COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.568   2.291   1.380  1.00  0.00           O  
HETATM    2  C   UNL     1       7.268   2.347   1.972  1.00  0.00           C  
HETATM    3  C   UNL     1       6.635   0.951   1.932  1.00  0.00           C  
HETATM    4  N   UNL     1       6.703   0.450   0.551  1.00  0.00           N  
HETATM    5  C   UNL     1       8.001   0.501  -0.140  1.00  0.00           C  
HETATM    6  C   UNL     1       8.568   1.919   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       5.609  -0.043  -0.064  1.00  0.00           C  
HETATM    8  O   UNL     1       5.704  -0.536  -1.171  1.00  0.00           O  
HETATM    9  N   UNL     1       4.410   0.012   0.550  1.00  0.00           N  
HETATM   10  C   UNL     1       3.206  -0.433  -0.156  1.00  0.00           C  
HETATM   11  C   UNL     1       2.000   0.261   0.422  1.00  0.00           C  
HETATM   12  O   UNL     1       2.133   1.050   1.333  1.00  0.00           O  
HETATM   13  C   UNL     1       3.050  -1.947   0.007  1.00  0.00           C  
HETATM   14  C   UNL     1       4.195  -2.647  -0.679  1.00  0.00           C  
HETATM   15  C   UNL     1       4.088  -3.006  -2.010  1.00  0.00           C  
HETATM   16  C   UNL     1       5.354  -2.924   0.021  1.00  0.00           C  
HETATM   17  C   UNL     1       5.139  -3.648  -2.638  1.00  0.00           C  
HETATM   18  C   UNL     1       6.404  -3.566  -0.608  1.00  0.00           C  
HETATM   19  C   UNL     1       6.296  -3.930  -1.937  1.00  0.00           C  
HETATM   20  N   UNL     1       0.773   0.005  -0.074  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.399   0.681   0.488  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.627  -0.159   0.244  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.532  -1.217  -0.341  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.573   2.045  -0.184  1.00  0.00           C  
HETATM   25  C   UNL     1       0.617   2.940   0.167  1.00  0.00           C  
HETATM   26  C   UNL     1       0.443   4.304  -0.504  1.00  0.00           C  
HETATM   27  C   UNL     1       1.633   5.200  -0.153  1.00  0.00           C  
HETATM   28  F   UNL     1      -3.767   2.154  -0.564  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.920   0.879  -2.069  1.00  0.00           F  
HETATM   30  N   UNL     1      -2.831   0.266   0.677  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.886   3.759  -1.285  1.00  0.00           N  
HETATM   32  O   UNL     1      -5.411   1.107   1.525  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.192   2.205  -0.390  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.038  -0.495   0.346  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.293  -1.543   1.431  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.470  -2.429   1.017  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.817  -3.383   2.162  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.087  -3.239  -0.223  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.994  -4.269   1.748  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.264  -4.125  -0.637  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.611  -5.079   0.508  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.234   0.456   0.266  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.979   1.505  -0.819  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.099   2.513  -0.816  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.975   4.739  -1.282  1.00  0.00           C  
HETATM   46  H   UNL     1       7.352   2.680   3.006  1.00  0.00           H  
HETATM   47  H   UNL     1       6.644   3.046   1.414  1.00  0.00           H  
HETATM   48  H   UNL     1       5.594   1.011   2.250  1.00  0.00           H  
HETATM   49  H   UNL     1       7.183   0.281   2.594  1.00  0.00           H  
HETATM   50  H   UNL     1       7.865   0.263  -1.195  1.00  0.00           H  
HETATM   51  H   UNL     1       8.687  -0.214   0.313  1.00  0.00           H  
HETATM   52  H   UNL     1       7.948   2.616  -0.565  1.00  0.00           H  
HETATM   53  H   UNL     1       9.587   1.943  -0.384  1.00  0.00           H  
HETATM   54  H   UNL     1       4.344   0.349   1.457  1.00  0.00           H  
HETATM   55  H   UNL     1       3.294  -0.189  -1.214  1.00  0.00           H  
HETATM   56  H   UNL     1       3.051  -2.200   1.067  1.00  0.00           H  
HETATM   57  H   UNL     1       2.109  -2.265  -0.442  1.00  0.00           H  
HETATM   58  H   UNL     1       3.184  -2.785  -2.558  1.00  0.00           H  
HETATM   59  H   UNL     1       5.439  -2.639   1.059  1.00  0.00           H  
HETATM   60  H   UNL     1       5.055  -3.929  -3.678  1.00  0.00           H  
HETATM   61  H   UNL     1       7.310  -3.782  -0.061  1.00  0.00           H  
HETATM   62  H   UNL     1       7.116  -4.432  -2.428  1.00  0.00           H  
HETATM   63  H   UNL     1       0.666  -0.626  -0.803  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.260   0.818   1.560  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.623   1.914  -1.265  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.494   2.509   0.169  1.00  0.00           H  
HETATM   67  H   UNL     1       0.667   3.071   1.248  1.00  0.00           H  
HETATM   68  H   UNL     1       1.538   2.476  -0.186  1.00  0.00           H  
HETATM   69  H   UNL     1       0.393   4.174  -1.585  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.478   4.768  -0.151  1.00  0.00           H  
HETATM   71  H   UNL     1       1.683   5.331   0.928  1.00  0.00           H  
HETATM   72  H   UNL     1       2.554   4.736  -0.506  1.00  0.00           H  
HETATM   73  H   UNL     1       1.509   6.172  -0.632  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.898   1.076   1.207  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.649   1.631   1.808  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.903  -0.991  -0.615  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.402  -2.158   1.558  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.527  -1.044   2.371  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.333  -1.804   0.791  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.954  -4.009   2.388  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.090  -2.806   3.046  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.840  -2.560  -1.039  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.224  -3.865   0.003  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.241  -4.949   2.564  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.858  -3.644   1.522  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.128  -3.500  -0.863  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.992  -4.702  -1.521  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.748  -5.704   0.734  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.450  -5.710   0.213  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.133  -0.110   0.020  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.801   4.367  -1.888  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.317   4.898  -0.259  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.617   5.681  -1.696  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.012   4.006  -1.626  1.00  0.00           H  
CONECT    1    6    2                                                 
CONECT    2    1    3   46   47                                       
CONECT    3    4   48   49    2                                       
CONECT    4    7    5    3                                            
CONECT    5    6    4   50   51                                       
CONECT    6    1    5   52   53                                       
CONECT    7    4    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   10   54    7                                            
CONECT   10    9   13   55   11                                       
CONECT   11   12   12   10   20                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   56   57                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   17   58                                       
CONECT   16   14   18   18   59                                       
CONECT   17   15   19   19   60                                       
CONECT   18   16   16   61   19                                       
CONECT   19   17   17   18   62                                       
CONECT   20   11   21   63                                            
CONECT   21   20   22   64   24                                       
CONECT   22   21   30   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   21   65   66   25                                       
CONECT   25   24   67   68   26                                       
CONECT   26   25   27   69   70                                       
CONECT   27   26   71   72   73                                       
CONECT   28   43                                                      
CONECT   29   43                                                      
CONECT   30   34   74   22                                            
CONECT   31   45   44   94                                            
CONECT   32   42   75                                                 
CONECT   33   44   44                                                 
CONECT   34   30   42   35   76                                       
CONECT   35   34   77   78   36                                       
CONECT   36   35   37   38   79                                       
CONECT   37   36   80   81   39                                       
CONECT   38   36   82   83   40                                       
CONECT   39   37   41   84   85                                       
CONECT   40   38   41   86   87                                       
CONECT   41   39   40   88   89                                       
CONECT   42   32   34   90   43                                       
CONECT   43   28   29   42   44                                       
CONECT   44   33   33   43   31                                       
CONECT   45   31   91   92   93                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   31                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
