COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.183  -5.821   2.658  1.00  0.00           C  
HETATM    2  C   UNL     1       0.216  -5.251   1.321  1.00  0.00           C  
HETATM    3  C   UNL     1       0.536  -3.963   1.052  1.00  0.00           C  
HETATM    4  C   UNL     1       0.828  -3.966  -0.332  1.00  0.00           C  
HETATM    5  C   UNL     1       1.247  -2.784  -1.168  1.00  0.00           C  
HETATM    6  N   UNL     1       2.713  -2.743  -1.257  1.00  0.00           N  
HETATM    7  C   UNL     1       3.152  -1.754  -2.251  1.00  0.00           C  
HETATM    8  C   UNL     1       2.742  -0.353  -1.789  1.00  0.00           C  
HETATM    9  N   UNL     1       3.342  -0.078  -0.476  1.00  0.00           N  
HETATM   10  C   UNL     1       3.050   1.217  -0.055  1.00  0.00           C  
HETATM   11  C   UNL     1       4.065   2.146   0.164  1.00  0.00           C  
HETATM   12 BR   UNL     1       5.874   1.666  -0.108  1.00  0.00          Br  
HETATM   13  C   UNL     1       3.737   3.424   0.582  1.00  0.00           C  
HETATM   14  N   UNL     1       2.485   3.783   0.779  1.00  0.00           N  
HETATM   15  C   UNL     1       1.473   2.934   0.585  1.00  0.00           C  
HETATM   16  N   UNL     1       0.136   3.054   0.713  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.445   1.919   0.401  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.902   1.674   0.424  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.777   2.695   0.801  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.135   2.465   0.821  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.634   1.215   0.468  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.008   0.984   0.489  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.317  -0.394   0.083  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.825  -0.630   0.197  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.535   0.338  -0.651  1.00  0.00           N  
HETATM   26  C   UNL     1      -8.222   0.125  -2.070  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.226   1.716  -0.244  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.718   1.952  -0.358  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.765   0.196   0.092  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.407   0.423   0.064  1.00  0.00           C  
HETATM   31  N   UNL     1       0.503   0.998   0.051  1.00  0.00           N  
HETATM   32  C   UNL     1       1.731   1.623   0.155  1.00  0.00           C  
HETATM   33  C   UNL     1       2.903  -1.068   0.518  1.00  0.00           C  
HETATM   34  C   UNL     1       3.313  -2.468   0.056  1.00  0.00           C  
HETATM   35  N   UNL     1       0.664  -5.191  -0.739  1.00  0.00           N  
HETATM   36  O   UNL     1       0.329  -5.920   0.165  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.265  -5.757   2.772  1.00  0.00           H  
HETATM   38  H   UNL     1       0.127  -6.865   2.715  1.00  0.00           H  
HETATM   39  H   UNL     1       0.301  -5.254   3.454  1.00  0.00           H  
HETATM   40  H   UNL     1       0.562  -3.127   1.735  1.00  0.00           H  
HETATM   41  H   UNL     1       0.825  -2.879  -2.168  1.00  0.00           H  
HETATM   42  H   UNL     1       0.885  -1.866  -0.706  1.00  0.00           H  
HETATM   43  H   UNL     1       4.236  -1.799  -2.356  1.00  0.00           H  
HETATM   44  H   UNL     1       2.685  -1.971  -3.212  1.00  0.00           H  
HETATM   45  H   UNL     1       2.963  -3.206   0.777  1.00  0.00           H  
HETATM   46  H   UNL     1       4.399  -2.522  -0.022  1.00  0.00           H  
HETATM   47  H   UNL     1       3.093   0.385  -2.511  1.00  0.00           H  
HETATM   48  H   UNL     1       1.656  -0.299  -1.711  1.00  0.00           H  
HETATM   49  H   UNL     1       3.371  -0.850   1.478  1.00  0.00           H  
HETATM   50  H   UNL     1       1.819  -1.022   0.622  1.00  0.00           H  
HETATM   51  H   UNL     1       4.524   4.143   0.751  1.00  0.00           H  
HETATM   52  H   UNL     1       0.343   0.080  -0.222  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.389   3.665   1.076  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.733  -0.368  -0.231  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.812   3.254   1.112  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.156  -0.773  -0.182  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.002  -0.548  -0.949  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.790  -1.091   0.733  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.483   2.965  -0.030  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.407   1.825  -1.395  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.060  -1.642  -0.132  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.136  -0.502   1.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.522  -0.882  -2.362  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.760   0.854  -2.675  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.149   0.243  -2.227  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.754   2.414  -0.895  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.542   1.870   0.787  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3    3   36                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3    5   35   35                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    7   34                                            
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   33                                            
CONECT   10    9   11   32   32                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11                                                      
CONECT   13   11   11   14   51                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   32                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   31                                       
CONECT   18   17   19   30   30                                       
CONECT   19   18   20   20   53                                       
CONECT   20   19   19   21   55                                       
CONECT   21   20   22   29   29                                       
CONECT   22   21   23   28                                            
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   26   27                                            
CONECT   26   25   63   64   65                                       
CONECT   27   25   28   66   67                                       
CONECT   28   22   27   59   60                                       
CONECT   29   21   21   30   56                                       
CONECT   30   18   18   29   54                                       
CONECT   31   17   32   52                                            
CONECT   32   10   10   15   31                                       
CONECT   33    9   34   49   50                                       
CONECT   34    6   33   45   46                                       
CONECT   35    4    4   36                                            
CONECT   36    2   35                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   34                                                      
CONECT   46   34                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   33                                                      
CONECT   50   33                                                      
CONECT   51   13                                                      
CONECT   52   31                                                      
CONECT   53   19                                                      
CONECT   54   30                                                      
CONECT   55   20                                                      
CONECT   56   29                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
