COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.572   1.858   5.595  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.941   0.943   4.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.958   1.073   3.439  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.317   0.132   2.644  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.340   0.263   1.258  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.659  -0.724   0.418  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.374  -0.837  -0.903  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.356  -0.159  -1.121  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.922  -1.692  -1.842  1.00  0.00           N  
HETATM   10  S   UNL     1      -1.708  -1.816  -3.295  1.00  0.00           S  
HETATM   11  O   UNL     1      -0.893  -2.652  -4.104  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.072  -2.057  -2.977  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.666  -0.227  -4.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.616   0.113  -4.887  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.579   1.359  -5.484  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.592   2.268  -5.252  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.649   1.930  -4.416  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.675   2.847  -4.179  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.685   0.674  -3.821  1.00  0.00           C  
HETATM   20  C   UNL     1       0.764  -0.288   0.183  1.00  0.00           C  
HETATM   21  C   UNL     1       1.753  -1.235  -0.007  1.00  0.00           C  
HETATM   22  F   UNL     1       1.443  -2.550   0.015  1.00  0.00           F  
HETATM   23  C   UNL     1       3.066  -0.835  -0.223  1.00  0.00           C  
HETATM   24  O   UNL     1       4.039  -1.766  -0.411  1.00  0.00           O  
HETATM   25  C   UNL     1       5.262  -1.052  -0.604  1.00  0.00           C  
HETATM   26  C   UNL     1       6.404  -2.046  -0.822  1.00  0.00           C  
HETATM   27  C   UNL     1       3.382   0.513  -0.247  1.00  0.00           C  
HETATM   28  C   UNL     1       2.388   1.460  -0.055  1.00  0.00           C  
HETATM   29  O   UNL     1       2.696   2.784  -0.078  1.00  0.00           O  
HETATM   30  C   UNL     1       4.102   2.876  -0.317  1.00  0.00           C  
HETATM   31  C   UNL     1       4.517   4.349  -0.354  1.00  0.00           C  
HETATM   32  C   UNL     1       1.080   1.057   0.165  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.646  -0.938   3.230  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.620  -1.073   4.599  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.267  -0.135   5.406  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.239  -0.277   6.875  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.844   0.600   7.627  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.575  -1.338   7.453  1.00  0.00           N  
HETATM   39  H   UNL     1      -1.926   2.551   5.791  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.477   1.903   2.982  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.807   1.009   0.849  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.665  -1.692   0.918  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.137  -2.234  -1.668  1.00  0.00           H  
HETATM   44  H   UNL     1       0.177  -0.596  -5.071  1.00  0.00           H  
HETATM   45  H   UNL     1       0.242   1.622  -6.134  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.563   3.242  -5.718  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.650   3.721  -4.597  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.413   2.609  -3.595  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.506   0.408  -3.171  1.00  0.00           H  
HETATM   50  H   UNL     1       5.471  -0.445   0.276  1.00  0.00           H  
HETATM   51  H   UNL     1       5.171  -0.405  -1.477  1.00  0.00           H  
HETATM   52  H   UNL     1       7.337  -1.501  -0.969  1.00  0.00           H  
HETATM   53  H   UNL     1       6.495  -2.692   0.051  1.00  0.00           H  
HETATM   54  H   UNL     1       6.195  -2.652  -1.703  1.00  0.00           H  
HETATM   55  H   UNL     1       4.402   0.826  -0.415  1.00  0.00           H  
HETATM   56  H   UNL     1       4.641   2.367   0.482  1.00  0.00           H  
HETATM   57  H   UNL     1       4.340   2.407  -1.271  1.00  0.00           H  
HETATM   58  H   UNL     1       5.590   4.419  -0.537  1.00  0.00           H  
HETATM   59  H   UNL     1       3.979   4.858  -1.154  1.00  0.00           H  
HETATM   60  H   UNL     1       4.279   4.818   0.599  1.00  0.00           H  
HETATM   61  H   UNL     1       0.305   1.795   0.315  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.146  -1.665   2.607  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.099  -1.906   5.049  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.826   0.506   8.593  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.557  -1.432   8.418  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.125  -1.991   6.894  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    1    3    3   35                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3    5   33   33                                       
CONECT    5    4    6   41                                            
CONECT    6    5    7   20   42                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   43                                            
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   14   19                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   16   16   45                                       
CONECT   16   15   15   17   46                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   47   48                                            
CONECT   19   13   17   17   49                                       
CONECT   20    6   21   21   32                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21                                                      
CONECT   23   21   24   27   27                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   50   51                                       
CONECT   26   25   52   53   54                                       
CONECT   27   23   23   28   55                                       
CONECT   28   27   29   32   32                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   56   57                                       
CONECT   31   30   58   59   60                                       
CONECT   32   20   28   28   61                                       
CONECT   33    4    4   34   62                                       
CONECT   34   33   35   35   63                                       
CONECT   35    2   34   34   36                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36   64                                            
CONECT   38   36   65   66                                            
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
