COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.133   0.175  -1.019  1.00  0.00           C  
HETATM    2  O   UNL     1       5.197  -0.347   0.077  1.00  0.00           O  
HETATM    3  N   UNL     1       6.216   0.194  -1.821  1.00  0.00           N  
HETATM    4  C   UNL     1       7.442  -0.294  -1.353  1.00  0.00           C  
HETATM    5  C   UNL     1       7.474  -1.383  -0.492  1.00  0.00           C  
HETATM    6  C   UNL     1       8.685  -1.862  -0.032  1.00  0.00           C  
HETATM    7  C   UNL     1       9.864  -1.259  -0.429  1.00  0.00           C  
HETATM    8  C   UNL     1      11.184  -1.786   0.074  1.00  0.00           C  
HETATM    9  C   UNL     1       9.836  -0.175  -1.286  1.00  0.00           C  
HETATM   10  C   UNL     1       8.628   0.306  -1.754  1.00  0.00           C  
HETATM   11  C   UNL     1       1.552   0.795  -1.408  1.00  0.00           C  
HETATM   12  N   UNL     1       3.977   0.730  -1.435  1.00  0.00           N  
HETATM   13  O   UNL     1       1.640   0.875  -2.615  1.00  0.00           O  
HETATM   14  F   UNL     1       7.541   2.639   1.479  1.00  0.00           F  
HETATM   15  F   UNL     1       4.823   0.263   4.547  1.00  0.00           F  
HETATM   16  C   UNL     1       2.798   0.703  -0.566  1.00  0.00           C  
HETATM   17  C   UNL     1       2.849   1.889   0.400  1.00  0.00           C  
HETATM   18  C   UNL     1       4.029   1.733   1.324  1.00  0.00           C  
HETATM   19  C   UNL     1       6.196   1.446   3.022  1.00  0.00           C  
HETATM   20  C   UNL     1       5.257   2.263   0.973  1.00  0.00           C  
HETATM   21  C   UNL     1       3.882   1.065   2.526  1.00  0.00           C  
HETATM   22  C   UNL     1       6.341   2.120   1.822  1.00  0.00           C  
HETATM   23  C   UNL     1       4.966   0.921   3.376  1.00  0.00           C  
HETATM   24  N   UNL     1       0.339   0.789  -0.819  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.873   0.878  -1.638  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.994   1.454  -0.813  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.265   0.963   0.262  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.262  -0.518  -2.125  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.576  -1.364  -0.989  1.00  0.00           O  
HETATM   30  N   UNL     1      -2.696   2.510  -1.260  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.901   3.063  -0.628  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.697   1.956  -0.013  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.168   0.871   0.104  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.699   3.787  -1.729  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.642   4.135  -2.796  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.399   3.295  -2.465  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.208  -0.289   0.875  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.957   2.089   0.415  1.00  0.00           N  
HETATM   39  O   UNL     1      -6.387  -0.603  -0.283  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.514   1.105   1.356  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.024   1.312   1.459  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.573   3.782   1.120  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.804   3.191  -0.055  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.318   2.733   1.926  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.724  -1.192   1.785  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.353  -2.507   1.211  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.874  -2.490   0.917  1.00  0.00           C  
HETATM   48  O   UNL     1      -3.205  -1.529   1.234  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.134  -2.745  -0.083  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.577  -2.690  -1.191  1.00  0.00           C  
HETATM   51  N   UNL     1      -3.295  -3.539   0.305  1.00  0.00           N  
HETATM   52  O   UNL     1      -1.330  -3.130  -2.289  1.00  0.00           O  
HETATM   53  C   UNL     1      -1.882  -3.633  -0.061  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.599  -5.077  -0.490  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.983  -4.765  -0.101  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.839  -6.769   0.901  1.00  0.00           C  
HETATM   57  C   UNL     1      -2.917  -5.848  -0.318  1.00  0.00           C  
HETATM   58  H   UNL     1       6.147   0.547  -2.722  1.00  0.00           H  
HETATM   59  H   UNL     1       6.553  -1.854  -0.182  1.00  0.00           H  
HETATM   60  H   UNL     1       8.710  -2.709   0.637  1.00  0.00           H  
HETATM   61  H   UNL     1      11.556  -2.548  -0.610  1.00  0.00           H  
HETATM   62  H   UNL     1      11.902  -0.968   0.133  1.00  0.00           H  
HETATM   63  H   UNL     1      11.048  -2.221   1.064  1.00  0.00           H  
HETATM   64  H   UNL     1      10.759   0.294  -1.594  1.00  0.00           H  
HETATM   65  H   UNL     1       8.607   1.153  -2.423  1.00  0.00           H  
HETATM   66  H   UNL     1       3.926   1.147  -2.309  1.00  0.00           H  
HETATM   67  H   UNL     1       2.786  -0.227   0.002  1.00  0.00           H  
HETATM   68  H   UNL     1       2.951   2.815  -0.166  1.00  0.00           H  
HETATM   69  H   UNL     1       1.931   1.921   0.986  1.00  0.00           H  
HETATM   70  H   UNL     1       7.042   1.334   3.685  1.00  0.00           H  
HETATM   71  H   UNL     1       5.370   2.788   0.036  1.00  0.00           H  
HETATM   72  H   UNL     1       2.922   0.655   2.801  1.00  0.00           H  
HETATM   73  H   UNL     1       0.269   0.725   0.146  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.684   1.522  -2.496  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.135  -0.445  -2.774  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.432  -0.952  -2.682  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.615   3.789   0.136  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.459   3.126  -2.147  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.156   4.694  -1.335  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.013   3.879  -3.789  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.399   5.197  -2.750  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.549   3.951  -2.278  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.174   2.627  -3.296  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.058   1.256   2.337  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.479   1.151   0.482  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.440   0.602   2.174  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.871   4.296   1.776  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.292   4.508   0.740  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.179   3.963  -0.505  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.508   2.816  -0.798  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.388   2.918   1.840  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.030   2.825   2.974  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.631  -0.987   2.728  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.576  -3.297   1.927  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.665  -2.192  -0.897  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.132  -3.809  -0.318  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.161  -2.403   0.045  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.265  -3.382   0.803  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.284  -5.102  -1.533  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.825  -5.511   0.144  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.674  -5.078   0.681  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.528  -4.594  -1.030  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.657  -6.174   1.796  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.780  -7.308   1.010  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.026  -7.482   0.767  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.139  -6.425  -1.215  1.00  0.00           H  
CONECT    1    3    2    2   12                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   58                                            
CONECT    4    5    5   10    3                                       
CONECT    5    6    4    4   59                                       
CONECT    6    7    7    5   60                                       
CONECT    7    8    6    6    9                                       
CONECT    8    7   61   62   63                                       
CONECT    9    7   10   10   64                                       
CONECT   10    9    9    4   65                                       
CONECT   11   13   13   16   24                                       
CONECT   12   16   66    1                                            
CONECT   13   11   11                                                 
CONECT   14   22                                                      
CONECT   15   23                                                      
CONECT   16   11   12   17   67                                       
CONECT   17   16   18   68   69                                       
CONECT   18   17   20   20   21                                       
CONECT   19   22   22   23   70                                       
CONECT   20   18   18   22   71                                       
CONECT   21   18   23   23   72                                       
CONECT   22   14   19   19   20                                       
CONECT   23   15   19   21   21                                       
CONECT   24   25   73   11                                            
CONECT   25   24   26   28   74                                       
CONECT   26   25   27   27   30                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   75   76                                       
CONECT   29   28   50                                                 
CONECT   30   31   36   26                                            
CONECT   31   30   32   34   77                                       
CONECT   32   31   33   33   38                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   78   79                                       
CONECT   35   34   36   80   81                                       
CONECT   36   30   35   82   83                                       
CONECT   37   39   39   40   45                                       
CONECT   38   40   43   32                                            
CONECT   39   37   37                                                 
CONECT   40   37   38   41   84                                       
CONECT   41   40   44   85   86                                       
CONECT   42   43   44   87   88                                       
CONECT   43   38   42   89   90                                       
CONECT   44   41   42   91   92                                       
CONECT   45   46   93   37                                            
CONECT   46   45   47   49   94                                       
CONECT   47   46   48   48   51                                       
CONECT   48   47   47                                                 
CONECT   49   46   95   96   97                                       
CONECT   50   52   52   53   29                                       
CONECT   51   53   55   47                                            
CONECT   52   50   50                                                 
CONECT   53   50   51   54   98                                       
CONECT   54   53   57   99  100                                       
CONECT   55   51   57  101  102                                       
CONECT   56   57  103  104  105                                       
CONECT   57   54   55   56  106                                       
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   54                                                      
CONECT  101   55                                                      
CONECT  102   55                                                      
CONECT  103   56                                                      
CONECT  104   56                                                      
CONECT  105   56                                                      
CONECT  106   57                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
