COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.321   0.123  -0.771  1.00  0.00           C  
HETATM    2  O   UNL     1       5.348  -0.350   0.346  1.00  0.00           O  
HETATM    3  C   UNL     1       6.562   0.106  -1.626  1.00  0.00           C  
HETATM    4  C   UNL     1       7.705  -0.557  -0.854  1.00  0.00           C  
HETATM    5  C   UNL     1       8.965  -0.574  -1.721  1.00  0.00           C  
HETATM    6  C   UNL     1      10.107  -1.238  -0.949  1.00  0.00           C  
HETATM    7  C   UNL     1      11.367  -1.255  -1.817  1.00  0.00           C  
HETATM    8  C   UNL     1      12.509  -1.918  -1.045  1.00  0.00           C  
HETATM    9  C   UNL     1       1.755   0.722  -1.308  1.00  0.00           C  
HETATM   10  N   UNL     1       4.181   0.658  -1.250  1.00  0.00           N  
HETATM   11  O   UNL     1       1.885   0.748  -2.514  1.00  0.00           O  
HETATM   12  F   UNL     1       7.644   2.697   1.696  1.00  0.00           F  
HETATM   13  F   UNL     1       4.822   0.456   4.772  1.00  0.00           F  
HETATM   14  C   UNL     1       2.973   0.669  -0.421  1.00  0.00           C  
HETATM   15  C   UNL     1       2.992   1.895   0.493  1.00  0.00           C  
HETATM   16  C   UNL     1       4.139   1.781   1.463  1.00  0.00           C  
HETATM   17  C   UNL     1       6.247   1.572   3.244  1.00  0.00           C  
HETATM   18  C   UNL     1       5.378   2.297   1.130  1.00  0.00           C  
HETATM   19  C   UNL     1       3.951   1.167   2.686  1.00  0.00           C  
HETATM   20  C   UNL     1       6.433   2.193   2.021  1.00  0.00           C  
HETATM   21  C   UNL     1       5.005   1.062   3.578  1.00  0.00           C  
HETATM   22  N   UNL     1       0.524   0.740  -0.762  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.660   0.792  -1.624  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.808   1.403  -0.865  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.116   0.959   0.221  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.033  -0.624  -2.062  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.385  -1.420  -0.902  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.493   2.437  -1.381  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.720   3.016  -0.816  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.536   1.937  -0.180  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.012   0.859   0.003  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.479   3.691  -1.974  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.386   3.993  -3.018  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.156   3.169  -2.608  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.078  -0.268   0.754  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.810   2.088   0.199  1.00  0.00           N  
HETATM   37  O   UNL     1      -6.217  -0.632  -0.394  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.399   1.146   1.163  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.912   1.356   1.205  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.448   3.808   0.773  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.640   3.168  -0.348  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.220   2.796   1.599  1.00  0.00           C  
HETATM   43  N   UNL     1      -5.625  -1.130   1.719  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.236  -2.468   1.217  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.748  -2.463   0.973  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.089  -1.488   1.270  1.00  0.00           O  
HETATM   47  C   UNL     1      -5.972  -2.763  -0.091  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.380  -2.754  -1.045  1.00  0.00           C  
HETATM   49  N   UNL     1      -3.149  -3.537   0.427  1.00  0.00           N  
HETATM   50  O   UNL     1      -1.097  -3.241  -2.114  1.00  0.00           O  
HETATM   51  C   UNL     1      -1.724  -3.646   0.115  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.427  -5.107  -0.241  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.823  -4.781   0.053  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.716  -6.738   1.181  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.751  -5.871  -0.079  1.00  0.00           C  
HETATM   56  H   UNL     1       6.367  -0.455  -2.539  1.00  0.00           H  
HETATM   57  H   UNL     1       6.842   1.129  -1.880  1.00  0.00           H  
HETATM   58  H   UNL     1       7.900   0.004   0.060  1.00  0.00           H  
HETATM   59  H   UNL     1       7.425  -1.580  -0.599  1.00  0.00           H  
HETATM   60  H   UNL     1       8.769  -1.136  -2.635  1.00  0.00           H  
HETATM   61  H   UNL     1       9.244   0.448  -1.976  1.00  0.00           H  
HETATM   62  H   UNL     1      10.302  -0.676  -0.036  1.00  0.00           H  
HETATM   63  H   UNL     1       9.827  -2.260  -0.694  1.00  0.00           H  
HETATM   64  H   UNL     1      11.171  -1.816  -2.730  1.00  0.00           H  
HETATM   65  H   UNL     1      11.646  -0.232  -2.072  1.00  0.00           H  
HETATM   66  H   UNL     1      12.229  -2.941  -0.790  1.00  0.00           H  
HETATM   67  H   UNL     1      13.407  -1.930  -1.663  1.00  0.00           H  
HETATM   68  H   UNL     1      12.704  -1.357  -0.131  1.00  0.00           H  
HETATM   69  H   UNL     1       4.160   1.036  -2.143  1.00  0.00           H  
HETATM   70  H   UNL     1       2.940  -0.236   0.186  1.00  0.00           H  
HETATM   71  H   UNL     1       3.113   2.796  -0.110  1.00  0.00           H  
HETATM   72  H   UNL     1       2.054   1.952   1.045  1.00  0.00           H  
HETATM   73  H   UNL     1       7.070   1.490   3.939  1.00  0.00           H  
HETATM   74  H   UNL     1       5.523   2.780   0.176  1.00  0.00           H  
HETATM   75  H   UNL     1       2.981   0.769   2.947  1.00  0.00           H  
HETATM   76  H   UNL     1       0.420   0.719   0.203  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.442   1.398  -2.503  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.883  -0.581  -2.743  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.185  -1.082  -2.571  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.459   3.776  -0.075  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.225   3.012  -2.387  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.949   4.614  -1.635  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.723   3.693  -4.011  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.144   5.055  -3.011  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.312   3.834  -2.422  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.902   2.465  -3.401  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.977   1.340   2.151  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.333   1.151   0.221  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.352   0.678   1.936  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.769   4.352   1.430  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.153   4.516   0.337  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.000   3.919  -0.809  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.319   2.760  -1.097  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.288   2.975   1.469  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.969   2.934   2.651  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.565  -0.883   2.655  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.484  -3.226   1.959  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.476  -2.246  -0.912  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.963  -3.837  -0.279  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.003  -2.418  -0.014  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.137  -3.357   0.987  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.077  -5.178  -1.270  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.676  -5.512   0.438  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.541  -5.059   0.824  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.336  -4.651  -0.900  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.563  -6.103   2.054  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.660  -7.272   1.281  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.898  -7.455   1.106  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.943  -6.487  -0.958  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   56   57                                       
CONECT    4    3    5   58   59                                       
CONECT    5    4    6   60   61                                       
CONECT    6    5    7   62   63                                       
CONECT    7    6    8   64   65                                       
CONECT    8    7   66   67   68                                       
CONECT    9   11   11   14   22                                       
CONECT   10   14   69    1                                            
CONECT   11    9    9                                                 
CONECT   12   20                                                      
CONECT   13   21                                                      
CONECT   14    9   10   15   70                                       
CONECT   15   14   16   71   72                                       
CONECT   16   15   18   18   19                                       
CONECT   17   20   20   21   73                                       
CONECT   18   16   16   20   74                                       
CONECT   19   16   21   21   75                                       
CONECT   20   12   17   17   18                                       
CONECT   21   13   17   19   19                                       
CONECT   22   23   76    9                                            
CONECT   23   22   24   26   77                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   78   79                                       
CONECT   27   26   48                                                 
CONECT   28   29   34   24                                            
CONECT   29   28   30   32   80                                       
CONECT   30   29   31   31   36                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   81   82                                       
CONECT   33   32   34   83   84                                       
CONECT   34   28   33   85   86                                       
CONECT   35   37   37   38   43                                       
CONECT   36   38   41   30                                            
CONECT   37   35   35                                                 
CONECT   38   35   36   39   87                                       
CONECT   39   38   42   88   89                                       
CONECT   40   41   42   90   91                                       
CONECT   41   36   40   92   93                                       
CONECT   42   39   40   94   95                                       
CONECT   43   44   96   35                                            
CONECT   44   43   45   47   97                                       
CONECT   45   44   46   46   49                                       
CONECT   46   45   45                                                 
CONECT   47   44   98   99  100                                       
CONECT   48   50   50   51   27                                       
CONECT   49   51   53   45                                            
CONECT   50   48   48                                                 
CONECT   51   48   49   52  101                                       
CONECT   52   51   55  102  103                                       
CONECT   53   49   55  104  105                                       
CONECT   54   55  106  107  108                                       
CONECT   55   52   53   54  109                                       
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69   10                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   29                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   54                                                      
CONECT  109   55                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
