COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.775  -0.658  -0.304  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.316   0.749  -1.329  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.246   0.035  -1.668  1.00  0.00           C  
HETATM    4  N   UNL     1       2.795  -2.831  -0.948  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.966  -0.673  -1.156  1.00  0.00           N  
HETATM    6  C   UNL     1     -11.003   0.308  -2.263  1.00  0.00           C  
HETATM    7  N   UNL     1       2.674   3.360  -0.015  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.541   0.733  -2.205  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.220  -0.100  -1.431  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.759   0.325  -1.373  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.050   0.050  -0.812  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.039   0.716   0.205  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.931  -1.694   0.811  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.071  -1.294   1.712  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.353  -1.732   1.440  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.401  -1.365   2.267  1.00  0.00           C  
HETATM   17  F   UNL     1      -7.655  -1.794   2.001  1.00  0.00           F  
HETATM   18  C   UNL     1      -6.165  -0.559   3.367  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.880  -0.121   3.639  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.647   0.661   4.716  1.00  0.00           F  
HETATM   21  C   UNL     1      -3.833  -0.493   2.813  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.560  -0.991  -1.132  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.679  -1.219  -2.317  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.343  -1.036  -0.555  1.00  0.00           N  
HETATM   25  C   UNL     1       0.838  -1.359  -1.360  1.00  0.00           C  
HETATM   26  C   UNL     1       1.350  -0.091  -2.042  1.00  0.00           C  
HETATM   27  O   UNL     1       1.509   0.966  -1.062  1.00  0.00           O  
HETATM   28  C   UNL     1       1.040   2.185  -1.371  1.00  0.00           C  
HETATM   29  O   UNL     1       0.453   2.367  -2.411  1.00  0.00           O  
HETATM   30  C   UNL     1       1.260   3.329  -0.412  1.00  0.00           C  
HETATM   31  C   UNL     1       0.950   4.665  -1.098  1.00  0.00           C  
HETATM   32  C   UNL     1       2.313   5.307  -1.403  1.00  0.00           C  
HETATM   33  C   UNL     1       2.433   6.654  -0.688  1.00  0.00           C  
HETATM   34  C   UNL     1       3.368   4.328  -0.866  1.00  0.00           C  
HETATM   35  C   UNL     1       3.212   2.620   0.966  1.00  0.00           C  
HETATM   36  O   UNL     1       2.487   1.902   1.628  1.00  0.00           O  
HETATM   37  C   UNL     1       4.683   2.649   1.276  1.00  0.00           C  
HETATM   38  C   UNL     1       4.957   3.658   2.395  1.00  0.00           C  
HETATM   39  N   UNL     1       5.080   1.296   1.724  1.00  0.00           N  
HETATM   40  C   UNL     1       5.786   0.515   0.870  1.00  0.00           C  
HETATM   41  O   UNL     1       6.123   0.943  -0.213  1.00  0.00           O  
HETATM   42  C   UNL     1       6.142  -0.889   1.293  1.00  0.00           C  
HETATM   43  C   UNL     1       7.655  -1.070   1.347  1.00  0.00           C  
HETATM   44  C   UNL     1       8.261  -1.016  -0.054  1.00  0.00           C  
HETATM   45  C   UNL     1       7.634  -2.108  -0.928  1.00  0.00           C  
HETATM   46  C   UNL     1       6.128  -1.840  -1.038  1.00  0.00           C  
HETATM   47  N   UNL     1       5.569  -1.833   0.317  1.00  0.00           N  
HETATM   48  C   UNL     1       4.585  -2.648   0.706  1.00  0.00           C  
HETATM   49  O   UNL     1       4.313  -2.632   1.899  1.00  0.00           O  
HETATM   50  C   UNL     1       3.764  -3.567  -0.135  1.00  0.00           C  
HETATM   51  C   UNL     1       4.589  -4.472  -1.046  1.00  0.00           C  
HETATM   52  C   UNL     1       4.130  -4.169  -2.481  1.00  0.00           C  
HETATM   53  C   UNL     1       2.935  -3.216  -2.353  1.00  0.00           C  
HETATM   54  C   UNL     1       1.904  -1.937  -0.469  1.00  0.00           C  
HETATM   55  O   UNL     1       1.962  -1.597   0.695  1.00  0.00           O  
HETATM   56  H   UNL     1      -2.655   0.333   0.135  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.306   1.340  -0.425  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.256  -0.557  -2.571  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.975  -1.205  -1.967  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.861  -0.406  -3.073  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.165   1.303  -2.680  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.703   1.727  -2.622  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.399   0.018  -3.016  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.106  -0.112  -2.065  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.058  -1.094  -1.014  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.362   0.615  -0.620  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.901   1.039  -0.562  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.597  -0.670  -0.956  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.140  -2.670   0.373  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.010  -1.745   1.392  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.538  -2.362   0.582  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.981  -0.272   4.013  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.830  -0.152   3.025  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.248  -0.853   0.393  1.00  0.00           H  
HETATM   75  H   UNL     1       0.563  -2.092  -2.120  1.00  0.00           H  
HETATM   76  H   UNL     1       2.313  -0.297  -2.512  1.00  0.00           H  
HETATM   77  H   UNL     1       0.637   0.219  -2.806  1.00  0.00           H  
HETATM   78  H   UNL     1       0.631   3.206   0.469  1.00  0.00           H  
HETATM   79  H   UNL     1       0.396   4.503  -2.020  1.00  0.00           H  
HETATM   80  H   UNL     1       0.379   5.306  -0.425  1.00  0.00           H  
HETATM   81  H   UNL     1       2.435   5.439  -2.477  1.00  0.00           H  
HETATM   82  H   UNL     1       3.417   7.081  -0.880  1.00  0.00           H  
HETATM   83  H   UNL     1       1.664   7.332  -1.058  1.00  0.00           H  
HETATM   84  H   UNL     1       2.304   6.509   0.385  1.00  0.00           H  
HETATM   85  H   UNL     1       4.112   4.872  -0.286  1.00  0.00           H  
HETATM   86  H   UNL     1       3.848   3.813  -1.698  1.00  0.00           H  
HETATM   87  H   UNL     1       5.245   2.925   0.385  1.00  0.00           H  
HETATM   88  H   UNL     1       4.406   3.366   3.289  1.00  0.00           H  
HETATM   89  H   UNL     1       6.024   3.675   2.616  1.00  0.00           H  
HETATM   90  H   UNL     1       4.635   4.649   2.077  1.00  0.00           H  
HETATM   91  H   UNL     1       4.840   0.975   2.608  1.00  0.00           H  
HETATM   92  H   UNL     1       5.711  -1.081   2.277  1.00  0.00           H  
HETATM   93  H   UNL     1       8.090  -0.276   1.958  1.00  0.00           H  
HETATM   94  H   UNL     1       7.887  -2.034   1.804  1.00  0.00           H  
HETATM   95  H   UNL     1       8.082  -0.039  -0.500  1.00  0.00           H  
HETATM   96  H   UNL     1       9.339  -1.185   0.013  1.00  0.00           H  
HETATM   97  H   UNL     1       8.082  -2.087  -1.921  1.00  0.00           H  
HETATM   98  H   UNL     1       7.798  -3.083  -0.471  1.00  0.00           H  
HETATM   99  H   UNL     1       5.971  -0.863  -1.502  1.00  0.00           H  
HETATM  100  H   UNL     1       5.660  -2.603  -1.646  1.00  0.00           H  
HETATM  101  H   UNL     1       3.180  -4.225   0.543  1.00  0.00           H  
HETATM  102  H   UNL     1       5.652  -4.275  -0.932  1.00  0.00           H  
HETATM  103  H   UNL     1       4.386  -5.521  -0.811  1.00  0.00           H  
HETATM  104  H   UNL     1       4.934  -3.693  -3.043  1.00  0.00           H  
HETATM  105  H   UNL     1       3.824  -5.090  -2.979  1.00  0.00           H  
HETATM  106  H   UNL     1       2.027  -3.721  -2.688  1.00  0.00           H  
HETATM  107  H   UNL     1       3.104  -2.329  -2.965  1.00  0.00           H  
CONECT    1    5   13   22   56                                       
CONECT    2    8    3    3   57                                       
CONECT    3    2    2   11   58                                       
CONECT    4   54   50   53                                            
CONECT    5   11    1   59                                            
CONECT    6    9   10   60   61                                       
CONECT    7   34   30   35                                            
CONECT    8   10    2   62   63                                       
CONECT    9    6   64   65   66                                       
CONECT   10    6    8   67   68                                       
CONECT   11    3   12   12    5                                       
CONECT   12   11   11                                                 
CONECT   13    1   14   69   70                                       
CONECT   14   21   13   15   15                                       
CONECT   15   14   14   16   71                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16                                                      
CONECT   18   19   16   16   72                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19                                                      
CONECT   21   19   19   14   73                                       
CONECT   22    1   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   74                                            
CONECT   25   26   24   54   75                                       
CONECT   26   27   25   76   77                                       
CONECT   27   28   26                                                 
CONECT   28   30   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   31    7   28   78                                       
CONECT   31   32   30   79   80                                       
CONECT   32   33   34   31   81                                       
CONECT   33   32   82   83   84                                       
CONECT   34   32    7   85   86                                       
CONECT   35    7   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   39   87                                       
CONECT   38   37   88   89   90                                       
CONECT   39   37   40   91                                            
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   47   43   92                                       
CONECT   43   42   44   93   94                                       
CONECT   44   43   45   95   96                                       
CONECT   45   46   44   97   98                                       
CONECT   46   47   45   99  100                                       
CONECT   47   42   48   46                                            
CONECT   48   50   47   49   49                                       
CONECT   49   48   48                                                 
CONECT   50    4   48   51  101                                       
CONECT   51   50   52  102  103                                       
CONECT   52   53   51  104  105                                       
CONECT   53    4   52  106  107                                       
CONECT   54   25   55   55    4                                       
CONECT   55   54   54                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   51                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   53                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
