COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.385   0.442   2.238  1.00  0.00           C  
HETATM    2  C   UNL     1       2.907  -1.250  -0.160  1.00  0.00           C  
HETATM    3  C   UNL     1       3.787  -1.413  -1.231  1.00  0.00           C  
HETATM    4  C   UNL     1       4.988  -0.735  -1.242  1.00  0.00           C  
HETATM    5  C   UNL     1       5.322   0.106  -0.193  1.00  0.00           C  
HETATM    6  C   UNL     1       4.453   0.271   0.872  1.00  0.00           C  
HETATM    7  C   UNL     1       3.246  -0.397   0.892  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.298  -3.933   1.487  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.509  -1.767   1.778  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.162   1.094  -0.581  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.207  -0.342  -0.050  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.620  -0.384   1.296  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.874   3.437  -0.112  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.845  -0.629   1.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.033  -1.952   0.656  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.919  -2.340  -0.665  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.616  -1.405  -1.641  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.428  -0.079  -1.295  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.346   1.904   1.783  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.542   0.312   0.032  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.924   2.009   0.374  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.936   2.554  -0.637  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.507  -2.532   0.910  1.00  0.00           C  
HETATM   24  C   UNL     1       1.618  -1.974  -0.142  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.505  -1.788  -2.932  1.00  0.00           F  
HETATM   26  N   UNL     1      -4.060   3.731  -0.687  1.00  0.00           N  
HETATM   27  N   UNL     1       0.770  -1.815   0.893  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.358   1.651   0.385  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.931   4.191  -0.004  1.00  0.00           O  
HETATM   30  O   UNL     1       1.323  -2.712  -1.062  1.00  0.00           O  
HETATM   31 BR   UNL     1       6.971   1.031  -0.216  1.00  0.00          Br  
HETATM   32  H   UNL     1      -3.419   0.098   2.266  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.947   0.359   3.233  1.00  0.00           H  
HETATM   34  H   UNL     1       3.529  -2.068  -2.050  1.00  0.00           H  
HETATM   35  H   UNL     1       5.670  -0.860  -2.070  1.00  0.00           H  
HETATM   36  H   UNL     1       4.718   0.928   1.687  1.00  0.00           H  
HETATM   37  H   UNL     1       2.569  -0.268   1.723  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.248  -4.466   1.500  1.00  0.00           H  
HETATM   39  H   UNL     1       0.416  -4.477   0.869  1.00  0.00           H  
HETATM   40  H   UNL     1       0.088  -3.854   2.503  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.166  -1.765   2.813  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.484  -2.252   1.720  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.126   1.423  -0.652  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.625   1.131  -1.568  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.243  -0.681  -0.005  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.640  -0.993  -0.715  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.939  -0.326   2.040  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.269  -2.683   1.415  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.065  -3.375  -0.937  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.192   0.650  -2.056  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.938   2.513   2.465  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.315   2.257   1.781  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.945   2.850  -0.348  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.893  -2.611  -0.106  1.00  0.00           H  
HETATM   55  H   UNL     1       1.006  -1.225   1.627  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.955   2.059  -1.608  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.296   4.589  -1.073  1.00  0.00           H  
CONECT    1   12   19   32   33                                       
CONECT    2    7    7    3   24                                       
CONECT    3    4    4    2   34                                       
CONECT    4    5    3    3   35                                       
CONECT    5   31    6    6    4                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    2    2   37                                       
CONECT    8   23   38   39   40                                       
CONECT    9   23   12   41   42                                       
CONECT   10   11   21   43   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12    9    1   11                                            
CONECT   13   21   26   29   29                                       
CONECT   14   15   20   20   47                                       
CONECT   15   16   16   14   48                                       
CONECT   16   15   15   17   49                                       
CONECT   17   16   25   18   18                                       
CONECT   18   17   17   20   50                                       
CONECT   19    1   21   51   52                                       
CONECT   20   14   14   18   28                                       
CONECT   21   19   28   10   13                                       
CONECT   22   28   26   53   56                                       
CONECT   23   27    9    8   54                                       
CONECT   24    2   30   30   27                                       
CONECT   25   17                                                      
CONECT   26   22   13   57                                            
CONECT   27   24   23   55                                            
CONECT   28   20   21   22                                            
CONECT   29   13   13                                                 
CONECT   30   24   24                                                 
CONECT   31    5                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   22                                                      
CONECT   57   26                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
