COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.691  -4.846  -0.903  1.00  0.00           C  
HETATM    2  F   UNL     1       3.685  -2.033   2.608  1.00  0.00           F  
HETATM    3  N   UNL     1      -0.492  -5.038  -1.350  1.00  0.00           N  
HETATM    4  S   UNL     1       0.732  -3.575   0.235  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.478  -4.250  -0.880  1.00  0.00           C  
HETATM    6  F   UNL     1       2.408  -1.005   1.017  1.00  0.00           F  
HETATM    7  C   UNL     1      -1.002  -3.323   0.054  1.00  0.00           C  
HETATM    8  F   UNL     1       4.099   0.141   2.039  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.875  -2.419   0.654  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.212  -2.435   0.329  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.691  -3.352  -0.597  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.852  -4.242  -1.194  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.317  -1.291   1.087  1.00  0.00           S  
HETATM   14  O   UNL     1      -5.612  -1.872   1.010  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.712  -0.902   2.313  1.00  0.00           O  
HETATM   16  N   UNL     1      -4.353   0.062   0.133  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.334   0.168  -0.950  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.563   0.931  -0.453  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.532   1.151  -1.617  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.258   0.120   0.643  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.405   1.153   0.373  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.192   0.984  -0.544  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.600   1.130  -1.906  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.147   2.050  -0.207  1.00  0.00           C  
HETATM   25  N   UNL     1       0.062   1.816  -1.001  1.00  0.00           N  
HETATM   26  C   UNL     1       1.255   2.261  -0.559  1.00  0.00           C  
HETATM   27  O   UNL     1       1.328   2.855   0.496  1.00  0.00           O  
HETATM   28  N   UNL     1       4.122   0.383  -0.827  1.00  0.00           N  
HETATM   29  C   UNL     1       2.803   0.513  -1.465  1.00  0.00           C  
HETATM   30  C   UNL     1       4.532   1.595  -0.429  1.00  0.00           C  
HETATM   31  O   UNL     1       5.594   1.785   0.131  1.00  0.00           O  
HETATM   32  O   UNL     1       3.666   2.577  -0.704  1.00  0.00           O  
HETATM   33  C   UNL     1       2.499   2.021  -1.376  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.709   3.436  -0.531  1.00  0.00           C  
HETATM   35  C   UNL     1       0.246   4.939  -0.957  1.00  0.00           C  
HETATM   36  C   UNL     1       1.145   5.907  -0.549  1.00  0.00           C  
HETATM   37  C   UNL     1       1.067   6.428   0.729  1.00  0.00           C  
HETATM   38  C   UNL     1       0.090   5.981   1.600  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.808   5.012   1.192  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.730   4.491  -0.086  1.00  0.00           C  
HETATM   41  C   UNL     1       6.231  -3.175  -0.326  1.00  0.00           C  
HETATM   42  C   UNL     1       5.352  -2.750   0.653  1.00  0.00           C  
HETATM   43  C   UNL     1       4.652  -1.571   0.490  1.00  0.00           C  
HETATM   44  C   UNL     1       4.831  -0.812  -0.659  1.00  0.00           C  
HETATM   45  C   UNL     1       5.714  -1.242  -1.641  1.00  0.00           C  
HETATM   46  C   UNL     1       6.411  -2.421  -1.472  1.00  0.00           C  
HETATM   47  C   UNL     1       3.694  -1.109   1.558  1.00  0.00           C  
HETATM   48  H   UNL     1       1.555  -5.419  -1.205  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.503  -1.705   1.375  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.742  -3.359  -0.846  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.242  -4.948  -1.913  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.890   0.702  -1.791  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.631  -0.831  -1.271  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.254   1.896  -0.051  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.841   0.186  -2.019  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.408   1.694  -1.262  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.037   1.728  -2.398  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.567  -0.844   0.241  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.567  -0.036   1.472  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.133   0.664   0.997  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.889   2.107   0.164  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.081   1.130   1.413  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.761  -0.006  -0.398  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.993   1.990  -2.108  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.901   1.996   0.853  1.00  0.00           H  
HETATM   66  H   UNL     1       0.004   1.341  -1.845  1.00  0.00           H  
HETATM   67  H   UNL     1       2.847   0.192  -2.506  1.00  0.00           H  
HETATM   68  H   UNL     1       2.055  -0.062  -0.918  1.00  0.00           H  
HETATM   69  H   UNL     1       2.389   2.448  -2.372  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.872   3.520  -1.605  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.656   3.575  -0.008  1.00  0.00           H  
HETATM   72  H   UNL     1       0.304   4.535  -1.957  1.00  0.00           H  
HETATM   73  H   UNL     1       1.908   6.256  -1.229  1.00  0.00           H  
HETATM   74  H   UNL     1       1.769   7.183   1.048  1.00  0.00           H  
HETATM   75  H   UNL     1       0.030   6.387   2.598  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.571   4.662   1.872  1.00  0.00           H  
HETATM   77  H   UNL     1       6.780  -4.095  -0.195  1.00  0.00           H  
HETATM   78  H   UNL     1       5.214  -3.341   1.546  1.00  0.00           H  
HETATM   79  H   UNL     1       5.855  -0.654  -2.536  1.00  0.00           H  
HETATM   80  H   UNL     1       7.098  -2.756  -2.235  1.00  0.00           H  
CONECT    1    3    3    4   48                                       
CONECT    2   47                                                      
CONECT    3    1    1    5                                            
CONECT    4    1    7                                                 
CONECT    5    3    7    7   12                                       
CONECT    6   47                                                      
CONECT    7    4    5    5    9                                       
CONECT    8   47                                                      
CONECT    9    7   10   10   49                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   50                                       
CONECT   12    5   11   11   51                                       
CONECT   13   10   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18   52   53                                       
CONECT   18   17   19   20   54                                       
CONECT   19   18   55   56   57                                       
CONECT   20   18   58   59   60                                       
CONECT   21   16   22   61   62                                       
CONECT   22   21   23   24   63                                       
CONECT   23   22   64                                                 
CONECT   24   22   25   34   65                                       
CONECT   25   24   26   66                                            
CONECT   26   25   27   27   33                                       
CONECT   27   26   26                                                 
CONECT   28   29   30   44                                            
CONECT   29   28   33   67   68                                       
CONECT   30   28   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33                                                 
CONECT   33   26   29   32   69                                       
CONECT   34   24   40   70   71                                       
CONECT   35   36   36   40   72                                       
CONECT   36   35   35   37   73                                       
CONECT   37   36   38   38   74                                       
CONECT   38   37   37   39   75                                       
CONECT   39   38   40   40   76                                       
CONECT   40   34   35   39   39                                       
CONECT   41   42   42   46   77                                       
CONECT   42   41   41   43   78                                       
CONECT   43   42   44   44   47                                       
CONECT   44   28   43   43   45                                       
CONECT   45   44   46   46   79                                       
CONECT   46   41   45   45   80                                       
CONECT   47    2    6    8   43                                       
CONECT   48    1                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
