COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      18.995  16.681  82.154  1.00  0.00           C  
HETATM    2  C   UNL     1      20.268  17.303  81.654  1.00  0.00           C  
HETATM    3  C   UNL     1      21.418  16.620  82.303  1.00  0.00           C  
HETATM    4  N   UNL     1      21.144  15.382  82.714  1.00  0.00           N  
HETATM    5  S   UNL     1      19.400  14.948  82.438  1.00  0.00           S  
HETATM    6  O   UNL     1      18.454  14.575  83.776  1.00  0.00           O  
HETATM    7  O   UNL     1      18.989  14.149  81.015  1.00  0.00           O  
HETATM    8  O   UNL     1      22.523  17.125  82.498  1.00  0.00           O  
HETATM    9  C   UNL     1      17.765  16.856  81.300  1.00  0.00           C  
HETATM   10  C   UNL     1      17.846  16.682  79.845  1.00  0.00           C  
HETATM   11  C   UNL     1      16.638  16.857  79.020  1.00  0.00           C  
HETATM   12  C   UNL     1      15.360  17.208  79.663  1.00  0.00           C  
HETATM   13  C   UNL     1      15.290  17.379  81.111  1.00  0.00           C  
HETATM   14  C   UNL     1      16.493  17.204  81.931  1.00  0.00           C  
HETATM   15  C   UNL     1      14.124  17.392  78.830  1.00  0.00           C  
HETATM   16  C   UNL     1      13.567  18.829  78.895  1.00  0.00           C  
HETATM   17  N   UNL     1      12.237  18.814  78.266  1.00  0.00           N  
HETATM   18  S   UNL     1      11.125  20.144  78.523  1.00  0.00           S  
HETATM   19  O   UNL     1       9.607  19.450  78.137  1.00  0.00           O  
HETATM   20  O   UNL     1      11.284  20.644  80.127  1.00  0.00           O  
HETATM   21  C   UNL     1      15.536  20.545  76.235  1.00  0.00           C  
HETATM   22  C   UNL     1      16.173  21.139  77.481  1.00  0.00           C  
HETATM   23  N   UNL     1      14.477  19.653  76.717  1.00  0.00           N  
HETATM   24  C   UNL     1      14.528  19.740  78.127  1.00  0.00           C  
HETATM   25  N   UNL     1      15.468  20.639  78.682  1.00  0.00           N  
HETATM   26  F   UNL     1      11.146  22.371  73.698  1.00  0.00           F  
HETATM   27  C   UNL     1      11.606  22.407  75.068  1.00  0.00           C  
HETATM   28  C   UNL     1      12.511  23.475  75.508  1.00  0.00           C  
HETATM   29  C   UNL     1      11.175  21.377  76.007  1.00  0.00           C  
HETATM   30  C   UNL     1      11.644  21.406  77.384  1.00  0.00           C  
HETATM   31  C   UNL     1      12.551  22.471  77.831  1.00  0.00           C  
HETATM   32  C   UNL     1      12.983  23.506  76.891  1.00  0.00           C  
HETATM   33  C   UNL     1      15.907  19.083  74.193  1.00  0.00           C  
HETATM   34  C   UNL     1      16.536  19.680  75.440  1.00  0.00           C  
HETATM   35  C   UNL     1      17.729  17.667  73.016  1.00  0.00           C  
HETATM   36  C   UNL     1      16.450  17.737  73.739  1.00  0.00           C  
HETATM   37  C   UNL     1      15.686  16.506  74.006  1.00  0.00           C  
HETATM   38  C   UNL     1      16.201  15.211  73.546  1.00  0.00           C  
HETATM   39  C   UNL     1      17.480  15.147  72.819  1.00  0.00           C  
HETATM   40  C   UNL     1      18.242  16.372  72.556  1.00  0.00           C  
HETATM   41  H   UNL     1      18.680  17.211  83.065  1.00  0.00           H  
HETATM   42  H   UNL     1      20.335  17.187  80.562  1.00  0.00           H  
HETATM   43  H   UNL     1      20.282  18.375  81.898  1.00  0.00           H  
HETATM   44  H   UNL     1      21.816  14.766  83.125  1.00  0.00           H  
HETATM   45  H   UNL     1      18.787  16.427  79.381  1.00  0.00           H  
HETATM   46  H   UNL     1      16.439  17.332  83.002  1.00  0.00           H  
HETATM   47  H   UNL     1      16.689  16.729  77.949  1.00  0.00           H  
HETATM   48  H   UNL     1      14.351  17.635  81.579  1.00  0.00           H  
HETATM   49  H   UNL     1      14.374  17.164  77.783  1.00  0.00           H  
HETATM   50  H   UNL     1      13.351  16.717  79.228  1.00  0.00           H  
HETATM   51  H   UNL     1      13.477  19.198  79.927  1.00  0.00           H  
HETATM   52  H   UNL     1      12.398  18.775  77.280  1.00  0.00           H  
HETATM   53  H   UNL     1      15.178  21.352  75.579  1.00  0.00           H  
HETATM   54  H   UNL     1      17.232  20.844  77.528  1.00  0.00           H  
HETATM   55  H   UNL     1      16.099  22.236  77.443  1.00  0.00           H  
HETATM   56  H   UNL     1      17.384  20.312  75.138  1.00  0.00           H  
HETATM   57  H   UNL     1      16.861  18.852  76.088  1.00  0.00           H  
HETATM   58  H   UNL     1      15.618  20.876  79.642  1.00  0.00           H  
HETATM   59  H   UNL     1      12.828  24.237  74.811  1.00  0.00           H  
HETATM   60  H   UNL     1      10.508  20.593  75.680  1.00  0.00           H  
HETATM   61  H   UNL     1      13.649  24.291  77.218  1.00  0.00           H  
HETATM   62  H   UNL     1      12.899  22.490  78.853  1.00  0.00           H  
HETATM   63  H   UNL     1      14.835  18.948  74.402  1.00  0.00           H  
HETATM   64  H   UNL     1      16.139  19.786  73.379  1.00  0.00           H  
HETATM   65  H   UNL     1      18.291  18.569  72.824  1.00  0.00           H  
HETATM   66  H   UNL     1      19.180  16.321  72.024  1.00  0.00           H  
HETATM   67  H   UNL     1      14.748  16.556  74.539  1.00  0.00           H  
HETATM   68  H   UNL     1      15.643  14.307  73.740  1.00  0.00           H  
HETATM   69  H   UNL     1      17.858  14.194  72.478  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   23   34   53                                       
CONECT   22   21   25   54   55                                       
CONECT   23   21   24   24                                            
CONECT   24   16   23   23   25                                       
CONECT   25   22   24   58                                            
CONECT   26   27                                                      
CONECT   27   26   28   29   29                                       
CONECT   28   27   32   32   59                                       
CONECT   29   27   27   30   60                                       
CONECT   30   18   29   31   31                                       
CONECT   31   30   30   32   62                                       
CONECT   32   28   28   31   61                                       
CONECT   33   34   36   63   64                                       
CONECT   34   21   33   56   57                                       
CONECT   35   36   40   40   65                                       
CONECT   36   33   35   37   37                                       
CONECT   37   36   36   38   67                                       
CONECT   38   37   39   39   68                                       
CONECT   39   38   38   40   69                                       
CONECT   40   35   35   39   66                                       
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   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   40                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
