COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.866   2.416  -1.232  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.783   2.849   0.713  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.997   2.892   1.617  1.00  0.00           C  
HETATM    4  C   UNL     1       1.375  -2.572   0.144  1.00  0.00           C  
HETATM    5  C   UNL     1       0.209  -3.327   0.125  1.00  0.00           C  
HETATM    6  C   UNL     1       2.599  -4.574  -0.254  1.00  0.00           C  
HETATM    7  N   UNL     1       2.974   3.601   0.081  1.00  0.00           N  
HETATM    8  C   UNL     1       1.773   3.068  -0.063  1.00  0.00           C  
HETATM    9  N   UNL     1       1.600   1.760  -0.190  1.00  0.00           N  
HETATM   10  C   UNL     1       2.646   0.939  -0.184  1.00  0.00           C  
HETATM   11  C   UNL     1       3.928   1.479  -0.069  1.00  0.00           C  
HETATM   12  C   UNL     1       4.062   2.845   0.078  1.00  0.00           C  
HETATM   13  C   UNL     1       5.143   0.588  -0.105  1.00  0.00           C  
HETATM   14  N   UNL     1       0.655   3.899  -0.046  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.599   3.280  -0.189  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.072   1.755  -1.302  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.038   1.949  -0.310  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.577   3.515   0.780  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.282   1.321  -0.164  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.972   1.866   1.017  1.00  0.00           C  
HETATM   21  N   UNL     1       2.476  -0.440  -0.290  1.00  0.00           N  
HETATM   22  C   UNL     1       1.330  -1.081   0.383  1.00  0.00           C  
HETATM   23  N   UNL     1       0.237  -4.628  -0.113  1.00  0.00           N  
HETATM   24  C   UNL     1       1.394  -5.243  -0.271  1.00  0.00           C  
HETATM   25  C   UNL     1       2.588  -3.199  -0.060  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.021  -2.679   0.334  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.255  -3.527   0.226  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.117  -1.063   0.682  1.00  0.00           S  
HETATM   29  C   UNL     1      -3.488  -2.664   0.499  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.787   0.367  -0.949  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.996   0.627  -2.115  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.935  -1.950  -0.776  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.105  -1.012  -0.454  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.481  -0.858   1.022  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.083  -0.848   1.633  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.721  -0.239  -0.885  1.00  0.00           C  
HETATM   37  F   UNL     1       6.297   1.367   0.028  1.00  0.00           F  
HETATM   38  F   UNL     1       5.077  -0.332   0.947  1.00  0.00           F  
HETATM   39  F   UNL     1       5.182  -0.099  -1.323  1.00  0.00           F  
HETATM   40  H   UNL     1      -0.125   2.261  -2.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.725   2.601   2.632  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.438   3.889   1.613  1.00  0.00           H  
HETATM   43  H   UNL     1       3.529  -5.107  -0.389  1.00  0.00           H  
HETATM   44  H   UNL     1       5.039   3.290   0.187  1.00  0.00           H  
HETATM   45  H   UNL     1       0.738   4.860   0.060  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.273   1.085  -2.126  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.392   4.222   1.574  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.175   1.072   1.736  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.900   2.355   0.721  1.00  0.00           H  
HETATM   50  H   UNL     1       3.105  -0.974  -0.801  1.00  0.00           H  
HETATM   51  H   UNL     1       0.400  -0.677  -0.019  1.00  0.00           H  
HETATM   52  H   UNL     1       1.379  -0.883   1.453  1.00  0.00           H  
HETATM   53  H   UNL     1       1.397  -6.313  -0.420  1.00  0.00           H  
HETATM   54  H   UNL     1       3.507  -2.633  -0.068  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.326  -3.943  -0.779  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.209  -4.335   0.956  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.298  -3.299   0.858  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.246  -1.923   1.261  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.104  -1.369  -1.178  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.252  -2.687  -1.514  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.263  -0.984   0.624  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.008  -1.375  -0.945  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.008  -0.845  -1.445  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.632  -0.116  -1.471  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.285   0.739  -0.682  1.00  0.00           H  
CONECT    1   16   16   15   40                                       
CONECT    2   17   17   18    3                                       
CONECT    3    2   20   41   42                                       
CONECT    4    5    5   25   22                                       
CONECT    5   23   26    4    4                                       
CONECT    6   24   25   25   43                                       
CONECT    7   12   12    8                                            
CONECT    8    9    9    7   14                                       
CONECT    9   10    8    8                                            
CONECT   10   21   11   11    9                                       
CONECT   11   13   10   10   12                                       
CONECT   12   11    7    7   44                                       
CONECT   13   39   38   37   11                                       
CONECT   14    8   15   45                                            
CONECT   15    1   14   18   18                                       
CONECT   16    1    1   17   46                                       
CONECT   17   16   19    2    2                                       
CONECT   18   15   15    2   47                                       
CONECT   19   30   17   20                                            
CONECT   20   19    3   48   49                                       
CONECT   21   22   10   50                                            
CONECT   22    4   21   51   52                                       
CONECT   23   24   24    5                                            
CONECT   24   23   23    6   53                                       
CONECT   25    6    6    4   54                                       
CONECT   26   28    5   27                                            
CONECT   27   26   29   55   56                                       
CONECT   28   36   34   34   35                                       
CONECT   28   35   26                                                 
CONECT   29   27   32   57   58                                       
CONECT   30   33   31   31   19                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   59   60                                       
CONECT   33   32   30   61   62                                       
CONECT   34   28   28                                                 
CONECT   35   28   28                                                 
CONECT   36   28   63   64   65                                       
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
