COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.951   1.529  -1.445  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.127   0.746  -0.633  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.932   1.336  -0.148  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.653   2.587  -0.482  1.00  0.00           N  
HETATM    5  N   UNL     1      -5.584   2.785  -1.727  1.00  0.00           N  
HETATM    6  F   UNL     1      -9.444  -1.019   0.086  1.00  0.00           F  
HETATM    7  C   UNL     1      -8.540  -2.075   0.243  1.00  0.00           C  
HETATM    8  F   UNL     1      -7.809  -1.893   1.422  1.00  0.00           F  
HETATM    9  F   UNL     1      -9.241  -3.284   0.311  1.00  0.00           F  
HETATM   10  C   UNL     1      -7.582  -2.109  -0.950  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.826  -0.807  -1.023  1.00  0.00           C  
HETATM   12  S   UNL     1      -7.367   0.601  -1.918  1.00  0.00           S  
HETATM   13  C   UNL     1      -5.671  -0.584  -0.428  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.467   3.286  -1.254  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.071   0.617   0.661  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.839   1.238   1.155  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.402   0.548   2.450  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.083   1.160   2.928  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.733   1.087   0.107  1.00  0.00           C  
HETATM   20  C   UNL     1       0.566   1.684   0.653  1.00  0.00           C  
HETATM   21  N   UNL     1       0.942   0.989   1.891  1.00  0.00           N  
HETATM   22  C   UNL     1       2.255   1.441   2.370  1.00  0.00           C  
HETATM   23  C   UNL     1       3.332   0.904   1.463  1.00  0.00           C  
HETATM   24  C   UNL     1       3.669  -0.418   1.522  1.00  0.00           C  
HETATM   25  C   UNL     1       2.965  -1.334   2.490  1.00  0.00           C  
HETATM   26  C   UNL     1       3.970   1.757   0.571  1.00  0.00           C  
HETATM   27  C   UNL     1       4.957   1.286  -0.267  1.00  0.00           C  
HETATM   28  C   UNL     1       5.321  -0.056  -0.221  1.00  0.00           C  
HETATM   29  C   UNL     1       4.669  -0.920   0.681  1.00  0.00           C  
HETATM   30  C   UNL     1       5.235  -2.206   0.502  1.00  0.00           C  
HETATM   31  C   UNL     1       6.184  -2.110  -0.467  1.00  0.00           C  
HETATM   32  C   UNL     1       6.991  -3.191  -0.947  1.00  0.00           C  
HETATM   33  N   UNL     1       7.632  -4.048  -1.329  1.00  0.00           N  
HETATM   34  N   UNL     1       6.246  -0.805  -0.912  1.00  0.00           N  
HETATM   35  C   UNL     1       7.142  -0.302  -1.956  1.00  0.00           C  
HETATM   36  C   UNL     1       8.428   0.171  -1.329  1.00  0.00           C  
HETATM   37  C   UNL     1       9.533  -0.581  -1.116  1.00  0.00           C  
HETATM   38  N   UNL     1      10.462   0.209  -0.537  1.00  0.00           N  
HETATM   39  N   UNL     1       9.910   1.488  -0.390  1.00  0.00           N  
HETATM   40  C   UNL     1       8.693   1.465  -0.871  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.878  -2.931  -0.828  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.151  -2.251  -1.869  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.172  -1.330   0.173  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.204   4.304  -1.504  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.282  -0.299   0.901  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.017   2.296   1.348  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.167   0.689   3.214  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.263  -0.517   2.266  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.227   2.223   3.126  1.00  0.00           H  
HETATM   50  H   UNL     1       0.238   0.661   3.843  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.584   0.030  -0.114  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.021   1.613  -0.804  1.00  0.00           H  
HETATM   53  H   UNL     1       1.359   1.565  -0.085  1.00  0.00           H  
HETATM   54  H   UNL     1       0.419   2.743   0.861  1.00  0.00           H  
HETATM   55  H   UNL     1       2.288   2.530   2.367  1.00  0.00           H  
HETATM   56  H   UNL     1       2.418   1.075   3.384  1.00  0.00           H  
HETATM   57  H   UNL     1       2.132  -1.824   1.986  1.00  0.00           H  
HETATM   58  H   UNL     1       3.665  -2.088   2.851  1.00  0.00           H  
HETATM   59  H   UNL     1       2.590  -0.753   3.332  1.00  0.00           H  
HETATM   60  H   UNL     1       3.688   2.799   0.534  1.00  0.00           H  
HETATM   61  H   UNL     1       5.446   1.957  -0.957  1.00  0.00           H  
HETATM   62  H   UNL     1       4.961  -3.102   1.039  1.00  0.00           H  
HETATM   63  H   UNL     1       7.356  -1.100  -2.667  1.00  0.00           H  
HETATM   64  H   UNL     1       6.664   0.529  -2.476  1.00  0.00           H  
HETATM   65  H   UNL     1       9.650  -1.625  -1.364  1.00  0.00           H  
HETATM   66  H   UNL     1      11.354  -0.062  -0.270  1.00  0.00           H  
HETATM   67  H   UNL     1       8.010   2.302  -0.905  1.00  0.00           H  
CONECT    1    2    2    5   12                                       
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3   14                                            
CONECT    5    1   14   14                                            
CONECT    6    7                                                      
CONECT    7    6    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11   41   42                                       
CONECT   11   10   12   13   13                                       
CONECT   12    1   11                                                 
CONECT   13    2   11   11   43                                       
CONECT   14    4    5    5   44                                       
CONECT   15    3   16   45                                            
CONECT   16   15   17   19   46                                       
CONECT   17   16   18   47   48                                       
CONECT   18   17   21   49   50                                       
CONECT   19   16   20   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   18   20   22                                            
CONECT   22   21   23   55   56                                       
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25   29                                       
CONECT   25   24   57   58   59                                       
CONECT   26   23   27   27   60                                       
CONECT   27   26   26   28   61                                       
CONECT   28   27   29   29   34                                       
CONECT   29   24   28   28   30                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   34                                       
CONECT   32   31   33   33   33                                       
CONECT   33   32   32   32                                            
CONECT   34   28   31   35                                            
CONECT   35   34   36   63   64                                       
CONECT   36   35   37   37   40                                       
CONECT   37   36   36   38   65                                       
CONECT   38   37   39   66                                            
CONECT   39   38   40   40                                            
CONECT   40   36   39   39   67                                       
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
