COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.345   5.004  -0.270  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.485   4.268   0.177  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.388   2.825  -0.320  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.667   2.069   0.052  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.784   2.672  -0.604  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.536   0.610  -0.395  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.696  -0.119   0.011  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.264   2.186   0.290  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.065   0.833  -0.126  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.291  -0.002   0.253  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.119  -1.342  -0.214  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.377  -3.588   3.433  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.580  -4.547   2.394  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.693  -4.063   1.462  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.000  -5.148   0.426  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.478  -6.320   1.090  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.072  -4.633  -0.539  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.312  -5.610  -1.553  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.270  -2.873   0.793  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.250  -2.319  -0.087  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.580  -3.334  -1.185  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.602  -2.806  -2.033  1.00  0.00           O  
HETATM   23  O   UNL     1       0.440   4.552   1.295  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.759   3.889   1.700  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.066   2.750   0.726  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.414   2.119   1.086  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.450   3.093   0.945  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.686   0.942   0.144  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.907   0.301   0.520  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.040   1.759   0.812  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.217   0.657  -0.081  1.00  0.00           C  
HETATM   32  C   UNL     1       0.760  -0.020  -2.853  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.530  -0.058   0.247  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.737  -1.125  -0.680  1.00  0.00           O  
HETATM   35  O   UNL     1       9.289  -0.008   2.209  1.00  0.00           O  
HETATM   36  C   UNL     1       8.194  -0.116   1.441  1.00  0.00           C  
HETATM   37  O   UNL     1       7.160  -0.521   1.918  1.00  0.00           O  
HETATM   38  C   UNL     1       8.253   0.268  -0.012  1.00  0.00           C  
HETATM   39  C   UNL     1       8.800   1.686  -0.159  1.00  0.00           C  
HETATM   40  C   UNL     1       9.293  -0.665  -0.682  1.00  0.00           C  
HETATM   41  C   UNL     1       6.933   0.084  -0.725  1.00  0.00           C  
HETATM   42  C   UNL     1       6.321  -1.296  -0.495  1.00  0.00           C  
HETATM   43  C   UNL     1       5.281  -1.518  -1.606  1.00  0.00           C  
HETATM   44  C   UNL     1       4.194  -0.466  -1.499  1.00  0.00           C  
HETATM   45  C   UNL     1       3.226  -0.558  -2.706  1.00  0.00           C  
HETATM   46  C   UNL     1       1.870  -0.138  -2.166  1.00  0.00           C  
HETATM   47  C   UNL     1       3.260  -0.791  -0.312  1.00  0.00           C  
HETATM   48  C   UNL     1       2.043   0.108  -0.674  1.00  0.00           C  
HETATM   49  C   UNL     1       2.458   1.558  -0.427  1.00  0.00           C  
HETATM   50  C   UNL     1       3.621   1.982  -1.307  1.00  0.00           C  
HETATM   51  C   UNL     1       4.726   0.951  -1.446  1.00  0.00           C  
HETATM   52  C   UNL     1       5.891   1.171  -0.488  1.00  0.00           C  
HETATM   53  C   UNL     1       5.397   1.211   0.954  1.00  0.00           C  
HETATM   54  C   UNL     1       6.535   2.530  -0.816  1.00  0.00           C  
HETATM   55  C   UNL     1       7.746   2.753   0.087  1.00  0.00           C  
HETATM   56  O   UNL     1       0.873  -0.256   0.068  1.00  0.00           O  
HETATM   57  H   UNL     1      -5.340   5.930   0.009  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.519   4.277   1.266  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.391   4.728  -0.219  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.265   2.820  -1.403  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.813   2.109   1.131  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.630   2.243  -0.413  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.441   0.568  -1.480  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.681  -1.053  -0.240  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.925   0.803  -1.207  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.409  -0.005   1.337  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.347  -1.791   0.157  1.00  0.00           H  
HETATM   68  H   UNL     1       0.261  -3.864   4.104  1.00  0.00           H  
HETATM   69  H   UNL     1       0.343  -4.667   1.826  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.863  -5.504   2.832  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.589  -3.853   2.046  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.093  -5.387  -0.130  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.692  -7.050   0.493  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.994  -4.440   0.010  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.981  -5.350  -2.200  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.154  -2.086   0.476  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.685  -3.537  -1.774  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.358  -1.981  -2.476  1.00  0.00           H  
HETATM   79  H   UNL     1       0.696   5.287   1.869  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.628   3.483   2.703  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.585   4.599   1.700  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.109   3.142  -0.290  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.386   1.764   2.116  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.339   3.870   1.510  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.765   1.306  -0.880  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.248   1.022  -1.107  1.00  0.00           H  
HETATM   87  H   UNL     1       0.774  -0.135  -3.927  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.170   0.192  -2.345  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.484  -0.458   1.260  1.00  0.00           H  
HETATM   90  H   UNL     1       9.203  -0.266   3.137  1.00  0.00           H  
HETATM   91  H   UNL     1       9.622   1.818   0.556  1.00  0.00           H  
HETATM   92  H   UNL     1       9.217   1.805  -1.162  1.00  0.00           H  
HETATM   93  H   UNL     1       8.977  -1.702  -0.569  1.00  0.00           H  
HETATM   94  H   UNL     1       9.370  -0.423  -1.742  1.00  0.00           H  
HETATM   95  H   UNL     1      10.264  -0.527  -0.206  1.00  0.00           H  
HETATM   96  H   UNL     1       7.163   0.124  -1.820  1.00  0.00           H  
HETATM   97  H   UNL     1       7.078  -2.073  -0.571  1.00  0.00           H  
HETATM   98  H   UNL     1       5.829  -1.356   0.470  1.00  0.00           H  
HETATM   99  H   UNL     1       5.767  -1.440  -2.578  1.00  0.00           H  
HETATM  100  H   UNL     1       4.841  -2.508  -1.498  1.00  0.00           H  
HETATM  101  H   UNL     1       3.551   0.123  -3.488  1.00  0.00           H  
HETATM  102  H   UNL     1       3.196  -1.584  -3.067  1.00  0.00           H  
HETATM  103  H   UNL     1       2.973  -1.853  -0.336  1.00  0.00           H  
HETATM  104  H   UNL     1       3.675  -0.550   0.654  1.00  0.00           H  
HETATM  105  H   UNL     1       1.597   2.212  -0.643  1.00  0.00           H  
HETATM  106  H   UNL     1       2.715   1.692   0.624  1.00  0.00           H  
HETATM  107  H   UNL     1       3.235   2.206  -2.312  1.00  0.00           H  
HETATM  108  H   UNL     1       4.044   2.910  -0.912  1.00  0.00           H  
HETATM  109  H   UNL     1       5.166   1.138  -2.460  1.00  0.00           H  
HETATM  110  H   UNL     1       6.212   1.519   1.609  1.00  0.00           H  
HETATM  111  H   UNL     1       4.576   1.923   1.037  1.00  0.00           H  
HETATM  112  H   UNL     1       5.049   0.221   1.247  1.00  0.00           H  
HETATM  113  H   UNL     1       6.852   2.523  -1.861  1.00  0.00           H  
HETATM  114  H   UNL     1       5.808   3.321  -0.653  1.00  0.00           H  
HETATM  115  H   UNL     1       7.458   2.776   1.136  1.00  0.00           H  
HETATM  116  H   UNL     1       8.178   3.737  -0.153  1.00  0.00           H  
CONECT    1    2   57                                                 
CONECT    2    3    1   58   59                                       
CONECT    3    4    8    2   60                                       
CONECT    4    6    5    3   61                                       
CONECT    5    4   62                                                 
CONECT    6    7   10    4   63                                       
CONECT    7    6   64                                                 
CONECT    8    9    3                                                 
CONECT    9   10   29    8   65                                       
CONECT   10   11    6    9   66                                       
CONECT   11   10   67                                                 
CONECT   12   13   68                                                 
CONECT   13   12   14   69   70                                       
CONECT   14   13   19   15   71                                       
CONECT   15   14   16   17   72                                       
CONECT   16   15   73                                                 
CONECT   17   15   21   18   74                                       
CONECT   18   17   75                                                 
CONECT   19   14   20                                                 
CONECT   20   19   34   21   76                                       
CONECT   21   20   17   22   77                                       
CONECT   22   21   78                                                 
CONECT   23   24   79                                                 
CONECT   24   23   25   80   81                                       
CONECT   25   30   24   26   82                                       
CONECT   26   25   28   27   83                                       
CONECT   27   26   84                                                 
CONECT   28   33   26   29   85                                       
CONECT   29   28    9                                                 
CONECT   30   31   25                                                 
CONECT   31   56   30   33   86                                       
CONECT   32   46   46   87   88                                       
CONECT   33   31   34   28   89                                       
CONECT   34   20   33                                                 
CONECT   35   36   90                                                 
CONECT   36   38   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   39   40   36   41                                       
CONECT   39   55   38   91   92                                       
CONECT   40   38   93   94   95                                       
CONECT   41   38   52   42   96                                       
CONECT   42   41   43   97   98                                       
CONECT   43   42   44   99  100                                       
CONECT   44   51   43   45   47                                       
CONECT   45   44   46  101  102                                       
CONECT   46   45   48   32   32                                       
CONECT   47   44   48  103  104                                       
CONECT   48   49   46   47   56                                       
CONECT   49   50   48  105  106                                       
CONECT   50   51   49  107  108                                       
CONECT   51   52   50   44  109                                       
CONECT   52   54   41   51   53                                       
CONECT   53   52  110  111  112                                       
CONECT   54   55   52  113  114                                       
CONECT   55   39   54  115  116                                       
CONECT   56   48   31                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   35                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   51                                                      
CONECT  110   53                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   54                                                      
CONECT  114   54                                                      
CONECT  115   55                                                      
CONECT  116   55                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
