  0.00           H  
HETATM   35  H   UNL     1       2.745   0.264  -1.906  1.00  0.00           H  
HETATM   36  H   UNL     1       3.806  -1.157   2.343  1.00  0.00           H  
HETATM   37  H   UNL     1       5.807  -0.038   3.233  1.00  0.00           H  
HETATM   38  H   UNL     1       7.116   1.474   1.803  1.00  0.00           H  
HETATM   39  H   UNL     1       7.420   3.257   0.761  1.00  0.00           H  
HETATM   40  H   UNL     1       8.425   1.890   0.223  1.00  0.00           H  
HETATM   41  H   UNL     1       8.214   3.309  -0.831  1.00  0.00           H  
HETATM   42  H   UNL     1       4.430   0.763  -1.441  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.493  -1.091   0.882  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.835   2.353  -1.249  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.996   2.076  -2.861  1.00  0.00           H  
HETATM   46  H   UNL     1       0.253  -0.442  -0.580  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.378   0.654  -2.540  1.00  0.00           H  
CONECT    1   22   13   13   11                                       
CONECT    2   14   20   25   26                                       
CONECT    3   20   21    5    4                                       
CONECT    4    3   27   28   29                                       
CONECT    5    3   30   31   32                                       
CONECT    6   21   21    8    7                                       
CONECT    7    6   33   34   35                                       
CONECT    8   13    6    9    9                                       
CONECT    9    8    8   10   36                                       
CONECT   10   11   11    9   37                                       
CONECT   11    1   10   10   38                                       
CONECT   12   22   39   40   41                                       
CONECT   13    1    1    8   42                                       
CONECT   14   15   15   19    2                                       
CONECT   15   16   14   14   43                                       
CONECT   16   24   17   17   15                                       
CONECT   17   16   16   18   44                                       
CONECT   18   17   19   19   45                                       
CONECT   19   18   18   14   23                                       
CONECT   20    2    3   46                                            
CONECT   21    3    6    6                                            
CONECT   22    1   12                                                 
CONECT   23   19   47                                                 
CONECT   24   16                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
