COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -7.764   3.518  -0.739  1.00  0.00           F  
HETATM    2  C   UNL     1      -6.419   3.806  -0.480  1.00  0.00           C  
HETATM    3  F   UNL     1      -5.640   3.422  -1.576  1.00  0.00           F  
HETATM    4  F   UNL     1      -6.271   5.180  -0.260  1.00  0.00           F  
HETATM    5  C   UNL     1      -5.964   3.039   0.764  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.124   1.559   0.528  1.00  0.00           C  
HETATM    7  S   UNL     1      -7.578   0.651   0.896  1.00  0.00           S  
HETATM    8  C   UNL     1      -6.866  -0.851   0.326  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.359  -2.094   0.263  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.638  -3.085  -0.209  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.403  -2.912  -0.642  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.191   0.784   0.012  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.563  -0.612  -0.120  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.829  -1.718  -0.620  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.534  -1.552  -1.077  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.474  -1.663  -2.541  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.623  -2.512  -0.439  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.576  -2.264   1.079  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.431  -1.173   1.424  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.113  -1.918   1.424  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.187  -2.308  -0.964  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.291  -2.555   0.275  1.00  0.00           C  
HETATM   23  N   UNL     1       1.004  -1.879   0.124  1.00  0.00           N  
HETATM   24  C   UNL     1       2.010  -2.461   1.023  1.00  0.00           C  
HETATM   25  C   UNL     1       3.322  -1.743   0.840  1.00  0.00           C  
HETATM   26  C   UNL     1       3.613  -0.632   1.611  1.00  0.00           C  
HETATM   27  C   UNL     1       4.813   0.029   1.448  1.00  0.00           C  
HETATM   28  C   UNL     1       4.234  -2.201  -0.094  1.00  0.00           C  
HETATM   29  C   UNL     1       5.438  -1.548  -0.265  1.00  0.00           C  
HETATM   30  C   UNL     1       5.734  -0.425   0.505  1.00  0.00           C  
HETATM   31  C   UNL     1       7.025   0.282   0.325  1.00  0.00           C  
HETATM   32  C   UNL     1       7.945  -0.170  -0.625  1.00  0.00           C  
HETATM   33  C   UNL     1       9.140   0.526  -0.755  1.00  0.00           C  
HETATM   34  O   UNL     1      10.079   0.143  -1.658  1.00  0.00           O  
HETATM   35  C   UNL     1       9.780  -1.001  -2.460  1.00  0.00           C  
HETATM   36  N   UNL     1       7.308   1.348   1.061  1.00  0.00           N  
HETATM   37  N   UNL     1       8.412   1.991   0.940  1.00  0.00           N  
HETATM   38  C   UNL     1       9.345   1.635   0.073  1.00  0.00           C  
HETATM   39  O   UNL     1      10.497   2.348  -0.016  1.00  0.00           O  
HETATM   40  C   UNL     1      10.637   3.467   0.860  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.917   3.263   0.966  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.572   3.338   1.618  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.070  -4.074  -0.243  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.222   1.158  -0.286  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.199  -0.982  -2.987  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.472  -1.403  -2.884  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.705  -2.686  -2.838  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.954  -3.531  -0.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.883  -3.163   1.614  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.429  -0.953   2.366  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.970  -0.838   1.441  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.832  -2.356   2.382  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.961  -3.031  -1.748  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.057  -1.291  -1.332  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.153  -3.623   0.445  1.00  0.00           H  
HETATM   56  H   UNL     1       1.316  -1.906  -0.835  1.00  0.00           H  
HETATM   57  H   UNL     1       1.679  -2.356   2.056  1.00  0.00           H  
HETATM   58  H   UNL     1       2.138  -3.518   0.788  1.00  0.00           H  
HETATM   59  H   UNL     1       2.899  -0.281   2.341  1.00  0.00           H  
HETATM   60  H   UNL     1       5.039   0.897   2.050  1.00  0.00           H  
HETATM   61  H   UNL     1       4.004  -3.072  -0.690  1.00  0.00           H  
HETATM   62  H   UNL     1       6.149  -1.907  -0.994  1.00  0.00           H  
HETATM   63  H   UNL     1       7.734  -1.034  -1.238  1.00  0.00           H  
HETATM   64  H   UNL     1       8.876  -0.812  -3.040  1.00  0.00           H  
HETATM   65  H   UNL     1      10.611  -1.198  -3.137  1.00  0.00           H  
HETATM   66  H   UNL     1       9.624  -1.866  -1.815  1.00  0.00           H  
HETATM   67  H   UNL     1      10.583   3.128   1.895  1.00  0.00           H  
HETATM   68  H   UNL     1      11.601   3.947   0.686  1.00  0.00           H  
HETATM   69  H   UNL     1       9.836   4.181   0.670  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    4    1    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6   41   42                                       
CONECT    6    7    5   12   12                                       
CONECT    7    8    6                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   43                                       
CONECT   11   10   10   14                                            
CONECT   12    6    6   13   44                                       
CONECT   13    8   12   14   14                                       
CONECT   14   13   13   11   15                                       
CONECT   15   14   16   17                                            
CONECT   16   15   45   46   47                                       
CONECT   17   18   15   21   48                                       
CONECT   18   19   20   17   49                                       
CONECT   19   18   50                                                 
CONECT   20   18   22   51   52                                       
CONECT   21   17   22   53   54                                       
CONECT   22   20   21   23   55                                       
CONECT   23   22   24   56                                            
CONECT   24   23   25   57   58                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   59                                       
CONECT   27   26   30   30   60                                       
CONECT   28   25   29   29   61                                       
CONECT   29   28   28   30   62                                       
CONECT   30   27   27   29   31                                       
CONECT   31   30   36   36   32                                       
CONECT   32   31   33   33   63                                       
CONECT   33   32   32   38   34                                       
CONECT   34   33   35                                                 
CONECT   35   34   64   65   66                                       
CONECT   36   31   31   37                                            
CONECT   37   36   38   38                                            
CONECT   38   37   37   33   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   67   68   69                                       
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   40                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
