COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.152  -4.883   0.823  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.189  -3.099  -0.778  1.00  0.00           C  
HETATM    3  C   UNL     1      10.034  -1.586  -0.723  1.00  0.00           C  
HETATM    4  C   UNL     1       8.092  -1.976   1.390  1.00  0.00           C  
HETATM    5  C   UNL     1       1.314   4.200   1.198  1.00  0.00           C  
HETATM    6  C   UNL     1       1.799   1.279  -0.080  1.00  0.00           C  
HETATM    7  C   UNL     1       2.658   1.550  -1.138  1.00  0.00           C  
HETATM    8  C   UNL     1       4.016  -0.324  -0.510  1.00  0.00           C  
HETATM    9  C   UNL     1       2.056   0.207   0.765  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.261   0.301  -0.232  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.019  -2.578  -0.218  1.00  0.00           C  
HETATM   12  C   UNL     1       8.880  -2.587  -0.818  1.00  0.00           C  
HETATM   13  N   UNL     1       0.679   2.089   0.137  1.00  0.00           N  
HETATM   14  C   UNL     1      10.438  -1.418   0.744  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.052  -1.224  -1.455  1.00  0.00           C  
HETATM   16  C   UNL     1       6.568  -2.965  -0.210  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.523   2.162  -1.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.904   0.802  -1.478  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.148  -0.481  -0.422  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.750   0.949  -0.439  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.986  -4.373   1.379  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.749  -4.245  -0.257  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.419  -3.227   0.865  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.313  -0.152  -2.423  1.00  0.00           O  
HETATM   25  N   UNL     1       7.741  -2.099  -0.031  1.00  0.00           N  
HETATM   26  C   UNL     1       5.303  -2.199   0.184  1.00  0.00           C  
HETATM   27  O   UNL     1       5.104  -1.111  -0.721  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.953  -0.108  -0.773  1.00  0.00           C  
HETATM   29  C   UNL     1       9.222  -0.957   1.551  1.00  0.00           C  
HETATM   30  C   UNL     1       0.570   2.874   1.370  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.707  -6.013   1.333  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.037   3.482  -0.882  1.00  0.00           O  
HETATM   33  C   UNL     1       3.763   0.750  -1.351  1.00  0.00           C  
HETATM   34  C   UNL     1       3.164  -0.588   0.553  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.416  -1.353  -0.772  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.506   0.228   1.142  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.731   0.611   1.643  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.722   1.070   0.785  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.484   1.145  -0.581  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.260   0.770  -1.091  1.00  0.00           C  
HETATM   41  O   UNL     1      -8.931   1.441   1.283  1.00  0.00           O  
HETATM   42  F   UNL     1       2.662   3.946   0.924  1.00  0.00           F  
HETATM   43  F   UNL     1       0.749   4.917   0.138  1.00  0.00           F  
HETATM   44  F   UNL     1       1.210   4.948   2.375  1.00  0.00           F  
HETATM   45  O   UNL     1       0.101   1.723  -2.198  1.00  0.00           O  
HETATM   46  H   UNL     1      -5.657  -2.600  -1.614  1.00  0.00           H  
HETATM   47  H   UNL     1      10.884  -1.955  -1.296  1.00  0.00           H  
HETATM   48  H   UNL     1       9.715  -0.624  -1.125  1.00  0.00           H  
HETATM   49  H   UNL     1       7.219  -1.643   1.952  1.00  0.00           H  
HETATM   50  H   UNL     1       8.420  -2.944   1.768  1.00  0.00           H  
HETATM   51  H   UNL     1       2.461   2.385  -1.793  1.00  0.00           H  
HETATM   52  H   UNL     1       1.389  -0.003   1.587  1.00  0.00           H  
HETATM   53  H   UNL     1       8.580  -2.697  -1.861  1.00  0.00           H  
HETATM   54  H   UNL     1       9.204  -3.552  -0.430  1.00  0.00           H  
HETATM   55  H   UNL     1      10.794  -2.372   1.135  1.00  0.00           H  
HETATM   56  H   UNL     1      11.230  -0.674   0.821  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.640  -2.146  -1.864  1.00  0.00           H  
HETATM   58  H   UNL     1       6.497  -3.270  -1.254  1.00  0.00           H  
HETATM   59  H   UNL     1       6.668  -3.849   0.421  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.272   1.734  -1.909  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.238  -0.930   0.567  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.109  -0.471  -0.750  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.141   1.219   0.542  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.523  -4.875   2.215  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.653  -4.648  -0.688  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.514  -2.829   1.300  1.00  0.00           H  
HETATM   67  H   UNL     1       4.445  -2.869   0.141  1.00  0.00           H  
HETATM   68  H   UNL     1       5.413  -1.813   1.197  1.00  0.00           H  
HETATM   69  H   UNL     1       8.890   0.015   1.186  1.00  0.00           H  
HETATM   70  H   UNL     1       9.493  -0.877   2.604  1.00  0.00           H  
HETATM   71  H   UNL     1       1.010   2.315   2.196  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.480   3.071   1.583  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.348  -5.853   2.039  1.00  0.00           H  
HETATM   74  H   UNL     1       4.426   0.955  -2.178  1.00  0.00           H  
HETATM   75  H   UNL     1       3.362  -1.424   1.207  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.736  -0.130   1.810  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.921   0.554   2.705  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.257   1.503  -1.245  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.075   0.829  -2.154  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.574   0.721   1.331  1.00  0.00           H  
CONECT    1   22   22   31   21                                       
CONECT    2   11   11   22   46                                       
CONECT    3   14   12   47   48                                       
CONECT    4   29   25   49   50                                       
CONECT    5   30   44   43   42                                       
CONECT    6    9    9    7   13                                       
CONECT    7   33   33    6   51                                       
CONECT    8   27   34   34   33                                       
CONECT    9   34    6    6   52                                       
CONECT   10   40   40   36   28                                       
CONECT   11    2    2   35   23                                       
CONECT   12    3   25   53   54                                       
CONECT   13    6   17   30                                            
CONECT   14   29    3   55   56                                       
CONECT   15   35   24   19   57                                       
CONECT   16   25   26   58   59                                       
CONECT   17   20   32   32   13                                       
CONECT   17   45   45                                                 
CONECT   18   28   24   20   60                                       
CONECT   19   20   15   61   62                                       
CONECT   20   18   17   19   63                                       
CONECT   21    1   23   23   64                                       
CONECT   22    2    1    1   65                                       
CONECT   23   11   21   21   66                                       
CONECT   24   18   15                                                 
CONECT   25    4   12   16                                            
CONECT   26   16   27   67   68                                       
CONECT   27   26    8                                                 
CONECT   28   10   18   35   35                                       
CONECT   29   14    4   69   70                                       
CONECT   30   13    5   71   72                                       
CONECT   31    1   73                                                 
CONECT   32   17   17                                                 
CONECT   33    8    7    7   74                                       
CONECT   34    8    8    9   75                                       
CONECT   35   28   28   11   15                                       
CONECT   36   37   37   10   76                                       
CONECT   37   38   36   36   77                                       
CONECT   38   41   39   39   37                                       
CONECT   39   38   38   40   78                                       
CONECT   40   39   10   10   79                                       
CONECT   41   38   80                                                 
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   17   17                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
