COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.772   4.927   4.687  1.00  0.00           N  
HETATM    2  C   UNL     1       6.355   5.080   3.376  1.00  0.00           C  
HETATM    3  O   UNL     1       4.468   1.334  -0.753  1.00  0.00           O  
HETATM    4  C   UNL     1       5.789   6.445   1.603  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.624  -4.648   2.096  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.678  -4.036   1.210  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.868  -2.925   0.176  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.444  -1.684   0.861  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.634  -0.572  -0.173  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.342  -5.877   1.459  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.198  -6.518   0.638  1.00  0.00           C  
HETATM   12  C   UNL     1       5.735   1.655  -2.766  1.00  0.00           C  
HETATM   13  C   UNL     1       6.285   2.546  -1.626  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.210   0.669   0.512  1.00  0.00           C  
HETATM   15  C   UNL     1       5.675   4.178   1.246  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.399   1.780  -0.523  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.976   3.021   0.162  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.165   4.133  -0.872  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.741   5.373  -0.187  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.931   6.485  -1.221  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.507   7.726  -0.536  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.696   8.837  -1.571  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.273  10.078  -0.886  1.00  0.00           C  
HETATM   24  C   UNL     1       5.800   2.015   1.655  1.00  0.00           C  
HETATM   25  C   UNL     1       6.096   3.959   2.568  1.00  0.00           C  
HETATM   26  C   UNL     1       5.065   2.646  -0.675  1.00  0.00           C  
HETATM   27  C   UNL     1       4.537   0.923  -2.129  1.00  0.00           C  
HETATM   28  C   UNL     1       4.749  -0.590  -2.210  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.856  -5.661   0.319  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.341  -5.302   0.232  1.00  0.00           C  
HETATM   31  N   UNL     1       6.186   6.290   2.853  1.00  0.00           N  
HETATM   32  N   UNL     1       5.539   5.426   0.809  1.00  0.00           N  
HETATM   33  N   UNL     1       5.500   2.934   0.694  1.00  0.00           N  
HETATM   34  N   UNL     1       6.152   2.618   2.753  1.00  0.00           N  
HETATM   35  O   UNL     1       3.585  -1.261  -1.724  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.268  -5.245   0.550  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.441  -7.422   1.445  1.00  0.00           O  
HETATM   38  O   UNL     1       5.303   2.459  -3.865  1.00  0.00           O  
HETATM   39  O   UNL     1       6.654   3.835  -2.119  1.00  0.00           O  
HETATM   40  O   UNL     1       3.479  -3.461  -3.159  1.00  0.00           O  
HETATM   41  O   UNL     1       4.593  -3.421  -0.894  1.00  0.00           O  
HETATM   42  O   UNL     1       2.075  -3.267  -0.945  1.00  0.00           O  
HETATM   43  O   UNL     1       1.981  -5.789  -0.986  1.00  0.00           O  
HETATM   44  O   UNL     1       2.122  -4.675   1.275  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.073  -4.570  -0.168  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.637  -4.240   1.142  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.665  -3.654   2.147  1.00  0.00           O  
HETATM   48  P   UNL     1       3.458  -2.865  -1.664  1.00  0.00           P  
HETATM   49  P   UNL     1       1.536  -4.601  -0.223  1.00  0.00           P  
HETATM   50  H   UNL     1       6.944   5.708   5.235  1.00  0.00           H  
HETATM   51  H   UNL     1       6.888   4.038   5.058  1.00  0.00           H  
HETATM   52  H   UNL     1       5.663   7.447   1.219  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.195  -4.871   3.073  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.617  -4.207   1.737  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.906  -2.678  -0.273  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.555  -3.264  -0.600  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.406  -1.930   1.310  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.757  -1.345   1.637  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.672  -0.326  -0.622  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.320  -0.911  -0.949  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.801  -6.553   2.180  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.592  -7.023  -0.244  1.00  0.00           H  
HETATM   63  H   UNL     1       6.492   0.941  -3.091  1.00  0.00           H  
HETATM   64  H   UNL     1       7.128   2.066  -1.129  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.172   0.422   0.961  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.523   1.007   1.287  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.437   2.026  -0.972  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.086   1.441  -1.298  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.938   2.774   0.611  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.289   3.360   0.938  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.203   4.379  -1.321  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.852   3.794  -1.648  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.703   5.127   0.262  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.054   5.712   0.589  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.969   6.732  -1.670  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.618   6.146  -1.997  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.469   7.479  -0.087  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.820   8.065   0.239  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.734   9.084  -2.020  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.383   8.499  -2.346  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.235   9.832  -0.437  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.586  10.417  -0.110  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.408  10.870  -1.623  1.00  0.00           H  
HETATM   84  H   UNL     1       5.756   0.944   1.523  1.00  0.00           H  
HETATM   85  H   UNL     1       4.367   3.407  -1.025  1.00  0.00           H  
HETATM   86  H   UNL     1       3.618   1.198  -2.645  1.00  0.00           H  
HETATM   87  H   UNL     1       4.928  -0.877  -3.246  1.00  0.00           H  
HETATM   88  H   UNL     1       5.610  -0.869  -1.602  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.592  -5.863   1.357  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.661  -6.547  -0.284  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.588  -4.998  -0.785  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.711  -7.851   0.978  1.00  0.00           H  
HETATM   93  H   UNL     1       6.006   2.986  -4.267  1.00  0.00           H  
HETATM   94  H   UNL     1       7.354   3.815  -2.786  1.00  0.00           H  
HETATM   95  H   UNL     1       2.761  -3.139  -3.721  1.00  0.00           H  
HETATM   96  H   UNL     1       1.870  -3.927   1.833  1.00  0.00           H  
CONECT    1    2   50   51                                            
CONECT    2   25    1   31   31                                       
CONECT    3   27   26                                                 
CONECT    4   32   32   31   52                                       
CONECT    5   47   46   10   53                                       
CONECT    6    7   47   36   54                                       
CONECT    7    8    6   55   56                                       
CONECT    8    9    7   57   58                                       
CONECT    9   14    8   59   60                                       
CONECT   10   36    5   11   61                                       
CONECT   11   10   30   37   62                                       
CONECT   12   27   13   38   63                                       
CONECT   13   12   39   26   64                                       
CONECT   14    9   16   65   66                                       
CONECT   15   33   25   25   32                                       
CONECT   16   14   17   67   68                                       
CONECT   17   16   18   69   70                                       
CONECT   18   19   17   71   72                                       
CONECT   19   18   20   73   74                                       
CONECT   20   19   21   75   76                                       
CONECT   21   20   22   77   78                                       
CONECT   22   21   23   79   80                                       
CONECT   23   22   81   82   83                                       
CONECT   24   34   34   33   84                                       
CONECT   25   34   15   15    2                                       
CONECT   26   13    3   33   85                                       
CONECT   27   28   12    3   86                                       
CONECT   28   35   27   87   88                                       
CONECT   29   30   45   89   90                                       
CONECT   30   46   11   29   91                                       
CONECT   31    2    2    4                                            
CONECT   32   15    4    4                                            
CONECT   33   24   26   15                                            
CONECT   34   24   24   25                                            
CONECT   35   48   28                                                 
CONECT   36    6   10                                                 
CONECT   37   11   92                                                 
CONECT   38   12   93                                                 
CONECT   39   13   94                                                 
CONECT   40   48   95                                                 
CONECT   41   48   48                                                 
CONECT   42   49   48                                                 
CONECT   43   49   49                                                 
CONECT   44   49   96                                                 
CONECT   45   29   49                                                 
CONECT   46    5   30                                                 
CONECT   47    6    5                                                 
CONECT   48   41   41   40   42                                       
CONECT   48   35                                                      
CONECT   49   45   43   43   42                                       
CONECT   49   44                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   44                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
