COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.235  16.550  81.916  1.00  0.00           C  
HETATM    2  C   UNL     1      20.530  17.103  81.393  1.00  0.00           C  
HETATM    3  C   UNL     1      21.651  16.395  82.047  1.00  0.00           C  
HETATM    4  N   UNL     1      21.311  15.234  82.611  1.00  0.00           N  
HETATM    5  S   UNL     1      19.570  14.827  82.238  1.00  0.00           S  
HETATM    6  O   UNL     1      18.734  14.262  83.570  1.00  0.00           O  
HETATM    7  O   UNL     1      19.333  14.046  80.734  1.00  0.00           O  
HETATM    8  O   UNL     1      22.803  16.801  82.083  1.00  0.00           O  
HETATM    9  C   UNL     1      18.008  16.767  81.046  1.00  0.00           C  
HETATM   10  C   UNL     1      18.131  16.745  79.581  1.00  0.00           C  
HETATM   11  C   UNL     1      16.941  16.986  78.750  1.00  0.00           C  
HETATM   12  C   UNL     1      15.647  17.235  79.397  1.00  0.00           C  
HETATM   13  C   UNL     1      15.524  17.256  80.856  1.00  0.00           C  
HETATM   14  C   UNL     1      16.705  17.024  81.679  1.00  0.00           C  
HETATM   15  C   UNL     1      14.403  17.461  78.576  1.00  0.00           C  
HETATM   16  C   UNL     1      13.871  18.886  78.728  1.00  0.00           C  
HETATM   17  N   UNL     1      12.553  18.941  78.112  1.00  0.00           N  
HETATM   18  S   UNL     1      11.596  20.359  78.332  1.00  0.00           S  
HETATM   19  O   UNL     1      10.051  19.656  77.947  1.00  0.00           O  
HETATM   20  O   UNL     1      11.849  20.817  79.940  1.00  0.00           O  
HETATM   21  C   UNL     1      15.871  20.814  76.295  1.00  0.00           C  
HETATM   22  C   UNL     1      16.334  21.453  77.503  1.00  0.00           C  
HETATM   23  N   UNL     1      14.917  19.830  76.623  1.00  0.00           N  
HETATM   24  C   UNL     1      14.794  19.862  78.027  1.00  0.00           C  
HETATM   25  N   UNL     1      15.642  20.842  78.575  1.00  0.00           N  
HETATM   26  C   UNL     1      13.316  23.466  76.153  1.00  0.00           C  
HETATM   27  C   UNL     1      12.672  23.298  74.844  1.00  0.00           C  
HETATM   28  C   UNL     1      12.967  22.553  77.250  1.00  0.00           C  
HETATM   29  C   UNL     1      11.990  21.489  77.028  1.00  0.00           C  
HETATM   30  C   UNL     1      11.346  21.323  75.729  1.00  0.00           C  
HETATM   31  C   UNL     1      11.693  22.229  74.639  1.00  0.00           C  
HETATM   32  C   UNL     1      16.310  21.122  74.878  1.00  0.00           C  
HETATM   33  C   UNL     1      16.621  15.297  73.215  1.00  0.00           C  
HETATM   34  C   UNL     1      17.625  15.202  72.146  1.00  0.00           C  
HETATM   35  C   UNL     1      18.573  16.303  71.895  1.00  0.00           C  
HETATM   36  C   UNL     1      18.511  17.510  72.720  1.00  0.00           C  
HETATM   37  C   UNL     1      17.502  17.605  73.786  1.00  0.00           C  
HETATM   38  C   UNL     1      16.559  16.504  74.041  1.00  0.00           C  
HETATM   39  F   UNL     1      11.075  22.047  73.337  1.00  0.00           F  
HETATM   40  C   UNL     1      16.421  19.863  74.014  1.00  0.00           C  
HETATM   41  C   UNL     1      17.412  18.857  74.606  1.00  0.00           C  
HETATM   42  H   UNL     1      18.939  17.104  82.819  1.00  0.00           H  
HETATM   43  H   UNL     1      20.583  16.955  80.304  1.00  0.00           H  
HETATM   44  H   UNL     1      20.591  18.179  81.611  1.00  0.00           H  
HETATM   45  H   UNL     1      21.924  14.666  83.161  1.00  0.00           H  
HETATM   46  H   UNL     1      19.088  16.553  79.118  1.00  0.00           H  
HETATM   47  H   UNL     1      16.623  17.041  82.756  1.00  0.00           H  
HETATM   48  H   UNL     1      17.019  16.980  77.673  1.00  0.00           H  
HETATM   49  H   UNL     1      14.566  17.442  81.319  1.00  0.00           H  
HETATM   50  H   UNL     1      14.643  17.286  77.517  1.00  0.00           H  
HETATM   51  H   UNL     1      13.627  16.766  78.931  1.00  0.00           H  
HETATM   52  H   UNL     1      13.815  19.156  79.793  1.00  0.00           H  
HETATM   53  H   UNL     1      12.695  18.844  77.127  1.00  0.00           H  
HETATM   54  H   UNL     1      17.066  22.244  77.575  1.00  0.00           H  
HETATM   55  H   UNL     1      15.569  21.794  74.421  1.00  0.00           H  
HETATM   56  H   UNL     1      17.306  21.585  74.927  1.00  0.00           H  
HETATM   57  H   UNL     1      15.738  21.066  79.545  1.00  0.00           H  
HETATM   58  H   UNL     1      14.039  24.253  76.308  1.00  0.00           H  
HETATM   59  H   UNL     1      12.921  23.964  74.031  1.00  0.00           H  
HETATM   60  H   UNL     1      13.431  22.668  78.218  1.00  0.00           H  
HETATM   61  H   UNL     1      10.620  20.538  75.576  1.00  0.00           H  
HETATM   62  H   UNL     1      15.431  19.389  73.951  1.00  0.00           H  
HETATM   63  H   UNL     1      16.784  20.159  73.019  1.00  0.00           H  
HETATM   64  H   UNL     1      15.934  14.482  73.390  1.00  0.00           H  
HETATM   65  H   UNL     1      17.669  14.312  71.535  1.00  0.00           H  
HETATM   66  H   UNL     1      15.827  16.586  74.831  1.00  0.00           H  
HETATM   67  H   UNL     1      19.308  16.219  71.108  1.00  0.00           H  
HETATM   68  H   UNL     1      19.200  18.324  72.548  1.00  0.00           H  
HETATM   69  H   UNL     1      17.078  18.590  75.619  1.00  0.00           H  
HETATM   70  H   UNL     1      18.406  19.327  74.620  1.00  0.00           H  
CONECT    1    2    5    9   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   45                                            
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   46                                       
CONECT   11   10   10   12   48                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   49                                       
CONECT   14    9    9   13   47                                       
CONECT   15   12   16   50   51                                       
CONECT   16   15   17   24   52                                       
CONECT   17   16   18   53                                            
CONECT   18   17   19   19   20                                       
CONECT   18   20   29                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   22   23   32                                       
CONECT   22   21   21   25   54                                       
CONECT   23   21   24   24                                            
CONECT   24   16   23   23   25                                       
CONECT   25   22   24   57                                            
CONECT   26   27   28   28   58                                       
CONECT   27   26   31   31   59                                       
CONECT   28   26   26   29   60                                       
CONECT   29   18   28   30   30                                       
CONECT   30   29   29   31   61                                       
CONECT   31   27   27   30   39                                       
CONECT   32   21   40   55   56                                       
CONECT   33   34   38   38   64                                       
CONECT   34   33   35   35   65                                       
CONECT   35   34   34   36   67                                       
CONECT   36   35   37   37   68                                       
CONECT   37   36   36   38   41                                       
CONECT   38   33   33   37   66                                       
CONECT   39   31                                                      
CONECT   40   32   41   62   63                                       
CONECT   41   37   40   69   70                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46   10                                                      
CONECT   47   14                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   22                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   40                                                      
CONECT   63   40                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   38                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
