COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.906   0.628  -0.325  1.00  0.00           C  
HETATM    2  N   UNL     1       3.362  -0.954   0.909  1.00  0.00           N  
HETATM    3  O   UNL     1       1.375  -0.521  -0.988  1.00  0.00           O  
HETATM    4 BR   UNL     1      -7.708   2.463  -0.368  1.00  0.00          Br  
HETATM    5  C   UNL     1       3.222   0.274   0.320  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.667   0.534   2.073  1.00  0.00           N  
HETATM    7  O   UNL     1       4.141   1.065   0.316  1.00  0.00           O  
HETATM    8  C   UNL     1       4.710  -1.199   1.484  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.114  -0.682   1.642  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.890  -0.090  -0.484  1.00  0.00           O  
HETATM   11  C   UNL     1       4.844  -2.671   1.878  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.131  -2.136  -1.584  1.00  0.00           N  
HETATM   13  O   UNL     1      -4.866  -3.507  -1.388  1.00  0.00           O  
HETATM   14  C   UNL     1       6.270  -2.942   2.361  1.00  0.00           C  
HETATM   15  N   UNL     1       6.806  -0.086   0.779  1.00  0.00           N  
HETATM   16  O   UNL     1      -4.433  -2.739  -3.424  1.00  0.00           O  
HETATM   17  O   UNL     1       5.614  -1.266  -0.700  1.00  0.00           O  
HETATM   18  C   UNL     1       0.922   1.100   0.747  1.00  0.00           C  
HETATM   19  C   UNL     1       0.698  -0.020   1.764  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.377   0.407   2.765  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.664   1.186   2.934  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.897   1.498   2.126  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.248  -0.922   0.323  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.844  -2.223  -0.150  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.852  -3.360   0.103  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.529  -3.048  -0.600  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.609  -3.500   1.607  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.424  -4.668  -0.445  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.169  -2.819  -2.106  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.566  -3.502  -3.917  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.919   0.571   2.039  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.050   0.857   1.298  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.161   2.072   0.645  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.138   2.999   0.733  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.009   2.714   1.477  1.00  0.00           C  
HETATM   36  C   UNL     1       2.134   1.748  -1.344  1.00  0.00           C  
HETATM   37  C   UNL     1       3.616   1.916  -1.566  1.00  0.00           C  
HETATM   38  C   UNL     1       4.232   1.281  -2.628  1.00  0.00           C  
HETATM   39  C   UNL     1       5.592   1.426  -2.826  1.00  0.00           C  
HETATM   40  C   UNL     1       6.337   2.207  -1.962  1.00  0.00           C  
HETATM   41  C   UNL     1       5.720   2.849  -0.905  1.00  0.00           C  
HETATM   42  C   UNL     1       4.359   2.704  -0.707  1.00  0.00           C  
HETATM   43  C   UNL     1       7.822   2.352  -2.171  1.00  0.00           C  
HETATM   44  C   UNL     1       8.510   2.487  -0.838  1.00  0.00           C  
HETATM   45  C   UNL     1       5.737  -0.858   0.435  1.00  0.00           C  
HETATM   46  C   UNL     1       3.856  -2.990   3.002  1.00  0.00           C  
HETATM   47  C   UNL     1       8.480   1.501   0.023  1.00  0.00           C  
HETATM   48  C   UNL     1       7.755   0.224  -0.312  1.00  0.00           C  
HETATM   49  H   UNL     1       2.645  -1.607   0.947  1.00  0.00           H  
HETATM   50  H   UNL     1       1.947  -0.873  -1.684  1.00  0.00           H  
HETATM   51  H   UNL     1       4.856  -0.569   2.361  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.335  -1.374   2.285  1.00  0.00           H  
HETATM   53  H   UNL     1       4.627  -3.300   1.015  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.574  -1.587  -2.158  1.00  0.00           H  
HETATM   55  H   UNL     1       6.487  -2.314   3.225  1.00  0.00           H  
HETATM   56  H   UNL     1       6.365  -3.991   2.642  1.00  0.00           H  
HETATM   57  H   UNL     1       6.974  -2.715   1.561  1.00  0.00           H  
HETATM   58  H   UNL     1       6.937   0.239   1.683  1.00  0.00           H  
HETATM   59  H   UNL     1       1.330   1.975   1.254  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.027   1.361   0.279  1.00  0.00           H  
HETATM   61  H   UNL     1       0.374  -0.923   1.245  1.00  0.00           H  
HETATM   62  H   UNL     1       1.629  -0.221   2.295  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.104   1.366   3.205  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.460  -0.343   3.552  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.926   0.520   3.755  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.248   2.111   3.334  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.767  -2.419   0.394  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.166  -2.073  -0.275  1.00  0.00           H  
HETATM   69  H   UNL     1       0.206  -3.812  -0.346  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.684  -3.037  -1.679  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.557  -3.688   2.112  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.928  -4.331   1.790  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.170  -2.579   1.992  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.597  -4.569  -1.517  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.717  -5.478  -0.265  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.367  -4.890   0.056  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.407  -4.561  -3.714  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.475  -3.168  -3.415  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.667  -3.349  -4.991  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.832  -0.377   2.549  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.848   0.133   1.230  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.223   3.947   0.222  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.212   3.440   1.549  1.00  0.00           H  
HETATM   84  H   UNL     1       1.651   1.488  -2.286  1.00  0.00           H  
HETATM   85  H   UNL     1       1.715   2.679  -0.963  1.00  0.00           H  
HETATM   86  H   UNL     1       3.650   0.670  -3.303  1.00  0.00           H  
HETATM   87  H   UNL     1       6.073   0.930  -3.656  1.00  0.00           H  
HETATM   88  H   UNL     1       6.300   3.464  -0.233  1.00  0.00           H  
HETATM   89  H   UNL     1       3.877   3.206   0.119  1.00  0.00           H  
HETATM   90  H   UNL     1       8.203   1.472  -2.689  1.00  0.00           H  
HETATM   91  H   UNL     1       8.018   3.240  -2.772  1.00  0.00           H  
HETATM   92  H   UNL     1       9.033   3.401  -0.592  1.00  0.00           H  
HETATM   93  H   UNL     1       2.836  -2.883   2.631  1.00  0.00           H  
HETATM   94  H   UNL     1       4.012  -4.013   3.344  1.00  0.00           H  
HETATM   95  H   UNL     1       4.015  -2.302   3.832  1.00  0.00           H  
HETATM   96  H   UNL     1       8.977   1.604   0.977  1.00  0.00           H  
HETATM   97  H   UNL     1       8.474  -0.589  -0.413  1.00  0.00           H  
HETATM   98  H   UNL     1       7.208   0.349  -1.247  1.00  0.00           H  
CONECT    1    3    5   18   36                                       
CONECT    2    5    8   49                                            
CONECT    3    1   50                                                 
CONECT    4   33                                                      
CONECT    5    1    2    7    7                                       
CONECT    6    9   20   21                                            
CONECT    7    5    5                                                 
CONECT    8    2   11   45   51                                       
CONECT    9    6   23   52                                            
CONECT   10   23   23                                                 
CONECT   11    8   14   46   53                                       
CONECT   12   24   29   54                                            
CONECT   13   29   29                                                 
CONECT   14   11   55   56   57                                       
CONECT   15   45   48   58                                            
CONECT   16   29   30                                                 
CONECT   17   45   45                                                 
CONECT   18    1   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20    6   19   63   64                                       
CONECT   21    6   22   65   66                                       
CONECT   22   21   31   31   35                                       
CONECT   23    9   10   10   24                                       
CONECT   24   12   23   25   67                                       
CONECT   25   24   26   27   28                                       
CONECT   26   25   68   69   70                                       
CONECT   27   25   71   72   73                                       
CONECT   28   25   74   75   76                                       
CONECT   29   12   13   13   16                                       
CONECT   30   16   77   78   79                                       
CONECT   31   22   22   32   80                                       
CONECT   32   31   33   33   81                                       
CONECT   33    4   32   32   34                                       
CONECT   34   33   35   35   82                                       
CONECT   35   22   34   34   83                                       
CONECT   36    1   37   84   85                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   86                                       
CONECT   39   38   40   40   87                                       
CONECT   40   39   39   41   43                                       
CONECT   41   40   42   42   88                                       
CONECT   42   37   41   41   89                                       
CONECT   43   40   44   90   91                                       
CONECT   44   43   47   47   92                                       
CONECT   45    8   15   17   17                                       
CONECT   46   11   93   94   95                                       
CONECT   47   44   44   48   96                                       
CONECT   48   15   47   97   98                                       
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
