COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.724  -0.855  -1.670  1.00  0.00           C  
HETATM    2  C   UNL     1       5.277  -2.421   0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       4.182  -1.732   0.838  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.194   2.076   1.196  1.00  0.00           C  
HETATM    5  C   UNL     1       4.258  -0.372   1.039  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.029   1.854   0.487  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.678   2.696  -0.551  1.00  0.00           C  
HETATM    8  C   UNL     1       7.455   1.701   0.257  1.00  0.00           C  
HETATM    9  C   UNL     1       1.716  -3.491  -1.140  1.00  0.00           C  
HETATM   10  C   UNL     1       2.693  -3.082  -2.244  1.00  0.00           C  
HETATM   11  C   UNL     1       2.825  -4.223  -3.256  1.00  0.00           C  
HETATM   12  C   UNL     1       2.169  -1.831  -2.951  1.00  0.00           C  
HETATM   13  C   UNL     1       0.800  -1.311  -0.220  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.584  -1.686   0.313  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.562  -0.541   0.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.987  -0.367  -0.126  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.338  -0.072  -0.413  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.800   0.495  -0.136  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.445  -1.290   1.193  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.907  -1.374   1.089  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.505   0.012   0.548  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.140   0.691   0.846  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.015   3.141   0.863  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.494   3.766  -0.881  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.664   3.987  -0.176  1.00  0.00           C  
HETATM   26  C   UNL     1       5.432   0.316   0.740  1.00  0.00           C  
HETATM   27  C   UNL     1       9.744   2.269  -0.458  1.00  0.00           C  
HETATM   28  C   UNL     1       9.688   2.238  -1.987  1.00  0.00           C  
HETATM   29  C   UNL     1      10.796   3.283  -0.006  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.945  -0.170  -2.298  1.00  0.00           C  
HETATM   31  C   UNL     1       6.542  -0.366   0.234  1.00  0.00           C  
HETATM   32  C   UNL     1       6.441  -1.759   0.036  1.00  0.00           C  
HETATM   33  F   UNL     1      -5.156   3.356   1.552  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.150   4.589  -1.895  1.00  0.00           F  
HETATM   35  N   UNL     1       1.699  -2.461  -0.098  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.912  -0.947   0.443  1.00  0.00           N  
HETATM   37  N   UNL     1       7.593   0.446  -0.002  1.00  0.00           N  
HETATM   38  N   UNL     1       8.433   2.656   0.071  1.00  0.00           N  
HETATM   39  O   UNL     1       3.044  -3.971   1.316  1.00  0.00           O  
HETATM   40  O   UNL     1       2.070  -1.877   2.271  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.505  -1.923   1.720  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.837   0.493  -0.972  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.227  -0.739   0.243  1.00  0.00           O  
HETATM   44  O   UNL     1      -9.826   0.037   0.785  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.017  -0.210  -1.359  1.00  0.00           O  
HETATM   46  S   UNL     1       2.695  -2.598   1.218  1.00  0.00           S  
HETATM   47  S   UNL     1       5.843   2.023   0.881  1.00  0.00           S  
HETATM   48  H   UNL     1      -5.895  -0.849  -2.377  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.974  -1.882  -1.402  1.00  0.00           H  
HETATM   50  H   UNL     1       5.214  -3.488   0.184  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.467   1.417   2.006  1.00  0.00           H  
HETATM   52  H   UNL     1       3.405   0.163   1.430  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.767   2.521  -1.104  1.00  0.00           H  
HETATM   54  H   UNL     1       0.717  -3.599  -1.560  1.00  0.00           H  
HETATM   55  H   UNL     1       2.033  -4.440  -0.707  1.00  0.00           H  
HETATM   56  H   UNL     1       3.669  -2.871  -1.806  1.00  0.00           H  
HETATM   57  H   UNL     1       3.520  -3.932  -4.043  1.00  0.00           H  
HETATM   58  H   UNL     1       3.198  -5.114  -2.752  1.00  0.00           H  
HETATM   59  H   UNL     1       1.849  -4.434  -3.693  1.00  0.00           H  
HETATM   60  H   UNL     1       2.203  -0.985  -2.265  1.00  0.00           H  
HETATM   61  H   UNL     1       2.790  -1.618  -3.821  1.00  0.00           H  
HETATM   62  H   UNL     1       1.141  -1.998  -3.272  1.00  0.00           H  
HETATM   63  H   UNL     1       0.720  -1.022  -1.268  1.00  0.00           H  
HETATM   64  H   UNL     1       1.198  -0.476   0.358  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.934  -2.589  -0.189  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.556  -0.301  -1.021  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.034   0.935  -0.697  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.816   1.577  -0.269  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.902  -2.027   0.532  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.757  -1.470   2.221  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.464  -1.546   2.070  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.611  -2.159   0.393  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.255   0.676   1.376  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.105   0.939   0.612  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.232   0.479   1.911  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.301   4.820  -0.432  1.00  0.00           H  
HETATM   77  H   UNL     1      10.008   1.280  -0.084  1.00  0.00           H  
HETATM   78  H   UNL     1      10.663   1.949  -2.380  1.00  0.00           H  
HETATM   79  H   UNL     1       8.939   1.515  -2.309  1.00  0.00           H  
HETATM   80  H   UNL     1       9.423   3.227  -2.361  1.00  0.00           H  
HETATM   81  H   UNL     1      10.531   4.272  -0.380  1.00  0.00           H  
HETATM   82  H   UNL     1      10.835   3.305   1.083  1.00  0.00           H  
HETATM   83  H   UNL     1      11.771   2.995  -0.399  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.703   0.866  -2.534  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.232  -0.696  -3.208  1.00  0.00           H  
HETATM   86  H   UNL     1       7.286  -2.309  -0.350  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.031  -1.633   1.119  1.00  0.00           H  
HETATM   88  H   UNL     1       8.253   3.584   0.289  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.258  -1.144   2.237  1.00  0.00           H  
CONECT    1   30   17   48   49                                       
CONECT    2    3   32   32   50                                       
CONECT    3   46    5    5    2                                       
CONECT    4   23   23    6   51                                       
CONECT    5    3    3   26   52                                       
CONECT    6    7    7    4   22                                       
CONECT    7   24    6    6   53                                       
CONECT    8   47   37   37   38                                       
CONECT    9   10   35   54   55                                       
CONECT   10   11   12    9   56                                       
CONECT   11   10   57   58   59                                       
CONECT   12   10   60   61   62                                       
CONECT   13   14   35   63   64                                       
CONECT   14   15   41   13   65                                       
CONECT   15   36   14   22   66                                       
CONECT   16   43   42   42   36                                       
CONECT   17   21    1   43   67                                       
CONECT   18   45   21   44   68                                       
CONECT   19   44   20   69   70                                       
CONECT   20   21   19   71   72                                       
CONECT   21   18   20   17   73                                       
CONECT   22   15    6   74   75                                       
CONECT   23   25   33    4    4                                       
CONECT   24   34   25   25    7                                       
CONECT   25   24   24   23   76                                       
CONECT   26    5   31   31   47                                       
CONECT   27   38   29   28   77                                       
CONECT   28   27   78   79   80                                       
CONECT   29   27   81   82   83                                       
CONECT   30   45    1   84   85                                       
CONECT   31   26   26   32   37                                       
CONECT   32    2    2   31   86                                       
CONECT   33   23                                                      
CONECT   34   24                                                      
CONECT   35   13    9   46                                            
CONECT   36   16   15   87                                            
CONECT   37   31    8    8                                            
CONECT   38    8   27   88                                            
CONECT   39   46   46                                                 
CONECT   40   46   46                                                 
CONECT   41   14   89                                                 
CONECT   42   16   16                                                 
CONECT   43   17   16                                                 
CONECT   44   18   19                                                 
CONECT   45   18   30                                                 
CONECT   46   35   40   40   39                                       
CONECT   46   39    3                                                 
CONECT   47   26    8                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   36                                                      
CONECT   88   38                                                      
CONECT   89   41                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
