COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.755   0.647   1.806  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.941   1.560   2.124  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.623   2.394   3.367  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.590  -0.158  -0.084  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.405  -1.071  -0.402  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.565  -3.688  -0.317  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.732   0.008  -0.456  1.00  0.00           C  
HETATM    8  C   UNL     1       1.581  -0.249   0.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.193   2.332   2.788  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.379   3.245   3.106  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.511   1.498   1.545  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.325   0.584   1.228  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.672  -1.816  -1.711  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.505  -2.551  -2.087  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.009  -3.638  -2.775  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.843  -2.782  -1.518  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.041  -2.038  -1.287  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.190  -0.265  -0.538  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.982  -0.822  -0.316  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.902  -1.991  -0.004  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.635   0.546  -1.885  1.00  0.00           C  
HETATM   22  C   UNL     1       0.548   1.474  -1.993  1.00  0.00           C  
HETATM   23  C   UNL     1       0.391   2.823  -1.737  1.00  0.00           C  
HETATM   24  C   UNL     1       1.473   3.677  -1.835  1.00  0.00           C  
HETATM   25  C   UNL     1       2.718   3.178  -2.190  1.00  0.00           C  
HETATM   26  O   UNL     1       3.784   4.015  -2.287  1.00  0.00           O  
HETATM   27  C   UNL     1       5.035   3.432  -2.658  1.00  0.00           C  
HETATM   28  C   UNL     1       2.873   1.823  -2.447  1.00  0.00           C  
HETATM   29  C   UNL     1       1.788   0.974  -2.343  1.00  0.00           C  
HETATM   30  N   UNL     1       0.440  -0.822  -0.166  1.00  0.00           N  
HETATM   31  O   UNL     1       1.637   0.954   0.413  1.00  0.00           O  
HETATM   32  C   UNL     1       2.786  -1.102   0.565  1.00  0.00           C  
HETATM   33  C   UNL     1       2.439  -2.108   1.665  1.00  0.00           C  
HETATM   34  N   UNL     1       3.889  -0.249   1.014  1.00  0.00           N  
HETATM   35  C   UNL     1       5.164  -0.660   0.862  1.00  0.00           C  
HETATM   36  O   UNL     1       5.398  -1.735   0.353  1.00  0.00           O  
HETATM   37  C   UNL     1       6.298   0.218   1.324  1.00  0.00           C  
HETATM   38  N   UNL     1       7.577  -0.450   1.049  1.00  0.00           N  
HETATM   39  C   UNL     1       7.726  -1.662   1.867  1.00  0.00           C  
HETATM   40  C   UNL     1       9.042  -2.357   1.506  1.00  0.00           C  
HETATM   41  O   UNL     1      10.125  -1.442   1.692  1.00  0.00           O  
HETATM   42  C   UNL     1      10.013  -0.250   0.909  1.00  0.00           C  
HETATM   43  C   UNL     1       8.707   0.466   1.264  1.00  0.00           C  
HETATM   44  H   UNL     1      -7.571  -0.017   2.651  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.981   0.053   0.921  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.125   2.223   1.279  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.827   0.954   2.310  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.468   3.045   3.593  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.439   1.731   4.212  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.719   0.564  -0.890  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.495  -0.758   0.015  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.274  -1.791   0.406  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.446  -3.078   0.578  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.399  -4.376  -0.180  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.651  -4.255  -0.494  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.770   0.842   0.244  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.307   2.938   2.602  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.009   1.668   3.633  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.563   3.908   2.261  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.153   3.839   3.991  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.695   2.161   0.700  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.196  -0.138   2.034  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.420   1.184   1.129  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.917  -1.099  -2.494  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.722  -2.001  -2.226  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.900  -4.259  -2.677  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.113  -2.990  -3.646  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.134  -4.276  -2.899  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.279  -1.441  -2.009  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.253   0.671  -0.787  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.508  -0.286  -2.579  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.547   1.089  -2.132  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.578   3.211  -1.460  1.00  0.00           H  
HETATM   74  H   UNL     1       1.350   4.731  -1.635  1.00  0.00           H  
HETATM   75  H   UNL     1       5.800   4.208  -2.698  1.00  0.00           H  
HETATM   76  H   UNL     1       5.319   2.681  -1.921  1.00  0.00           H  
HETATM   77  H   UNL     1       4.941   2.963  -3.638  1.00  0.00           H  
HETATM   78  H   UNL     1       3.841   1.433  -2.724  1.00  0.00           H  
HETATM   79  H   UNL     1       1.909  -0.082  -2.538  1.00  0.00           H  
HETATM   80  H   UNL     1       0.394  -1.783  -0.283  1.00  0.00           H  
HETATM   81  H   UNL     1       3.085  -1.638  -0.336  1.00  0.00           H  
HETATM   82  H   UNL     1       1.618  -2.743   1.330  1.00  0.00           H  
HETATM   83  H   UNL     1       3.311  -2.725   1.881  1.00  0.00           H  
HETATM   84  H   UNL     1       2.140  -1.572   2.566  1.00  0.00           H  
HETATM   85  H   UNL     1       3.702   0.612   1.421  1.00  0.00           H  
HETATM   86  H   UNL     1       6.262   1.169   0.792  1.00  0.00           H  
HETATM   87  H   UNL     1       6.206   0.398   2.395  1.00  0.00           H  
HETATM   88  H   UNL     1       7.736  -1.389   2.922  1.00  0.00           H  
HETATM   89  H   UNL     1       6.892  -2.337   1.673  1.00  0.00           H  
HETATM   90  H   UNL     1       9.183  -3.225   2.150  1.00  0.00           H  
HETATM   91  H   UNL     1       9.010  -2.678   0.465  1.00  0.00           H  
HETATM   92  H   UNL     1      10.857   0.406   1.122  1.00  0.00           H  
HETATM   93  H   UNL     1      10.010  -0.509  -0.149  1.00  0.00           H  
HETATM   94  H   UNL     1       8.590   1.345   0.630  1.00  0.00           H  
HETATM   95  H   UNL     1       8.733   0.773   2.310  1.00  0.00           H  
CONECT    1   11    2   44   45                                       
CONECT    2    3    1   46   47                                       
CONECT    3   10    2   48   49                                       
CONECT    4   12    5   50   51                                       
CONECT    5   18    4   13   52                                       
CONECT    6   16   53   54   55                                       
CONECT    7   30   21   19   56                                       
CONECT    8   32   31   31   30                                       
CONECT    9   10   11   57   58                                       
CONECT   10    9    3   59   60                                       
CONECT   11    9   12    1   61                                       
CONECT   12   11    4   62   63                                       
CONECT   13    5   16   14   64                                       
CONECT   14   13   65                                                 
CONECT   15   16   66   67   68                                       
CONECT   16    6   17   13   15                                       
CONECT   17   16   69                                                 
CONECT   18   19    5   70                                            
CONECT   19    7   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22    7   71   72                                       
CONECT   22   23   21   29   29                                       
CONECT   23   24   24   22   73                                       
CONECT   24   23   23   25   74                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27                                                 
CONECT   27   26   75   76   77                                       
CONECT   28   25   25   29   78                                       
CONECT   29   22   22   28   79                                       
CONECT   30    8    7   80                                            
CONECT   31    8    8                                                 
CONECT   32   34   33    8   81                                       
CONECT   33   32   82   83   84                                       
CONECT   34   35   32   85                                            
CONECT   35   37   36   36   34                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   86   87                                       
CONECT   38   37   39   43                                            
CONECT   39   38   40   88   89                                       
CONECT   40   39   41   90   91                                       
CONECT   41   42   40                                                 
CONECT   42   43   41   92   93                                       
CONECT   43   38   42   94   95                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
