COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.071   2.225  -2.846  1.00  0.00           C  
HETATM    2  C   UNL     1       4.859   2.879  -2.707  1.00  0.00           C  
HETATM    3  C   UNL     1       3.990   2.519  -1.698  1.00  0.00           C  
HETATM    4  C   UNL     1       4.335   1.493  -0.817  1.00  0.00           C  
HETATM    5  C   UNL     1       5.558   0.837  -0.964  1.00  0.00           C  
HETATM    6  C   UNL     1       6.419   1.207  -1.977  1.00  0.00           C  
HETATM    7  C   UNL     1       3.409   1.102   0.267  1.00  0.00           C  
HETATM    8  O   UNL     1       2.684   1.935   0.777  1.00  0.00           O  
HETATM    9  N   UNL     1       3.367  -0.177   0.689  1.00  0.00           N  
HETATM   10  C   UNL     1       2.135  -0.813   0.873  1.00  0.00           C  
HETATM   11  C   UNL     1       2.091  -2.166   1.188  1.00  0.00           C  
HETATM   12  C   UNL     1       0.876  -2.799   1.370  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.302  -2.092   1.242  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.269  -0.732   0.926  1.00  0.00           C  
HETATM   15  C   UNL     1       0.957  -0.092   0.747  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.529   0.027   0.787  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.590  -0.350   0.019  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.656   0.516   0.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.473   1.619   0.842  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.885   1.548   1.594  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.420   2.652   1.034  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.497   2.604   0.469  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.129   3.692   1.845  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.797   0.300  -0.660  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.833  -0.437  -0.008  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.011  -0.577  -0.937  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.968  -0.095  -2.044  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.108  -1.237  -0.534  1.00  0.00           O  
HETATM   29 BR   UNL     1      -2.594  -1.941  -1.003  1.00  0.00          Br  
HETATM   30  C   UNL     1       4.612  -0.901   0.956  1.00  0.00           C  
HETATM   31  C   UNL     1       5.684   0.084   1.427  1.00  0.00           C  
HETATM   32  C   UNL     1       6.984  -0.672   1.706  1.00  0.00           C  
HETATM   33  C   UNL     1       7.456  -1.366   0.426  1.00  0.00           C  
HETATM   34  C   UNL     1       6.384  -2.351  -0.045  1.00  0.00           C  
HETATM   35  C   UNL     1       5.083  -1.594  -0.324  1.00  0.00           C  
HETATM   36  H   UNL     1       6.746   2.508  -3.640  1.00  0.00           H  
HETATM   37  H   UNL     1       4.594   3.673  -3.389  1.00  0.00           H  
HETATM   38  H   UNL     1       3.045   3.031  -1.590  1.00  0.00           H  
HETATM   39  H   UNL     1       5.831   0.043  -0.285  1.00  0.00           H  
HETATM   40  H   UNL     1       7.364   0.698  -2.094  1.00  0.00           H  
HETATM   41  H   UNL     1       3.010  -2.724   1.289  1.00  0.00           H  
HETATM   42  H   UNL     1       0.849  -3.851   1.614  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.249  -2.591   1.385  1.00  0.00           H  
HETATM   44  H   UNL     1       0.989   0.960   0.507  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.837   4.347   1.913  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.462  -1.426   0.260  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.142   0.091   0.894  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.838  -1.300  -1.165  1.00  0.00           H  
HETATM   49  H   UNL     1       4.439  -1.648   1.731  1.00  0.00           H  
HETATM   50  H   UNL     1       5.857   0.831   0.652  1.00  0.00           H  
HETATM   51  H   UNL     1       5.348   0.578   2.339  1.00  0.00           H  
HETATM   52  H   UNL     1       7.748   0.029   2.041  1.00  0.00           H  
HETATM   53  H   UNL     1       6.812  -1.419   2.481  1.00  0.00           H  
HETATM   54  H   UNL     1       7.629  -0.619  -0.349  1.00  0.00           H  
HETATM   55  H   UNL     1       8.382  -1.904   0.625  1.00  0.00           H  
HETATM   56  H   UNL     1       6.720  -2.845  -0.957  1.00  0.00           H  
HETATM   57  H   UNL     1       6.211  -3.097   0.730  1.00  0.00           H  
HETATM   58  H   UNL     1       4.320  -2.296  -0.659  1.00  0.00           H  
HETATM   59  H   UNL     1       5.256  -0.848  -1.099  1.00  0.00           H  
CONECT    1    2    2    6   36                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   39                                       
CONECT    6    1    5    5   40                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   30                                            
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   13   15   15   16                                       
CONECT   15   10   14   14   44                                       
CONECT   16   14   20   17   17                                       
CONECT   17   16   16   18   29                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   21                                       
CONECT   20   16   19                                                 
CONECT   21   19   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   45                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26   46   47                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   48                                                 
CONECT   29   17                                                      
CONECT   30    9   31   35   49                                       
CONECT   31   30   32   50   51                                       
CONECT   32   31   33   52   53                                       
CONECT   33   32   34   54   55                                       
CONECT   34   33   35   56   57                                       
CONECT   35   30   34   58   59                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
