COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.137  16.613  82.196  1.00  0.00           C  
HETATM    2  C   UNL     1      20.441  17.132  81.655  1.00  0.00           C  
HETATM    3  C   UNL     1      21.563  16.394  82.311  1.00  0.00           C  
HETATM    4  N   UNL     1      21.231  15.192  82.795  1.00  0.00           N  
HETATM    5  S   UNL     1      19.483  14.876  82.506  1.00  0.00           S  
HETATM    6  O   UNL     1      18.516  14.307  83.683  1.00  0.00           O  
HETATM    7  O   UNL     1      19.277  14.018  81.072  1.00  0.00           O  
HETATM    8  O   UNL     1      22.695  16.827  82.446  1.00  0.00           O  
HETATM    9  C   UNL     1      17.906  16.814  81.331  1.00  0.00           C  
HETATM   10  C   UNL     1      17.999  16.679  79.880  1.00  0.00           C  
HETATM   11  C   UNL     1      16.812  16.892  79.052  1.00  0.00           C  
HETATM   12  C   UNL     1      15.527  17.211  79.683  1.00  0.00           C  
HETATM   13  C   UNL     1      15.436  17.345  81.140  1.00  0.00           C  
HETATM   14  C   UNL     1      16.617  17.147  81.962  1.00  0.00           C  
HETATM   15  C   UNL     1      14.302  17.398  78.837  1.00  0.00           C  
HETATM   16  C   UNL     1      13.717  18.817  78.901  1.00  0.00           C  
HETATM   17  N   UNL     1      12.384  18.757  78.287  1.00  0.00           N  
HETATM   18  S   UNL     1      11.274  20.056  78.621  1.00  0.00           S  
HETATM   19  O   UNL     1       9.821  19.348  78.134  1.00  0.00           O  
HETATM   20  O   UNL     1      11.483  20.481  80.235  1.00  0.00           O  
HETATM   21  C   UNL     1      15.811  20.733  76.548  1.00  0.00           C  
HETATM   22  C   UNL     1      16.253  21.270  77.886  1.00  0.00           C  
HETATM   23  N   UNL     1      14.654  19.882  76.853  1.00  0.00           N  
HETATM   24  C   UNL     1      14.636  19.830  78.196  1.00  0.00           C  
HETATM   25  N   UNL     1      15.455  20.604  78.929  1.00  0.00           N  
HETATM   26  F   UNL     1      11.731  22.606  74.221  1.00  0.00           F  
HETATM   27  C   UNL     1      12.120  22.709  75.616  1.00  0.00           C  
HETATM   28  C   UNL     1      12.921  23.757  76.263  1.00  0.00           C  
HETATM   29  C   UNL     1      11.608  21.591  76.397  1.00  0.00           C  
HETATM   30  C   UNL     1      11.914  21.497  77.819  1.00  0.00           C  
HETATM   31  C   UNL     1      12.700  22.550  78.478  1.00  0.00           C  
HETATM   32  C   UNL     1      13.204  23.680  77.699  1.00  0.00           C  
HETATM   33  C   UNL     1      15.498  17.988  72.113  1.00  0.00           C  
HETATM   34  C   UNL     1      15.863  19.413  72.138  1.00  0.00           C  
HETATM   35  C   UNL     1      16.339  20.027  73.383  1.00  0.00           C  
HETATM   36  C   UNL     1      16.444  19.218  74.604  1.00  0.00           C  
HETATM   37  C   UNL     1      16.104  17.790  74.570  1.00  0.00           C  
HETATM   38  C   UNL     1      15.630  17.175  73.329  1.00  0.00           C  
HETATM   39  C   UNL     1      16.900  19.859  75.904  1.00  0.00           C  
HETATM   40  F   UNL     1      16.253  17.029  75.794  1.00  0.00           F  
HETATM   41  H   UNL     1      18.845  17.188  83.087  1.00  0.00           H  
HETATM   42  H   UNL     1      20.480  16.975  80.567  1.00  0.00           H  
HETATM   43  H   UNL     1      20.530  18.208  81.864  1.00  0.00           H  
HETATM   44  H   UNL     1      21.861  14.562  83.250  1.00  0.00           H  
HETATM   45  H   UNL     1      18.942  16.423  79.419  1.00  0.00           H  
HETATM   46  H   UNL     1      16.550  17.244  83.036  1.00  0.00           H  
HETATM   47  H   UNL     1      16.882  16.814  77.977  1.00  0.00           H  
HETATM   48  H   UNL     1      14.491  17.591  81.602  1.00  0.00           H  
HETATM   49  H   UNL     1      14.574  17.188  77.792  1.00  0.00           H  
HETATM   50  H   UNL     1      13.533  16.713  79.225  1.00  0.00           H  
HETATM   51  H   UNL     1      13.637  19.164  79.942  1.00  0.00           H  
HETATM   52  H   UNL     1      12.523  18.744  77.297  1.00  0.00           H  
HETATM   53  H   UNL     1      17.774  20.493  75.691  1.00  0.00           H  
HETATM   54  H   UNL     1      17.140  19.050  76.609  1.00  0.00           H  
HETATM   55  H   UNL     1      13.301  24.583  75.681  1.00  0.00           H  
HETATM   56  H   UNL     1      11.002  20.833  75.923  1.00  0.00           H  
HETATM   57  H   UNL     1      13.783  24.455  78.180  1.00  0.00           H  
HETATM   58  H   UNL     1      12.905  22.489  79.537  1.00  0.00           H  
HETATM   59  H   UNL     1      15.133  17.540  71.201  1.00  0.00           H  
HETATM   60  H   UNL     1      15.781  20.007  71.240  1.00  0.00           H  
HETATM   61  H   UNL     1      15.378  16.125  73.308  1.00  0.00           H  
HETATM   62  H   UNL     1      16.612  21.072  73.401  1.00  0.00           H  
CONECT    1    2    5    9   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   44                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   14   14                                       
CONECT   10    9   11   11   45                                       
CONECT   11   10   10   12   47                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   48                                       
CONECT   14    9    9   13   46                                       
CONECT   15   12   16   49   50                                       
CONECT   16   15   17   24   51                                       
CONECT   17   16   18   52                                            
CONECT   18   17   19   19   20                                       
CONECT   18   20   30                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   22   23   39                                       
CONECT   22   21   21   25   25                                       
CONECT   23   21   24   24                                            
CONECT   24   16   23   23   25                                       
CONECT   25   22   22   24                                            
CONECT   26   27                                                      
CONECT   27   26   28   29   29                                       
CONECT   28   27   32   32   55                                       
CONECT   29   27   27   30   56                                       
CONECT   30   18   29   31   31                                       
CONECT   31   30   30   32   58                                       
CONECT   32   28   28   31   57                                       
CONECT   33   34   34   38   59                                       
CONECT   34   33   33   35   60                                       
CONECT   35   34   36   36   62                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38   38   40                                       
CONECT   38   33   37   37   61                                       
CONECT   39   21   36   53   54                                       
CONECT   40   37                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45   10                                                      
CONECT   46   14                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   39                                                      
CONECT   54   39                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   38                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
