COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.186  16.655  82.344  1.00  0.00           C  
HETATM    2  C   UNL     1      20.497  17.157  81.838  1.00  0.00           C  
HETATM    3  C   UNL     1      21.582  16.444  82.562  1.00  0.00           C  
HETATM    4  N   UNL     1      21.225  15.255  83.064  1.00  0.00           N  
HETATM    5  S   UNL     1      19.538  14.924  82.629  1.00  0.00           S  
HETATM    6  O   UNL     1      18.563  14.407  83.840  1.00  0.00           O  
HETATM    7  O   UNL     1      19.315  14.085  81.256  1.00  0.00           O  
HETATM    8  O   UNL     1      22.703  16.868  82.733  1.00  0.00           O  
HETATM    9  C   UNL     1      17.962  16.844  81.463  1.00  0.00           C  
HETATM   10  C   UNL     1      18.085  16.776  80.004  1.00  0.00           C  
HETATM   11  C   UNL     1      16.910  16.976  79.169  1.00  0.00           C  
HETATM   12  C   UNL     1      15.604  17.244  79.792  1.00  0.00           C  
HETATM   13  C   UNL     1      15.483  17.308  81.246  1.00  0.00           C  
HETATM   14  C   UNL     1      16.654  17.109  82.082  1.00  0.00           C  
HETATM   15  C   UNL     1      14.385  17.448  78.928  1.00  0.00           C  
HETATM   16  C   UNL     1      13.702  18.798  79.163  1.00  0.00           C  
HETATM   17  N   UNL     1      12.434  18.790  78.410  1.00  0.00           N  
HETATM   18  S   UNL     1      11.317  20.077  78.767  1.00  0.00           S  
HETATM   19  C   UNL     1      16.051  21.548  78.303  1.00  0.00           C  
HETATM   20  C   UNL     1      15.781  20.978  76.995  1.00  0.00           C  
HETATM   21  N   UNL     1      15.339  20.911  79.343  1.00  0.00           N  
HETATM   22  C   UNL     1      14.619  19.915  78.653  1.00  0.00           C  
HETATM   23  N   UNL     1      14.862  19.944  77.266  1.00  0.00           N  
HETATM   24  C   UNL     1      17.002  22.698  78.582  1.00  0.00           C  
HETATM   25  C   UNL     1      20.326  23.093  75.636  1.00  0.00           C  
HETATM   26  C   UNL     1      19.329  24.166  75.768  1.00  0.00           C  
HETATM   27  C   UNL     1      18.230  24.032  76.731  1.00  0.00           C  
HETATM   28  C   UNL     1      18.127  22.825  77.564  1.00  0.00           C  
HETATM   29  C   UNL     1      19.127  21.748  77.429  1.00  0.00           C  
HETATM   30  C   UNL     1      20.223  21.884  76.467  1.00  0.00           C  
HETATM   31  O   UNL     1       9.706  19.533  78.775  1.00  0.00           O  
HETATM   32  O   UNL     1      11.851  20.948  80.138  1.00  0.00           O  
HETATM   33  C   UNL     1      12.702  23.421  76.643  1.00  0.00           C  
HETATM   34  C   UNL     1      12.261  23.112  75.280  1.00  0.00           C  
HETATM   35  C   UNL     1      12.403  22.492  77.735  1.00  0.00           C  
HETATM   36  C   UNL     1      11.664  21.251  77.463  1.00  0.00           C  
HETATM   37  C   UNL     1      11.221  20.942  76.103  1.00  0.00           C  
HETATM   38  C   UNL     1      11.517  21.869  75.011  1.00  0.00           C  
HETATM   39  C   UNL     1      11.056  21.543  73.667  1.00  0.00           C  
HETATM   40  F   UNL     1      12.257  21.386  72.834  1.00  0.00           F  
HETATM   41  F   UNL     1      10.187  22.616  73.144  1.00  0.00           F  
HETATM   42  F   UNL     1      10.181  20.340  73.474  1.00  0.00           F  
HETATM   43  H   UNL     1      18.874  17.240  83.221  1.00  0.00           H  
HETATM   44  H   UNL     1      20.579  16.964  80.758  1.00  0.00           H  
HETATM   45  H   UNL     1      20.578  18.241  82.008  1.00  0.00           H  
HETATM   46  H   UNL     1      21.815  14.650  83.599  1.00  0.00           H  
HETATM   47  H   UNL     1      19.045  16.578  79.550  1.00  0.00           H  
HETATM   48  H   UNL     1      16.565  17.156  83.157  1.00  0.00           H  
HETATM   49  H   UNL     1      16.996  16.928  78.093  1.00  0.00           H  
HETATM   50  H   UNL     1      14.523  17.503  81.700  1.00  0.00           H  
HETATM   51  H   UNL     1      14.696  17.398  77.874  1.00  0.00           H  
HETATM   52  H   UNL     1      13.661  16.662  79.188  1.00  0.00           H  
HETATM   53  H   UNL     1      13.504  18.968  80.232  1.00  0.00           H  
HETATM   54  H   UNL     1      12.665  18.858  77.439  1.00  0.00           H  
HETATM   55  H   UNL     1      16.188  21.276  76.040  1.00  0.00           H  
HETATM   56  H   UNL     1      16.421  23.632  78.567  1.00  0.00           H  
HETATM   57  H   UNL     1      17.470  22.501  79.558  1.00  0.00           H  
HETATM   58  H   UNL     1      14.452  19.334  76.588  1.00  0.00           H  
HETATM   59  H   UNL     1      21.135  23.193  74.928  1.00  0.00           H  
HETATM   60  H   UNL     1      19.406  25.053  75.156  1.00  0.00           H  
HETATM   61  H   UNL     1      20.955  21.097  76.368  1.00  0.00           H  
HETATM   62  H   UNL     1      17.497  24.819  76.828  1.00  0.00           H  
HETATM   63  H   UNL     1      19.051  20.860  78.039  1.00  0.00           H  
HETATM   64  H   UNL     1      13.247  24.332  76.842  1.00  0.00           H  
HETATM   65  H   UNL     1      12.481  23.795  74.473  1.00  0.00           H  
HETATM   66  H   UNL     1      12.726  22.719  78.740  1.00  0.00           H  
HETATM   67  H   UNL     1      10.676  20.031  75.906  1.00  0.00           H  
CONECT    1    2    5    9   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   46                                            
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   47                                       
CONECT   11   10   10   12   49                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   50                                       
CONECT   14    9    9   13   48                                       
CONECT   15   12   16   51   52                                       
CONECT   16   15   17   22   53                                       
CONECT   17   16   18   54                                            
CONECT   18   17   31   31   32                                       
CONECT   18   32   36                                                 
CONECT   19   20   20   21   24                                       
CONECT   20   19   19   23   55                                       
CONECT   21   19   22   22                                            
CONECT   22   16   21   21   23                                       
CONECT   23   20   22   58                                            
CONECT   24   19   28   56   57                                       
CONECT   25   26   30   30   59                                       
CONECT   26   25   27   27   60                                       
CONECT   27   26   26   28   62                                       
CONECT   28   24   27   29   29                                       
CONECT   29   28   28   30   63                                       
CONECT   30   25   25   29   61                                       
CONECT   31   18   18                                                 
CONECT   32   18   18                                                 
CONECT   33   34   35   35   64                                       
CONECT   34   33   38   38   65                                       
CONECT   35   33   33   36   66                                       
CONECT   36   18   35   37   37                                       
CONECT   37   36   36   38   67                                       
CONECT   38   34   34   37   39                                       
CONECT   39   38   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   30                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
