COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -9.612  -1.163   1.633  1.00  0.00           F  
HETATM    2  C   UNL     1      -9.441  -0.353   0.505  1.00  0.00           C  
HETATM    3  F   UNL     1      -9.990  -0.991  -0.613  1.00  0.00           F  
HETATM    4  F   UNL     1     -10.087   0.871   0.707  1.00  0.00           F  
HETATM    5  C   UNL     1      -7.971  -0.114   0.275  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.248  -0.983  -0.523  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.903  -0.771  -0.738  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.352   0.976   0.860  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.007   1.202   0.654  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.269   0.326  -0.147  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.872   0.553  -0.364  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.727   0.739  -0.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.330   0.966  -0.760  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.607   0.090  -1.570  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.737   2.012  -0.193  1.00  0.00           N  
HETATM   16  C   UNL     1       0.555   2.260  -0.368  1.00  0.00           C  
HETATM   17  C   UNL     1       1.150   3.399   0.264  1.00  0.00           C  
HETATM   18  C   UNL     1       1.637   4.333   0.783  1.00  0.00           C  
HETATM   19  C   UNL     1       2.247   5.504   1.433  1.00  0.00           C  
HETATM   20  N   UNL     1       3.675   5.565   1.091  1.00  0.00           N  
HETATM   21  C   UNL     1       3.862   5.832  -0.342  1.00  0.00           C  
HETATM   22  C   UNL     1       5.359   5.827  -0.665  1.00  0.00           C  
HETATM   23  O   UNL     1       6.022   6.793   0.156  1.00  0.00           O  
HETATM   24  C   UNL     1       5.860   6.563   1.559  1.00  0.00           C  
HETATM   25  C   UNL     1       4.369   6.575   1.904  1.00  0.00           C  
HETATM   26  C   UNL     1       1.340   1.425  -1.159  1.00  0.00           C  
HETATM   27  C   UNL     1       0.752   0.321  -1.775  1.00  0.00           C  
HETATM   28  S   UNL     1       1.706  -0.759  -2.790  1.00  0.00           S  
HETATM   29  C   UNL     1       2.408  -1.880  -1.625  1.00  0.00           C  
HETATM   30  C   UNL     1       2.039  -1.811  -0.289  1.00  0.00           C  
HETATM   31  C   UNL     1       2.589  -2.690   0.623  1.00  0.00           C  
HETATM   32  C   UNL     1       3.328  -2.835  -2.049  1.00  0.00           C  
HETATM   33  C   UNL     1       3.884  -3.117  -3.428  1.00  0.00           C  
HETATM   34  C   UNL     1       4.494  -4.532  -3.336  1.00  0.00           C  
HETATM   35  C   UNL     1       4.841  -4.645  -1.836  1.00  0.00           C  
HETATM   36  C   UNL     1       3.877  -3.712  -1.135  1.00  0.00           C  
HETATM   37  C   UNL     1       3.509  -3.637   0.204  1.00  0.00           C  
HETATM   38  O   UNL     1       4.050  -4.501   1.104  1.00  0.00           O  
HETATM   39  C   UNL     1       3.624  -4.374   2.462  1.00  0.00           C  
HETATM   40  C   UNL     1       4.325  -5.406   3.307  1.00  0.00           C  
HETATM   41  O   UNL     1       5.108  -6.173   2.799  1.00  0.00           O  
HETATM   42  O   UNL     1       4.078  -5.474   4.625  1.00  0.00           O  
HETATM   43  H   UNL     1      -7.740  -1.830  -0.979  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.340  -1.450  -1.361  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.923   1.653   1.479  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.524   2.054   1.111  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.094  -0.756  -2.032  1.00  0.00           H  
HETATM   48  H   UNL     1       1.752   6.412   1.087  1.00  0.00           H  
HETATM   49  H   UNL     1       2.136   5.419   2.514  1.00  0.00           H  
HETATM   50  H   UNL     1       3.362   5.058  -0.925  1.00  0.00           H  
HETATM   51  H   UNL     1       3.440   6.805  -0.590  1.00  0.00           H  
HETATM   52  H   UNL     1       5.771   4.838  -0.468  1.00  0.00           H  
HETATM   53  H   UNL     1       5.506   6.081  -1.715  1.00  0.00           H  
HETATM   54  H   UNL     1       6.286   5.595   1.821  1.00  0.00           H  
HETATM   55  H   UNL     1       6.369   7.349   2.117  1.00  0.00           H  
HETATM   56  H   UNL     1       3.954   7.560   1.692  1.00  0.00           H  
HETATM   57  H   UNL     1       4.238   6.344   2.961  1.00  0.00           H  
HETATM   58  H   UNL     1       2.391   1.632  -1.298  1.00  0.00           H  
HETATM   59  H   UNL     1       1.322  -1.072   0.036  1.00  0.00           H  
HETATM   60  H   UNL     1       2.303  -2.638   1.663  1.00  0.00           H  
HETATM   61  H   UNL     1       3.086  -3.096  -4.169  1.00  0.00           H  
HETATM   62  H   UNL     1       4.655  -2.388  -3.681  1.00  0.00           H  
HETATM   63  H   UNL     1       3.763  -5.288  -3.623  1.00  0.00           H  
HETATM   64  H   UNL     1       5.392  -4.607  -3.948  1.00  0.00           H  
HETATM   65  H   UNL     1       4.695  -5.668  -1.490  1.00  0.00           H  
HETATM   66  H   UNL     1       5.869  -4.328  -1.661  1.00  0.00           H  
HETATM   67  H   UNL     1       3.871  -3.377   2.828  1.00  0.00           H  
HETATM   68  H   UNL     1       2.547  -4.526   2.521  1.00  0.00           H  
HETATM   69  H   UNL     1       4.552  -6.153   5.125  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    4    3                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6    6    8                                       
CONECT    6    5    5    7   43                                       
CONECT    7    6   10   10   44                                       
CONECT    8    5    9    9   45                                       
CONECT    9    8    8   10   46                                       
CONECT   10    7    7    9   11                                       
CONECT   11   10   12   12   12                                       
CONECT   12   11   11   11   13                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13   27   47                                       
CONECT   15   13   16   16                                            
CONECT   16   15   15   26   17                                       
CONECT   17   16   18   18   18                                       
CONECT   18   17   17   17   19                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   25   21                                            
CONECT   21   20   22   50   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   54   55                                       
CONECT   25   20   24   56   57                                       
CONECT   26   16   27   27   58                                       
CONECT   27   14   26   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   59                                       
CONECT   31   30   37   37   60                                       
CONECT   32   29   33   36   36                                       
CONECT   33   32   34   61   62                                       
CONECT   34   33   35   63   64                                       
CONECT   35   34   36   65   66                                       
CONECT   36   32   32   35   37                                       
CONECT   37   31   31   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   67   68                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   69                                                 
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   42                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
