COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.849  -2.976  -1.241  1.00  0.00           C  
HETATM    2  C   UNL     1       8.903  -3.981  -1.359  1.00  0.00           C  
HETATM    3  C   UNL     1       7.764  -3.952  -0.578  1.00  0.00           C  
HETATM    4  C   UNL     1       9.651  -1.943  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1       8.510  -1.916   0.439  1.00  0.00           C  
HETATM    6  C   UNL     1       7.567  -2.920   0.321  1.00  0.00           C  
HETATM    7  C   UNL     1       6.324  -2.888   1.172  1.00  0.00           C  
HETATM    8  C   UNL     1       5.265  -2.015   0.496  1.00  0.00           C  
HETATM    9  C   UNL     1       3.962  -2.083   1.295  1.00  0.00           C  
HETATM   10  C   UNL     1       2.904  -1.209   0.619  1.00  0.00           C  
HETATM   11  C   UNL     1       1.589  -1.110   1.409  1.00  0.00           C  
HETATM   12  C   UNL     1       1.090   0.302   1.581  1.00  0.00           C  
HETATM   13  C   UNL     1       1.309   0.971   2.770  1.00  0.00           C  
HETATM   14  C   UNL     1       0.853   2.266   2.930  1.00  0.00           C  
HETATM   15  C   UNL     1       0.420   0.928   0.546  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.037   2.223   0.700  1.00  0.00           C  
HETATM   17  C   UNL     1       0.176   2.894   1.895  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.963   4.751   0.943  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.499   6.128   1.344  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.183   6.773   0.134  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.182   6.852  -1.023  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.659   5.447  -1.332  1.00  0.00           C  
HETATM   23  C   UNL     1       0.371   5.525  -2.430  1.00  0.00           C  
HETATM   24  C   UNL     1       2.105  -1.934  -0.445  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.349  -2.247   0.046  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.660  -2.918  -1.131  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.951  -3.340  -1.364  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.947  -3.093  -0.417  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.631  -2.420   0.764  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.338  -2.000   0.992  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.289  -3.530  -0.657  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.390  -3.888  -0.854  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.770  -4.336  -1.100  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.658  -5.750  -0.362  1.00  0.00           C  
HETATM   35  F   UNL     1      10.966  -3.007  -2.000  1.00  0.00           F  
HETATM   36  N   UNL     1       0.963  -1.826   0.283  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.616  -3.959   0.035  1.00  0.00           N  
HETATM   38  O   UNL     1      -0.274   4.167   2.050  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.831   7.386  -2.179  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.622   8.089   0.478  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.444   5.983   2.405  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.062   4.893  -0.157  1.00  0.00           O  
HETATM   43  O   UNL     1       1.520   5.229  -2.202  1.00  0.00           O  
HETATM   44  O   UNL     1       0.011   5.923  -3.660  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.527  -3.254  -1.297  1.00  0.00           O  
HETATM   46  O   UNL     1      -9.741  -3.553   1.150  1.00  0.00           O  
HETATM   47  O   UNL     1       2.377  -2.419  -1.523  1.00  0.00           O  
HETATM   48  O   UNL     1       6.639  -2.347   2.456  1.00  0.00           O  
HETATM   49  S   UNL     1      -9.265  -3.996  -0.113  1.00  0.00           S  
HETATM   50  H   UNL     1       9.057  -4.788  -2.061  1.00  0.00           H  
HETATM   51  H   UNL     1       7.026  -4.735  -0.669  1.00  0.00           H  
HETATM   52  H   UNL     1      10.388  -1.159  -0.249  1.00  0.00           H  
HETATM   53  H   UNL     1       8.356  -1.110   1.141  1.00  0.00           H  
HETATM   54  H   UNL     1       5.938  -3.901   1.289  1.00  0.00           H  
HETATM   55  H   UNL     1       5.615  -0.983   0.459  1.00  0.00           H  
HETATM   56  H   UNL     1       5.089  -2.375  -0.518  1.00  0.00           H  
HETATM   57  H   UNL     1       3.612  -3.114   1.332  1.00  0.00           H  
HETATM   58  H   UNL     1       4.138  -1.722   2.308  1.00  0.00           H  
HETATM   59  H   UNL     1       3.294  -0.244   0.294  1.00  0.00           H  
HETATM   60  H   UNL     1       1.594  -1.674   2.341  1.00  0.00           H  
HETATM   61  H   UNL     1       1.836   0.482   3.576  1.00  0.00           H  
HETATM   62  H   UNL     1       1.023   2.788   3.860  1.00  0.00           H  
HETATM   63  H   UNL     1       0.254   0.405  -0.384  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.560   2.711  -0.108  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.794   4.108   0.652  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.673   6.758   1.673  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.039   6.168  -0.165  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.350   7.497  -0.741  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.486   4.814  -1.653  1.00  0.00           H  
HETATM   70  H   UNL     1       0.110  -3.108  -1.863  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.193  -3.860  -2.279  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.399  -2.227   1.498  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.092  -1.479   1.905  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.148  -3.866  -2.008  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.784  -5.420  -1.220  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.314  -6.325   0.498  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.736  -5.869  -0.470  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.160  -6.110  -1.262  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.211  -3.688   0.873  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.255   7.464  -2.952  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.254   8.114   1.210  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.079   5.576   3.203  1.00  0.00           H  
HETATM   83  H   UNL     1       0.706   5.957  -4.331  1.00  0.00           H  
HETATM   84  H   UNL     1       6.989  -1.446   2.428  1.00  0.00           H  
CONECT    1    2    2    4   35                                       
CONECT    2    1    1    3   50                                       
CONECT    3    2    6    6   51                                       
CONECT    4    1    5    5   52                                       
CONECT    5    4    4    6   53                                       
CONECT    6    3    3    5    7                                       
CONECT    7    6    8   48   54                                       
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   57   58                                       
CONECT   10    9   11   59   24                                       
CONECT   11   10   12   36   60                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   61                                       
CONECT   14   13   17   17   62                                       
CONECT   15   12   16   16   63                                       
CONECT   16   15   15   17   64                                       
CONECT   17   14   14   16   38                                       
CONECT   18   19   38   42   65                                       
CONECT   19   18   20   41   66                                       
CONECT   20   19   21   40   67                                       
CONECT   21   20   22   39   68                                       
CONECT   22   21   23   42   69                                       
CONECT   23   22   43   43   44                                       
CONECT   24   36   47   47   10                                       
CONECT   25   26   26   30   36                                       
CONECT   26   25   25   27   70                                       
CONECT   27   26   28   28   71                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   72                                       
CONECT   30   25   29   29   73                                       
CONECT   31   28   32   32   32                                       
CONECT   32   31   31   31   33                                       
CONECT   33   32   37   74   75                                       
CONECT   34   49   76   77   78                                       
CONECT   35    1                                                      
CONECT   36   11   24   25                                            
CONECT   37   33   49   79                                            
CONECT   38   17   18                                                 
CONECT   39   21   80                                                 
CONECT   40   20   81                                                 
CONECT   41   19   82                                                 
CONECT   42   18   22                                                 
CONECT   43   23   23                                                 
CONECT   44   23   83                                                 
CONECT   45   49   49                                                 
CONECT   46   49   49                                                 
CONECT   47   24   24                                                 
CONECT   48    7   84                                                 
CONECT   49   34   37   45   45                                       
CONECT   49   46   46                                                 
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   44                                                      
CONECT   84   48                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
