COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.266  -2.000   0.663  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.353  -2.948  -0.084  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.734   1.431   2.045  1.00  0.00           O  
HETATM    4 BR   UNL     1       4.339  -1.965  -0.027  1.00  0.00          Br  
HETATM    5  C   UNL     1       0.595  -2.132   1.737  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.672  -3.541  -1.728  1.00  0.00           N  
HETATM    7 BR   UNL     1       3.116   3.237  -0.846  1.00  0.00          Br  
HETATM    8  C   UNL     1       1.962  -2.122   1.532  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.679  -1.219  -0.940  1.00  0.00           N  
HETATM   10  C   UNL     1       2.469  -1.980   0.253  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.170  -4.305  -0.351  1.00  0.00           N  
HETATM   12  C   UNL     1       1.607  -1.848  -0.821  1.00  0.00           C  
HETATM   13  C   UNL     1       0.241  -1.858  -0.616  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.726   0.458   1.764  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.955  -4.641  -1.323  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.257  -0.592   0.833  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.756  -2.018   0.885  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.293  -2.475  -0.954  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.200  -0.285  -0.083  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.410   1.609  -1.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.854   2.917  -1.178  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.591   3.729  -0.088  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.884   3.242   0.996  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.434   1.934   0.994  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.699   1.113  -0.110  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.731   1.999   0.061  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.542   1.137   1.126  1.00  0.00           C  
HETATM   28  C   UNL     1       0.733   0.899   1.605  1.00  0.00           C  
HETATM   29  C   UNL     1       1.819   1.522   1.019  1.00  0.00           C  
HETATM   30  C   UNL     1       1.630   2.384  -0.046  1.00  0.00           C  
HETATM   31  C   UNL     1       0.355   2.622  -0.525  1.00  0.00           C  
HETATM   32  H   UNL     1       0.199  -2.243   2.735  1.00  0.00           H  
HETATM   33  H   UNL     1       2.634  -2.225   2.372  1.00  0.00           H  
HETATM   34  H   UNL     1       2.003  -1.737  -1.820  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.432  -1.755  -1.455  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.410  -0.012   2.695  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.037  -5.631  -1.747  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.615   0.976  -2.045  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.408   3.308  -2.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.941   4.751  -0.084  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.683   3.882   1.842  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.727   2.182  -0.315  1.00  0.00           H  
HETATM   43  H   UNL     1       0.880   0.226   2.436  1.00  0.00           H  
HETATM   44  H   UNL     1       2.815   1.336   1.394  1.00  0.00           H  
HETATM   45  H   UNL     1       0.207   3.295  -1.356  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.330  -3.522  -2.440  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.943  -2.404   1.887  1.00  0.00           H  
CONECT    1    5    5   13   17                                       
CONECT    2   11   17   18                                            
CONECT    3   14   24                                                 
CONECT    4   10                                                      
CONECT    5    1    1    8   32                                       
CONECT    6   15   18   46                                            
CONECT    7   30                                                      
CONECT    8    5   10   10   33                                       
CONECT    9   18   18   19                                            
CONECT   10    4    8    8   12                                       
CONECT   11    2   15   15                                            
CONECT   12   10   13   13   34                                       
CONECT   13    1   12   12   35                                       
CONECT   14    3   16   27   36                                       
CONECT   15    6   11   11   37                                       
CONECT   16   14   17   19   19                                       
CONECT   17    1    2   16   47                                       
CONECT   18    2    6    9    9                                       
CONECT   19    9   16   16   25                                       
CONECT   20   21   21   25   38                                       
CONECT   21   20   20   22   39                                       
CONECT   22   21   23   23   40                                       
CONECT   23   22   22   24   41                                       
CONECT   24    3   23   25   25                                       
CONECT   25   19   20   24   24                                       
CONECT   26   27   27   31   42                                       
CONECT   27   14   26   26   28                                       
CONECT   28   27   29   29   43                                       
CONECT   29   28   28   30   44                                       
CONECT   30    7   29   31   31                                       
CONECT   31   26   30   30   45                                       
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   31                                                      
CONECT   46    6                                                      
CONECT   47   17                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
