COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.633   0.061   0.433  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.284   0.412   1.545  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.804   0.676  -0.195  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.495   1.632   0.458  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.672   2.250  -0.174  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.080   1.845  -1.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.184   2.429  -2.033  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.887   3.414  -1.362  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.490   3.820  -0.100  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.392   3.242   0.500  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.696   0.317  -0.848  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.529  -0.624  -0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.711  -1.435   0.364  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.537  -2.889  -0.079  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.657  -3.724   0.487  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.771  -5.022   0.142  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.806  -5.622  -0.783  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.632  -6.200   0.010  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.860  -5.833   0.692  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.077  -5.746  -0.231  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.456  -3.228   1.252  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.938  -0.890  -0.222  1.00  0.00           N  
HETATM   23  N   UNL     1       0.713  -0.944   0.313  1.00  0.00           N  
HETATM   24  C   UNL     1       1.862  -0.155  -0.139  1.00  0.00           C  
HETATM   25  C   UNL     1       3.106  -1.002  -0.080  1.00  0.00           C  
HETATM   26  O   UNL     1       3.041  -2.152   0.301  1.00  0.00           O  
HETATM   27  C   UNL     1       2.032   1.065   0.769  1.00  0.00           C  
HETATM   28  C   UNL     1       0.839   1.974   0.617  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.264   1.809   1.434  1.00  0.00           C  
HETATM   30  C   UNL     1       0.852   2.976  -0.335  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.358   2.641   1.296  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.241   3.810  -0.475  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.349   3.642   0.338  1.00  0.00           C  
HETATM   34  F   UNL     1      -2.418   4.457   0.203  1.00  0.00           F  
HETATM   35  C   UNL     1       8.874   0.994  -1.759  1.00  0.00           C  
HETATM   36  C   UNL     1       8.251   0.101  -2.576  1.00  0.00           C  
HETATM   37  C   UNL     1       8.417   1.168  -0.442  1.00  0.00           C  
HETATM   38  C   UNL     1       6.849   0.588   1.331  1.00  0.00           C  
HETATM   39  C   UNL     1       7.306   0.414   0.014  1.00  0.00           C  
HETATM   40  C   UNL     1       7.475   1.477   2.149  1.00  0.00           C  
HETATM   41  N   UNL     1       4.293  -0.482  -0.452  1.00  0.00           N  
HETATM   42  C   UNL     1       5.503  -1.306  -0.396  1.00  0.00           C  
HETATM   43  C   UNL     1       6.685  -0.495  -0.860  1.00  0.00           C  
HETATM   44  C   UNL     1       7.163  -0.646  -2.126  1.00  0.00           C  
HETATM   45  C   UNL     1       8.567   2.218   1.702  1.00  0.00           C  
HETATM   46  C   UNL     1       9.038   2.076   0.432  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.113   0.364  -1.182  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.186   1.944   1.444  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.531   1.077  -1.974  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.500   2.117  -3.018  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.751   3.867  -1.826  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.044   4.590   0.417  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.086   3.557   1.487  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.777  -1.392   1.451  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.558  -2.943  -1.167  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.582  -3.268   0.285  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.290  -6.418  -1.348  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.440  -4.859  -1.470  1.00  0.00           H  
HETATM   59  H   UNL     1       0.086  -6.646  -0.678  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.147  -5.403   0.575  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.998  -6.962   0.697  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.536  -6.871   0.769  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.127  -5.461   1.681  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.401  -4.708  -0.309  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.810  -6.118  -1.220  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.887  -6.350   0.178  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.251  -1.214  -1.081  1.00  0.00           H  
HETATM   68  H   UNL     1       0.846  -1.696   0.910  1.00  0.00           H  
HETATM   69  H   UNL     1       1.695   0.175  -1.164  1.00  0.00           H  
HETATM   70  H   UNL     1       2.110   0.738   1.806  1.00  0.00           H  
HETATM   71  H   UNL     1       2.937   1.603   0.488  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.271   1.028   2.180  1.00  0.00           H  
HETATM   73  H   UNL     1       1.716   3.107  -0.969  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.220   2.511   1.933  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.231   4.593  -1.219  1.00  0.00           H  
HETATM   76  H   UNL     1       9.719   1.562  -2.120  1.00  0.00           H  
HETATM   77  H   UNL     1       8.605  -0.032  -3.587  1.00  0.00           H  
HETATM   78  H   UNL     1       6.004   0.021   1.691  1.00  0.00           H  
HETATM   79  H   UNL     1       7.121   1.610   3.161  1.00  0.00           H  
HETATM   80  H   UNL     1       4.346   0.437  -0.757  1.00  0.00           H  
HETATM   81  H   UNL     1       5.670  -1.637   0.630  1.00  0.00           H  
HETATM   82  H   UNL     1       5.382  -2.175  -1.042  1.00  0.00           H  
HETATM   83  H   UNL     1       6.687  -1.347  -2.794  1.00  0.00           H  
HETATM   84  H   UNL     1       9.046   2.917   2.372  1.00  0.00           H  
HETATM   85  H   UNL     1       9.885   2.658   0.099  1.00  0.00           H  
CONECT    1   22    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    4    4    1   47                                       
CONECT    4    5    3    3   48                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   49                                       
CONECT    7    6    6    8   50                                       
CONECT    8    7    9    9   51                                       
CONECT    9    8    8   10   52                                       
CONECT   10    5    5    9   53                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   23   13                                       
CONECT   13   12   14   22   54                                       
CONECT   14   13   15   56   55                                       
CONECT   15   14   16   21   21                                       
CONECT   16   19   15   17                                            
CONECT   17   16   18   58   57                                       
CONECT   18   17   60   61   59                                       
CONECT   19   20   16   63   62                                       
CONECT   20   19   65   66   64                                       
CONECT   21   15   15                                                 
CONECT   22   13    1   67                                            
CONECT   23   24   12   68                                            
CONECT   24   25   27   23   69                                       
CONECT   25   41   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   70   71                                       
CONECT   28   30   27   29   29                                       
CONECT   29   28   28   31   72                                       
CONECT   30   32   32   28   73                                       
CONECT   31   33   33   29   74                                       
CONECT   32   30   30   33   75                                       
CONECT   33   32   34   31   31                                       
CONECT   34   33                                                      
CONECT   35   36   36   37   76                                       
CONECT   36   35   35   44   77                                       
CONECT   37   35   46   46   39                                       
CONECT   38   39   39   40   78                                       
CONECT   39   37   43   38   38                                       
CONECT   40   45   45   38   79                                       
CONECT   41   42   25   80                                            
CONECT   42   43   41   81   82                                       
CONECT   43   44   44   39   42                                       
CONECT   44   36   43   43   83                                       
CONECT   45   46   40   40   84                                       
CONECT   46   37   37   45   85                                       
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
