COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.879  -3.584  -1.877  1.00  0.00           C  
HETATM    2  C   UNL     1       1.523  -0.939   0.349  1.00  0.00           C  
HETATM    3  C   UNL     1       4.510   0.727   1.982  1.00  0.00           C  
HETATM    4  C   UNL     1       5.050   1.577   0.862  1.00  0.00           C  
HETATM    5  C   UNL     1       4.308   2.672   0.386  1.00  0.00           C  
HETATM    6  C   UNL     1       2.368   4.069   0.448  1.00  0.00           C  
HETATM    7  C   UNL     1       4.092   4.556  -1.145  1.00  0.00           C  
HETATM    8  C   UNL     1       6.085   3.132  -1.217  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.632   0.064  -0.171  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.613  -1.782   1.423  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.277  -3.212   0.980  1.00  0.00           C  
HETATM   12  C   UNL     1       1.214  -3.341   0.836  1.00  0.00           C  
HETATM   13  C   UNL     1       3.448  -2.543   0.322  1.00  0.00           C  
HETATM   14  C   UNL     1       3.765  -2.554  -1.175  1.00  0.00           C  
HETATM   15  C   UNL     1       3.106  -3.508  -3.388  1.00  0.00           C  
HETATM   16  C   UNL     1       2.207  -0.052   1.393  1.00  0.00           C  
HETATM   17  C   UNL     1       3.057   3.000   0.934  1.00  0.00           C  
HETATM   18  C   UNL     1       2.884   4.844  -0.589  1.00  0.00           C  
HETATM   19  C   UNL     1       4.833   3.461  -0.669  1.00  0.00           C  
HETATM   20  C   UNL     1       6.777   2.068  -0.727  1.00  0.00           C  
HETATM   21  C   UNL     1       6.260   1.293   0.310  1.00  0.00           C  
HETATM   22  C   UNL     1       4.213  -1.437   0.995  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.749   1.002  -0.928  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.220   0.811  -0.660  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.843   1.543   0.333  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.192   1.368   0.579  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.919   0.460  -0.171  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.295  -0.272  -1.165  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.947  -0.092  -1.413  1.00  0.00           C  
HETATM   30  C   UNL     1       5.236  -2.921  -1.382  1.00  0.00           C  
HETATM   31  N   UNL     1       0.074  -0.858   0.513  1.00  0.00           N  
HETATM   32  N   UNL     1       2.005  -2.312   0.520  1.00  0.00           N  
HETATM   33  N   UNL     1       3.639  -0.314   1.430  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.977   0.073  -0.099  1.00  0.00           N  
HETATM   35  O   UNL     1      -0.054   0.889  -0.853  1.00  0.00           O  
HETATM   36  O   UNL     1       5.409  -1.572   1.149  1.00  0.00           O  
HETATM   37  O   UNL     1       1.720  -4.429   1.014  1.00  0.00           O  
HETATM   38 BR   UNL     1      -8.764   0.220   0.165  1.00  0.00          Br  
HETATM   39  H   UNL     1       3.132  -4.583  -1.521  1.00  0.00           H  
HETATM   40  H   UNL     1       1.832  -3.374  -1.656  1.00  0.00           H  
HETATM   41  H   UNL     1       1.794  -0.584  -0.645  1.00  0.00           H  
HETATM   42  H   UNL     1       5.338   0.262   2.517  1.00  0.00           H  
HETATM   43  H   UNL     1       3.938   1.351   2.669  1.00  0.00           H  
HETATM   44  H   UNL     1       1.406   4.319   0.871  1.00  0.00           H  
HETATM   45  H   UNL     1       4.480   5.165  -1.947  1.00  0.00           H  
HETATM   46  H   UNL     1       6.498   3.724  -2.021  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.690  -1.622   1.368  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.267  -1.622   2.444  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.634  -3.919   1.729  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.757  -3.420   0.024  1.00  0.00           H  
HETATM   51  H   UNL     1       3.728  -3.501   0.761  1.00  0.00           H  
HETATM   52  H   UNL     1       3.575  -1.566  -1.593  1.00  0.00           H  
HETATM   53  H   UNL     1       2.853  -2.509  -3.743  1.00  0.00           H  
HETATM   54  H   UNL     1       4.153  -3.718  -3.609  1.00  0.00           H  
HETATM   55  H   UNL     1       2.474  -4.242  -3.888  1.00  0.00           H  
HETATM   56  H   UNL     1       2.039   0.995   1.139  1.00  0.00           H  
HETATM   57  H   UNL     1       1.780  -0.257   2.374  1.00  0.00           H  
HETATM   58  H   UNL     1       2.645   2.408   1.738  1.00  0.00           H  
HETATM   59  H   UNL     1       2.316   5.686  -0.956  1.00  0.00           H  
HETATM   60  H   UNL     1       7.741   1.821  -1.147  1.00  0.00           H  
HETATM   61  H   UNL     1       6.830   0.453   0.680  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.543   0.808  -1.980  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.466   2.026  -0.685  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.275   2.251   0.918  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.678   1.939   1.355  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.863  -0.978  -1.753  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.460  -0.664  -2.189  1.00  0.00           H  
HETATM   68  H   UNL     1       5.484  -2.844  -2.441  1.00  0.00           H  
HETATM   69  H   UNL     1       5.865  -2.237  -0.811  1.00  0.00           H  
HETATM   70  H   UNL     1       5.407  -3.942  -1.041  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.435  -0.536   0.501  1.00  0.00           H  
CONECT    1   15   14   39   40                                       
CONECT    2   16   32   31   41                                       
CONECT    3    4   33   42   43                                       
CONECT    4    5    3   21   21                                       
CONECT    5   17   17   19    4                                       
CONECT    6   18   18   17   44                                       
CONECT    7   18   19   19   45                                       
CONECT    8   19   20   20   46                                       
CONECT    9   35   35   31   34                                       
CONECT   10   31   11   47   48                                       
CONECT   11   12   10   49   50                                       
CONECT   12   32   37   37   11                                       
CONECT   13   22   14   32   51                                       
CONECT   14    1   13   30   52                                       
CONECT   15    1   53   54   55                                       
CONECT   16   33    2   56   57                                       
CONECT   17    6    5    5   58                                       
CONECT   18    6    6    7   59                                       
CONECT   19    7    7    5    8                                       
CONECT   20    8    8   21   60                                       
CONECT   21    4    4   20   61                                       
CONECT   22   36   36   33   13                                       
CONECT   23   34   24   62   63                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   64                                       
CONECT   26   27   27   25   65                                       
CONECT   27   28   38   26   26                                       
CONECT   28   29   29   27   66                                       
CONECT   29   28   28   24   67                                       
CONECT   30   14   68   69   70                                       
CONECT   31    2    9   10                                            
CONECT   32   13    2   12                                            
CONECT   33    3   22   16                                            
CONECT   34    9   23   71                                            
CONECT   35    9    9                                                 
CONECT   36   22   22                                                 
CONECT   37   12   12                                                 
CONECT   38   27                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
