COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.562  -0.794  -0.754  1.00  0.00           C  
HETATM    2  C   UNL     1       0.759  -1.464  -1.155  1.00  0.00           C  
HETATM    3  C   UNL     1       0.647  -2.823   0.960  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.660  -1.111   0.430  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.465  -0.805  -0.833  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.675   0.173  -1.696  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.321  -0.448  -2.040  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.786  -0.189  -0.453  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.817   1.000   0.250  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.029   1.566   0.599  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.212   0.942   0.243  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.180  -0.248  -0.461  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.968  -0.810  -0.814  1.00  0.00           C  
HETATM   14  C   UNL     1       4.832   0.992  -2.241  1.00  0.00           C  
HETATM   15  C   UNL     1       4.796   1.229  -0.874  1.00  0.00           C  
HETATM   16  C   UNL     1       4.108   0.364  -0.038  1.00  0.00           C  
HETATM   17  C   UNL     1       3.453  -0.746  -0.576  1.00  0.00           C  
HETATM   18  C   UNL     1       3.496  -0.975  -1.953  1.00  0.00           C  
HETATM   19  C   UNL     1       4.184  -0.106  -2.775  1.00  0.00           C  
HETATM   20  C   UNL     1       2.717  -1.674   0.308  1.00  0.00           C  
HETATM   21  O   UNL     1       3.274  -2.168   1.269  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.361  -1.703   0.075  1.00  0.00           N  
HETATM   23  N   UNL     1       1.429  -1.973   0.049  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.650  -2.075   1.310  1.00  0.00           C  
HETATM   25 CL   UNL     1      -8.734   1.652   0.681  1.00  0.00          Cl  
HETATM   26  O   UNL     1       5.436   2.310  -0.354  1.00  0.00           O  
HETATM   27 BR   UNL     1       4.058   0.683   1.825  1.00  0.00          Br  
HETATM   28  C   UNL     1       6.126   3.159  -1.273  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.353   0.120  -0.197  1.00  0.00           H  
HETATM   30  H   UNL     1       0.556  -2.291  -1.836  1.00  0.00           H  
HETATM   31  H   UNL     1       1.402  -0.736  -1.650  1.00  0.00           H  
HETATM   32  H   UNL     1       0.407  -3.768   0.471  1.00  0.00           H  
HETATM   33  H   UNL     1       1.220  -3.012   1.868  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.493  -0.187   0.984  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.218  -1.810   1.053  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.637  -1.727  -1.388  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.227   0.380  -2.612  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.516   1.101  -1.146  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.736   0.261  -2.626  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.476  -1.356  -2.623  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.894   1.487   0.528  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.053   2.495   1.149  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.103  -0.736  -0.739  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.943  -1.737  -1.368  1.00  0.00           H  
HETATM   45  H   UNL     1       5.366   1.671  -2.890  1.00  0.00           H  
HETATM   46  H   UNL     1       2.991  -1.831  -2.374  1.00  0.00           H  
HETATM   47  H   UNL     1       4.216  -0.285  -3.840  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.288  -2.720   1.914  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.408  -1.176   1.875  1.00  0.00           H  
HETATM   50  H   UNL     1       6.894   2.585  -1.792  1.00  0.00           H  
HETATM   51  H   UNL     1       5.418   3.559  -2.000  1.00  0.00           H  
HETATM   52  H   UNL     1       6.591   3.981  -0.730  1.00  0.00           H  
CONECT    1   22    2    7   29                                       
CONECT    2   23    1   30   31                                       
CONECT    3   24   23   32   33                                       
CONECT    4   22    5   34   35                                       
CONECT    5    4    8    6   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    1    6   39   40                                       
CONECT    8    9    5   13   13                                       
CONECT    9   10   10    8   41                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   25   12   12                                       
CONECT   12   11   11   13   43                                       
CONECT   13    8    8   12   44                                       
CONECT   14   19   19   15   45                                       
CONECT   15   14   26   16   16                                       
CONECT   16   15   15   17   27                                       
CONECT   17   18   18   16   20                                       
CONECT   18   19   17   17   46                                       
CONECT   19   14   14   18   47                                       
CONECT   20   17   23   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   24    4    1                                            
CONECT   23    3   20    2                                            
CONECT   24    3   22   48   49                                       
CONECT   25   11                                                      
CONECT   26   28   15                                                 
CONECT   27   16                                                      
CONECT   28   26   50   51   52                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
