COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.265  -0.339   2.059  1.00  0.00           O  
HETATM    2  C   UNL     1       3.351   0.708  -1.810  1.00  0.00           C  
HETATM    3  C   UNL     1       4.684   0.288  -1.248  1.00  0.00           C  
HETATM    4  C   UNL     1       5.651   1.239  -0.980  1.00  0.00           C  
HETATM    5  C   UNL     1       6.875   0.855  -0.464  1.00  0.00           C  
HETATM    6  C   UNL     1       7.131  -0.481  -0.215  1.00  0.00           C  
HETATM    7  C   UNL     1       6.163  -1.432  -0.483  1.00  0.00           C  
HETATM    8  C   UNL     1       4.938  -1.047  -0.994  1.00  0.00           C  
HETATM    9  C   UNL     1       1.195   1.629  -1.205  1.00  0.00           C  
HETATM   10  C   UNL     1       0.337   2.074  -0.016  1.00  0.00           C  
HETATM   11  C   UNL     1       1.300   0.145   1.296  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.374   3.380   0.204  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.274   2.699   0.687  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.291   1.305   0.753  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.115   0.573   1.270  1.00  0.00           C  
HETATM   16  C   UNL     1       2.120  -0.224   0.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.495   2.686  -0.211  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.521   1.298  -0.149  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.420   0.604   0.329  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.031  -0.528   0.066  1.00  0.00           C  
HETATM   21  N   UNL     1       2.422   0.994  -0.708  1.00  0.00           N  
HETATM   22  N   UNL     1       0.124   0.917   0.866  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.659   0.600  -0.570  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.312  -1.222  -0.318  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.250  -1.626  -1.768  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.266  -1.377  -2.423  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.335  -0.985   0.948  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.498  -2.468   0.551  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.799  -3.172   0.161  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.492  -0.271  -0.104  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.555   0.139   1.368  1.00  0.00           C  
HETATM   32 BR   UNL     1       8.805  -1.008   0.490  1.00  0.00          Br  
HETATM   33  H   UNL     1       3.478   1.603  -2.419  1.00  0.00           H  
HETATM   34  H   UNL     1       2.947  -0.096  -2.426  1.00  0.00           H  
HETATM   35  H   UNL     1       5.451   2.283  -1.174  1.00  0.00           H  
HETATM   36  H   UNL     1       7.630   1.598  -0.255  1.00  0.00           H  
HETATM   37  H   UNL     1       6.363  -2.476  -0.289  1.00  0.00           H  
HETATM   38  H   UNL     1       4.181  -1.789  -1.199  1.00  0.00           H  
HETATM   39  H   UNL     1       0.636   0.916  -1.811  1.00  0.00           H  
HETATM   40  H   UNL     1       1.454   2.497  -1.811  1.00  0.00           H  
HETATM   41  H   UNL     1       0.851   2.863   0.532  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.624   2.442  -0.376  1.00  0.00           H  
HETATM   43  H   UNL     1       0.976  -0.764   1.804  1.00  0.00           H  
HETATM   44  H   UNL     1       1.908   0.745   1.972  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.359   4.458   0.155  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.402   3.245   1.014  1.00  0.00           H  
HETATM   47  H   UNL     1       3.051  -0.701   0.363  1.00  0.00           H  
HETATM   48  H   UNL     1       1.548  -0.912  -0.568  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.354   3.224  -0.583  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.438  -0.475   0.377  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.179   0.928  -1.320  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.085  -2.139  -2.223  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.658  -3.146   0.399  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.544  -2.176   1.600  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.932  -4.060   0.780  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.639  -2.495   0.313  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.754  -3.464  -0.888  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.359   0.617  -0.723  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.418  -0.773  -0.382  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.688  -0.748   1.987  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.628   0.641   1.646  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.395   0.817   1.521  1.00  0.00           H  
CONECT    1   15   15                                                 
CONECT    2   21    3   33   34                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    5    5    7   32                                       
CONECT    7    8    8    6   37                                       
CONECT    8    3    7    7   38                                       
CONECT    9   10   21   39   40                                       
CONECT   10    9   22   41   42                                       
CONECT   11   22   16   43   44                                       
CONECT   12   17   17   13   45                                       
CONECT   13   14   14   12   46                                       
CONECT   14   19   15   13   13                                       
CONECT   15    1    1   22   14                                       
CONECT   16   21   11   47   48                                       
CONECT   17   18   12   12   49                                       
CONECT   18   23   19   19   17                                       
CONECT   19   18   18   14   50                                       
CONECT   20   27   27   24   23                                       
CONECT   21    9    2   16                                            
CONECT   22   10   15   11                                            
CONECT   23   20   18   51                                            
CONECT   24   25   30   20   28                                       
CONECT   25   26   26   24   52                                       
CONECT   26   25   25                                                 
CONECT   27   20   20                                                 
CONECT   28   24   29   53   54                                       
CONECT   29   28   55   56   57                                       
CONECT   30   24   31   58   59                                       
CONECT   31   30   60   61   62                                       
CONECT   32    6                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
