COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.350  -3.093   2.387  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.677  -3.162   1.629  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.787  -3.608   2.583  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.009  -1.801   1.074  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.042  -1.251   1.394  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.428   0.171  -0.233  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.315   0.626  -1.142  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.754   0.205  -0.995  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.159  -1.195   0.221  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.548   1.402  -2.045  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.511   1.104   0.977  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.185   1.071   1.739  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.715  -0.819  -2.131  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.061   0.171  -0.952  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.962   0.687  -1.772  1.00  0.00           C  
HETATM   16  C   UNL     1       0.052  -0.404  -1.997  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.068  -1.470  -1.430  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.296   1.861  -1.052  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.291   3.018  -0.934  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.624   4.192  -0.214  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.577   5.299  -0.101  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.202   6.464   0.511  1.00  0.00           C  
HETATM   23  N   UNL     1       0.029   6.591   1.004  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.068   7.471   0.614  1.00  0.00           N1+
HETATM   25  N   UNL     1       1.092  -0.197  -2.829  1.00  0.00           N  
HETATM   26  O   UNL     1       2.909  -2.972  -1.737  1.00  0.00           O  
HETATM   27  C   UNL     1       2.016  -1.292  -3.134  1.00  0.00           C  
HETATM   28  C   UNL     1       2.660  -1.792  -1.866  1.00  0.00           C  
HETATM   29  C   UNL     1       1.261  -2.442  -3.832  1.00  0.00           C  
HETATM   30  C   UNL     1       3.096  -0.812  -4.119  1.00  0.00           C  
HETATM   31  C   UNL     1       1.492  -2.187  -5.342  1.00  0.00           C  
HETATM   32  C   UNL     1       2.959  -1.686  -5.383  1.00  0.00           C  
HETATM   33  N   UNL     1       2.958  -0.928  -0.876  1.00  0.00           N  
HETATM   34  C   UNL     1       3.668  -1.398   0.317  1.00  0.00           C  
HETATM   35  C   UNL     1       4.469  -0.264   0.904  1.00  0.00           C  
HETATM   36  C   UNL     1       2.670  -1.887   1.335  1.00  0.00           C  
HETATM   37  C   UNL     1       1.485  -1.201   1.525  1.00  0.00           C  
HETATM   38  C   UNL     1       0.568  -1.649   2.458  1.00  0.00           C  
HETATM   39  C   UNL     1       0.838  -2.786   3.201  1.00  0.00           C  
HETATM   40  C   UNL     1       2.025  -3.472   3.009  1.00  0.00           C  
HETATM   41  C   UNL     1       2.937  -3.025   2.073  1.00  0.00           C  
HETATM   42  C   UNL     1       5.777  -0.474   1.297  1.00  0.00           C  
HETATM   43  C   UNL     1       6.513   0.565   1.836  1.00  0.00           C  
HETATM   44  C   UNL     1       5.939   1.816   1.981  1.00  0.00           C  
HETATM   45  C   UNL     1       4.628   2.026   1.587  1.00  0.00           C  
HETATM   46  C   UNL     1       3.896   0.987   1.044  1.00  0.00           C  
HETATM   47  F   UNL     1      -0.057  -3.225   4.113  1.00  0.00           F  
HETATM   48  F   UNL     1       6.657   2.832   2.507  1.00  0.00           F  
HETATM   49  H   UNL     1      -3.435  -2.377   3.205  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.109  -4.077   2.789  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.559  -2.775   1.708  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.591  -3.877   0.811  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.872  -2.893   3.401  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.732  -3.657   2.043  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.546  -4.592   2.985  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.570  -0.038  -0.315  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.911   1.201  -1.409  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.370  -1.664  -0.092  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.711   2.121   0.639  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.316   0.775   1.634  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.244   1.735   2.601  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.985   0.054   2.077  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.380   1.400   1.081  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.899  -0.576  -2.812  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.559  -1.816  -1.717  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.661  -0.796  -2.674  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.886  -0.498  -0.272  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.352   1.024  -2.732  1.00  0.00           H  
HETATM   69  H   UNL     1       0.016   1.547  -0.056  1.00  0.00           H  
HETATM   70  H   UNL     1       0.576   2.188  -1.619  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.602   3.332  -1.930  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.162   2.691  -0.367  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.313   3.878   0.783  1.00  0.00           H  
HETATM   74  H   UNL     1       0.247   4.519  -0.781  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.473   5.207  -0.460  1.00  0.00           H  
HETATM   76  H   UNL     1       0.659   5.858   0.930  1.00  0.00           H  
HETATM   77  H   UNL     1       0.294   7.417   1.438  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.964   7.378   0.255  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.803   8.297   1.048  1.00  0.00           H  
HETATM   80  H   UNL     1       1.229   0.678  -3.225  1.00  0.00           H  
HETATM   81  H   UNL     1       1.678  -3.405  -3.539  1.00  0.00           H  
HETATM   82  H   UNL     1       0.198  -2.398  -3.596  1.00  0.00           H  
HETATM   83  H   UNL     1       2.933   0.236  -4.371  1.00  0.00           H  
HETATM   84  H   UNL     1       4.086  -0.941  -3.681  1.00  0.00           H  
HETATM   85  H   UNL     1       1.383  -3.110  -5.911  1.00  0.00           H  
HETATM   86  H   UNL     1       0.812  -1.420  -5.713  1.00  0.00           H  
HETATM   87  H   UNL     1       3.135  -1.091  -6.279  1.00  0.00           H  
HETATM   88  H   UNL     1       3.651  -2.528  -5.341  1.00  0.00           H  
HETATM   89  H   UNL     1       2.704   0.005  -0.953  1.00  0.00           H  
HETATM   90  H   UNL     1       4.338  -2.213   0.044  1.00  0.00           H  
HETATM   91  H   UNL     1       1.275  -0.314   0.946  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.357  -1.113   2.607  1.00  0.00           H  
HETATM   93  H   UNL     1       2.236  -4.359   3.589  1.00  0.00           H  
HETATM   94  H   UNL     1       3.861  -3.563   1.920  1.00  0.00           H  
HETATM   95  H   UNL     1       6.225  -1.451   1.184  1.00  0.00           H  
HETATM   96  H   UNL     1       7.535   0.400   2.143  1.00  0.00           H  
HETATM   97  H   UNL     1       4.179   3.001   1.699  1.00  0.00           H  
HETATM   98  H   UNL     1       2.875   1.151   0.733  1.00  0.00           H  
CONECT    1    2   49   50   51                                       
CONECT    2    1    3    4   52                                       
CONECT    3    2   53   54   55                                       
CONECT    4    2    5    5    9                                       
CONECT    5    4    4                                                 
CONECT    6    8   11    9    7                                       
CONECT    7    6   10   10   14                                       
CONECT    8   13    6   56   57                                       
CONECT    9    6   58    4                                            
CONECT   10    7    7                                                 
CONECT   11   12    6   59   60                                       
CONECT   12   11   61   62   63                                       
CONECT   13    8   64   65   66                                       
CONECT   14   15   67    7                                            
CONECT   15   14   16   18   68                                       
CONECT   16   15   17   17   25                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   69   70                                       
CONECT   19   18   20   71   72                                       
CONECT   20   19   21   73   74                                       
CONECT   21   20   22   75                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   76   77                                            
CONECT   24   22   22   78   79                                       
CONECT   25   27   80   16                                            
CONECT   26   28   28                                                 
CONECT   27   25   28   29   30                                       
CONECT   28   26   26   27   33                                       
CONECT   29   27   31   81   82                                       
CONECT   30   27   32   83   84                                       
CONECT   31   29   32   85   86                                       
CONECT   32   30   31   87   88                                       
CONECT   33   34   89   28                                            
CONECT   34   33   36   35   90                                       
CONECT   35   34   46   46   42                                       
CONECT   36   34   37   37   41                                       
CONECT   37   36   36   38   91                                       
CONECT   38   37   39   39   92                                       
CONECT   39   38   38   40   47                                       
CONECT   40   41   41   39   93                                       
CONECT   41   36   40   40   94                                       
CONECT   42   35   43   43   95                                       
CONECT   43   42   42   44   96                                       
CONECT   44   45   45   43   48                                       
CONECT   45   46   44   44   97                                       
CONECT   46   35   35   45   98                                       
CONECT   47   39                                                      
CONECT   48   44                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
