COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.423  -0.482   2.706  1.00  0.00           C  
HETATM    2  C   UNL     1       4.193  -1.528   2.232  1.00  0.00           C  
HETATM    3  C   UNL     1       4.963  -2.271   3.108  1.00  0.00           C  
HETATM    4  C   UNL     1       4.963  -1.968   4.457  1.00  0.00           C  
HETATM    5  C   UNL     1       4.193  -0.922   4.930  1.00  0.00           C  
HETATM    6  C   UNL     1       3.427  -0.176   4.054  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.906  -2.706  -0.467  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.543  -2.251  -1.606  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.911  -2.053  -1.600  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.642  -2.310  -0.455  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.004  -2.765   0.685  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.637  -2.968   0.677  1.00  0.00           C  
HETATM   13  C   UNL     1       0.586  -2.922  -0.473  1.00  0.00           C  
HETATM   14  C   UNL     1       2.895   4.400  -3.306  1.00  0.00           C  
HETATM   15  C   UNL     1       1.013  -1.587   1.422  1.00  0.00           C  
HETATM   16  O   UNL     1       1.583   2.107  -2.810  1.00  0.00           O  
HETATM   17  N   UNL     1       3.381   0.916  -2.283  1.00  0.00           N  
HETATM   18  C   UNL     1       2.584   0.328   1.752  1.00  0.00           C  
HETATM   19  O   UNL     1       0.671   0.019   3.196  1.00  0.00           O  
HETATM   20  O   UNL     1       3.533   3.163  -2.892  1.00  0.00           O  
HETATM   21  C   UNL     1       0.275   0.732   0.941  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.116   0.288  -0.118  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.050   1.987   1.307  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.875   2.817   0.425  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.344   2.585   0.710  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.009   3.798   0.743  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.043   1.411   0.926  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.401   1.445   1.172  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.066   2.656   1.204  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.636   4.313   0.719  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.217   4.505   2.072  1.00  0.00           O  
HETATM   32  C   UNL     1       2.789   2.064  -2.667  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.371   3.830   0.989  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.033   4.925   0.480  1.00  0.00           C  
HETATM   35  C   UNL     1       2.572  -0.280  -2.038  1.00  0.00           C  
HETATM   36  C   UNL     1       2.335  -1.016  -3.359  1.00  0.00           C  
HETATM   37  C   UNL     1       3.681  -1.346  -4.007  1.00  0.00           C  
HETATM   38  C   UNL     1       1.124  -0.121   1.848  1.00  0.00           C  
HETATM   39  C   UNL     1       1.567  -2.311  -3.091  1.00  0.00           C  
HETATM   40  C   UNL     1       3.296  -1.190  -1.080  1.00  0.00           C  
HETATM   41  N   UNL     1       1.260  -1.697  -0.022  1.00  0.00           N  
HETATM   42  O   UNL     1       4.505  -1.276  -1.122  1.00  0.00           O  
HETATM   43  N   UNL     1       2.601  -1.908  -0.175  1.00  0.00           N  
HETATM   44 BR   UNL     1      -5.514  -2.040  -0.447  1.00  0.00          Br  
HETATM   45  C   UNL     1       1.521  -0.125  -4.300  1.00  0.00           C  
HETATM   46  H   UNL     1       4.193  -1.765   1.179  1.00  0.00           H  
HETATM   47  H   UNL     1       5.564  -3.089   2.738  1.00  0.00           H  
HETATM   48  H   UNL     1       5.563  -2.549   5.141  1.00  0.00           H  
HETATM   49  H   UNL     1       4.193  -0.685   5.984  1.00  0.00           H  
HETATM   50  H   UNL     1       2.826   0.642   4.424  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.972  -2.050  -2.500  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.409  -1.698  -2.490  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.574  -2.966   1.580  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.139  -3.324   1.567  1.00  0.00           H  
HETATM   55  H   UNL     1       0.913  -3.166  -1.484  1.00  0.00           H  
HETATM   56  H   UNL     1       0.837  -3.743   0.198  1.00  0.00           H  
HETATM   57  H   UNL     1       3.652   5.172  -3.439  1.00  0.00           H  
HETATM   58  H   UNL     1       2.369   4.240  -4.248  1.00  0.00           H  
HETATM   59  H   UNL     1       2.184   4.715  -2.542  1.00  0.00           H  
HETATM   60  H   UNL     1       0.012  -1.956   1.649  1.00  0.00           H  
HETATM   61  H   UNL     1       1.750  -2.180   1.963  1.00  0.00           H  
HETATM   62  H   UNL     1       4.344   0.881  -2.169  1.00  0.00           H  
HETATM   63  H   UNL     1       2.944   0.177   0.734  1.00  0.00           H  
HETATM   64  H   UNL     1       2.657   1.384   2.010  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.223  -0.348   3.230  1.00  0.00           H  
HETATM   66  H   UNL     1       0.263   2.342   2.154  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.652   2.596  -0.619  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.524   0.464   0.902  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.943   0.526   1.340  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.129   2.684   1.396  1.00  0.00           H  
HETATM   71  H   UNL     1       0.094   4.732   0.026  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.085   5.455   2.191  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.892   4.776   1.014  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.209   5.747   1.174  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.123   5.271  -0.549  1.00  0.00           H  
HETATM   76  H   UNL     1       1.613   0.012  -1.608  1.00  0.00           H  
HETATM   77  H   UNL     1       4.224  -2.052  -3.378  1.00  0.00           H  
HETATM   78  H   UNL     1       3.513  -1.788  -4.989  1.00  0.00           H  
HETATM   79  H   UNL     1       4.266  -0.432  -4.115  1.00  0.00           H  
HETATM   80  H   UNL     1       0.679  -2.091  -2.498  1.00  0.00           H  
HETATM   81  H   UNL     1       1.269  -2.760  -4.038  1.00  0.00           H  
HETATM   82  H   UNL     1       2.205  -3.006  -2.545  1.00  0.00           H  
HETATM   83  H   UNL     1       3.052  -2.574   0.366  1.00  0.00           H  
HETATM   84  H   UNL     1       2.068   0.798  -4.491  1.00  0.00           H  
HETATM   85  H   UNL     1       1.352  -0.649  -5.241  1.00  0.00           H  
HETATM   86  H   UNL     1       0.562   0.110  -3.838  1.00  0.00           H  
CONECT    1    2    2    6   18                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    6    6   49                                       
CONECT    6    1    5    5   50                                       
CONECT    7    8    8   12   13                                       
CONECT    8    7    7    9   51                                       
CONECT    9    8   10   10   52                                       
CONECT   10    9    9   11   44                                       
CONECT   11   10   12   12   53                                       
CONECT   12    7   11   11   54                                       
CONECT   13    7   41   55   56                                       
CONECT   14   20   57   58   59                                       
CONECT   15   38   41   60   61                                       
CONECT   16   32   32                                                 
CONECT   17   32   35   62                                            
CONECT   18    1   38   63   64                                       
CONECT   19   38   65                                                 
CONECT   20   14   32                                                 
CONECT   21   22   22   23   38                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   66                                            
CONECT   24   23   25   30   67                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   33   34                                       
CONECT   27   25   28   28   68                                       
CONECT   28   27   27   29   69                                       
CONECT   29   28   33   33   70                                       
CONECT   30   24   31   34   71                                       
CONECT   31   30   72                                                 
CONECT   32   16   16   17   20                                       
CONECT   33   26   29   29   73                                       
CONECT   34   26   30   74   75                                       
CONECT   35   17   36   40   76                                       
CONECT   36   35   37   39   45                                       
CONECT   37   36   77   78   79                                       
CONECT   38   15   18   19   21                                       
CONECT   39   36   80   81   82                                       
CONECT   40   35   42   42   43                                       
CONECT   41   13   15   43                                            
CONECT   42   40   40                                                 
CONECT   43   40   41   83                                            
CONECT   44   10                                                      
CONECT   45   36   84   85   86                                       
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
