COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.327  -1.530   0.832  1.00  0.00           O  
HETATM    2  C   UNL     1       8.284  -0.682  -0.541  1.00  0.00           C  
HETATM    3  O   UNL     1       3.496  -4.726   0.115  1.00  0.00           O  
HETATM    4  C   UNL     1       9.437  -1.245   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      11.750   2.843  -0.201  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.612   2.022  -0.655  1.00  0.00           N  
HETATM    7  C   UNL     1      10.567   0.765  -0.101  1.00  0.00           C  
HETATM    8  C   UNL     1       9.428   1.401  -0.655  1.00  0.00           C  
HETATM    9  C   UNL     1       9.482   2.768  -0.973  1.00  0.00           C  
HETATM   10  C   UNL     1      10.628   3.466  -0.746  1.00  0.00           C  
HETATM   11  C   UNL     1       4.687  -4.926  -0.018  1.00  0.00           C  
HETATM   12  O   UNL     1       5.137  -6.169  -0.272  1.00  0.00           O  
HETATM   13  C   UNL     1       4.143  -7.222  -0.373  1.00  0.00           C  
HETATM   14  N   UNL     1       5.557  -3.902   0.088  1.00  0.00           N  
HETATM   15  C   UNL     1       5.068  -2.550   0.364  1.00  0.00           C  
HETATM   16  C   UNL     1       6.256  -1.605   0.549  1.00  0.00           C  
HETATM   17  C   UNL     1       7.057  -1.532  -0.753  1.00  0.00           C  
HETATM   18  C   UNL     1       8.263   0.643  -0.874  1.00  0.00           C  
HETATM   19  N   UNL     1      10.521  -0.535   0.203  1.00  0.00           N  
HETATM   20  C   UNL     1      11.732   1.521   0.119  1.00  0.00           C  
HETATM   21  C   UNL     1       5.754  -0.229   0.907  1.00  0.00           C  
HETATM   22  C   UNL     1       4.920   0.449   0.039  1.00  0.00           C  
HETATM   23  C   UNL     1       4.459   1.710   0.367  1.00  0.00           C  
HETATM   24  C   UNL     1       4.832   2.294   1.564  1.00  0.00           C  
HETATM   25  C   UNL     1       5.666   1.618   2.433  1.00  0.00           C  
HETATM   26  C   UNL     1       6.124   0.352   2.108  1.00  0.00           C  
HETATM   27  F   UNL     1       6.939  -0.311   2.957  1.00  0.00           F  
HETATM   28  C   UNL     1       3.549   2.450  -0.580  1.00  0.00           C  
HETATM   29  C   UNL     1       2.092   2.112  -0.257  1.00  0.00           C  
HETATM   30  C   UNL     1       1.169   2.862  -1.218  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.288   2.525  -0.895  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.211   3.275  -1.856  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.646   2.942  -1.537  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.347   3.713  -0.628  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.662   3.411  -0.334  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.280   2.331  -0.951  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.573   1.559  -1.864  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.260   1.870  -2.159  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.022   0.738  -0.657  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.218  -0.155  -0.816  1.00  0.00           O  
HETATM   41  C   UNL     1      -8.481   0.413  -0.462  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.874   0.685   0.992  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.339   0.299   1.204  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.732   0.571   2.658  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.547   2.058   2.966  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.082   2.444   2.753  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.688   2.172   1.300  1.00  0.00           C  
HETATM   48  N   UNL     1      -8.712  -1.000  -0.774  1.00  0.00           N  
HETATM   49  C   UNL     1      -9.647  -1.319  -1.846  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.420  -2.745  -2.347  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.405  -3.693  -1.142  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.159  -3.391  -0.305  1.00  0.00           C  
HETATM   53  N   UNL     1      -8.254  -4.094   0.982  1.00  0.00           N  
HETATM   54  C   UNL     1      -8.050  -1.913  -0.063  1.00  0.00           C  
HETATM   55  H   UNL     1       9.439  -2.293   0.259  1.00  0.00           H  
HETATM   56  H   UNL     1      12.647   3.420  -0.031  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.240   2.731  -0.447  1.00  0.00           H  
HETATM   58  H   UNL     1       8.620   3.261  -1.396  1.00  0.00           H  
HETATM   59  H   UNL     1      10.669   4.518  -0.991  1.00  0.00           H  
HETATM   60  H   UNL     1       3.449  -6.991  -1.182  1.00  0.00           H  
HETATM   61  H   UNL     1       4.638  -8.171  -0.580  1.00  0.00           H  
HETATM   62  H   UNL     1       3.594  -7.295   0.566  1.00  0.00           H  
HETATM   63  H   UNL     1       6.508  -4.062  -0.019  1.00  0.00           H  
HETATM   64  H   UNL     1       4.457  -2.207  -0.471  1.00  0.00           H  
HETATM   65  H   UNL     1       4.466  -2.559   1.273  1.00  0.00           H  
HETATM   66  H   UNL     1       6.896  -1.977   1.349  1.00  0.00           H  
HETATM   67  H   UNL     1       6.440  -1.091  -1.535  1.00  0.00           H  
HETATM   68  H   UNL     1       7.359  -2.537  -1.050  1.00  0.00           H  
HETATM   69  H   UNL     1       7.377   1.095  -1.295  1.00  0.00           H  
HETATM   70  H   UNL     1      12.610   1.054   0.540  1.00  0.00           H  
HETATM   71  H   UNL     1       4.629  -0.005  -0.896  1.00  0.00           H  
HETATM   72  H   UNL     1       4.471   3.280   1.819  1.00  0.00           H  
HETATM   73  H   UNL     1       5.957   2.074   3.367  1.00  0.00           H  
HETATM   74  H   UNL     1       3.706   3.523  -0.472  1.00  0.00           H  
HETATM   75  H   UNL     1       3.772   2.152  -1.605  1.00  0.00           H  
HETATM   76  H   UNL     1       1.936   1.039  -0.365  1.00  0.00           H  
HETATM   77  H   UNL     1       1.870   2.410   0.768  1.00  0.00           H  
HETATM   78  H   UNL     1       1.326   3.935  -1.110  1.00  0.00           H  
HETATM   79  H   UNL     1       1.392   2.564  -2.243  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.445   1.451  -1.003  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.511   2.822   0.130  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.054   4.348  -1.748  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.988   2.977  -2.881  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.866   4.552  -0.148  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.209   4.013   0.377  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.051   0.719  -2.346  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.710   1.271  -2.869  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.083   1.034  -1.124  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.242   0.094   1.655  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.970   0.889   0.540  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.471  -0.761   0.984  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.776   0.296   2.809  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.101  -0.020   3.322  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.178   2.648   2.302  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.827   2.252   4.002  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.950   3.503   2.973  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.450   1.854   3.417  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.645   2.447   1.148  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.320   2.762   0.636  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.667  -1.225  -1.474  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.499  -0.622  -2.671  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.226  -3.027  -3.024  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.466  -2.802  -2.871  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.299  -3.534  -0.539  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.374  -4.726  -1.487  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.273  -3.734  -0.839  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.443  -3.912   1.554  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.103  -3.846   1.468  1.00  0.00           H  
CONECT    1   54   54                                                 
CONECT    2   17    4    4   18                                       
CONECT    3   11   11                                                 
CONECT    4    2    2   19   55                                       
CONECT    5   20   20   10   56                                       
CONECT    6   39   36   57                                            
CONECT    7   19   19    8   20                                       
CONECT    8   18   18    7    9                                       
CONECT    9    8   10   10   58                                       
CONECT   10    9    9    5   59                                       
CONECT   11   14   12    3    3                                       
CONECT   12   11   13                                                 
CONECT   13   12   60   61   62                                       
CONECT   14   15   11   63                                            
CONECT   15   16   14   64   65                                       
CONECT   16   21   17   15   66                                       
CONECT   17   16    2   67   68                                       
CONECT   18    2    8    8   69                                       
CONECT   19    4    7    7                                            
CONECT   20    7    5    5   70                                       
CONECT   21   26   26   22   16                                       
CONECT   22   23   23   21   71                                       
CONECT   23   24   28   22   22                                       
CONECT   24   25   25   23   72                                       
CONECT   25   24   24   26   73                                       
CONECT   26   25   27   21   21                                       
CONECT   27   26                                                      
CONECT   28   23   29   74   75                                       
CONECT   29   28   30   76   77                                       
CONECT   30   31   29   78   79                                       
CONECT   31   32   30   80   81                                       
CONECT   32   33   31   82   83                                       
CONECT   33   38   38   34   32                                       
CONECT   34   35   35   33   84                                       
CONECT   35   36   34   34   85                                       
CONECT   36    6   37   37   35                                       
CONECT   37   36   36   38   86                                       
CONECT   38   37   33   33   87                                       
CONECT   39   41   40   40    6                                       
CONECT   40   39   39                                                 
CONECT   41   48   42   39   88                                       
CONECT   42   43   41   47   89                                       
CONECT   43   44   42   90   91                                       
CONECT   44   43   45   92   93                                       
CONECT   45   44   46   94   95                                       
CONECT   46   45   47   96   97                                       
CONECT   47   42   46   98   99                                       
CONECT   48   49   54   41                                            
CONECT   49   50   48  100  101                                       
CONECT   50   51   49  102  103                                       
CONECT   51   50   52  104  105                                       
CONECT   52   51   53   54  106                                       
CONECT   53   52  107  108                                            
CONECT   54   52   48    1    1                                       
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   51                                                      
CONECT  106   52                                                      
CONECT  107   53                                                      
CONECT  108   53                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
