COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.091   4.018  14.196  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.897   3.741  14.108  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.657   3.090  13.847  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.145   3.047  13.803  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.314   5.147  14.693  1.00  0.00           C  
HETATM    6  C   UNL     1       3.170   8.434  16.040  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.006   4.965  14.620  1.00  0.00           N  
HETATM    8  C   UNL     1       0.914   8.837  16.100  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.430  12.279  14.731  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.656   8.900  16.182  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.964   8.712  16.228  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.911   6.354  15.219  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.222   7.549  15.693  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.878   9.638  16.504  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.342   9.494  16.342  1.00  0.00           C  
HETATM   16  C   UNL     1       2.210   9.476  16.401  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.047  11.587  13.478  1.00  0.00           O  
HETATM   18  C   UNL     1       2.322   7.333  15.580  1.00  0.00           C  
HETATM   19  F   UNL     1      -6.105   4.340  15.138  1.00  0.00           F  
HETATM   20  F   UNL     1      -5.920   2.599  13.989  1.00  0.00           F  
HETATM   21  F   UNL     1      -5.914   4.435  13.020  1.00  0.00           F  
HETATM   22  C   UNL     1       2.897   6.086  15.165  1.00  0.00           C  
HETATM   23  C   UNL     1       2.203   4.881  14.727  1.00  0.00           C  
HETATM   24  C   UNL     1       2.889   3.613  14.387  1.00  0.00           C  
HETATM   25  C   UNL     1       1.824   2.733  13.958  1.00  0.00           C  
HETATM   26  C   UNL     1       0.671   3.599  14.126  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.371   1.700  13.232  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.557   3.842  14.107  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.465   8.879  16.320  1.00  0.00           C  
HETATM   30  C   UNL     1       4.671   8.497  16.107  1.00  0.00           C  
HETATM   31  C   UNL     1       4.311   3.248  14.513  1.00  0.00           C  
HETATM   32  C   UNL     1       1.828   1.293  13.515  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.966  11.021  16.998  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.507  11.844  15.817  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.592  11.876  14.591  1.00  0.00           C  
HETATM   36  C   UNL     1       2.542  10.798  16.971  1.00  0.00           C  
HETATM   37  C   UNL     1       2.454  10.510  18.483  1.00  0.00           C  
HETATM   38  C   UNL     1       2.755  11.713  19.386  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.877   7.650  15.719  1.00  0.00           N  
HETATM   40  N   UNL     1       1.011   7.579  15.569  1.00  0.00           N  
HETATM   41  N   UNL     1       0.903   4.835  14.550  1.00  0.00           N  
HETATM   42  O   UNL     1       1.814  12.283  19.992  1.00  0.00           O  
HETATM   43  O   UNL     1       3.929  12.066  19.543  1.00  0.00           O  
HETATM   44  F   UNL     1       5.107   4.216  14.722  1.00  0.00           F  
HETATM   45  F   UNL     1       4.298   2.548  15.670  1.00  0.00           F  
HETATM   46  F   UNL     1       4.728   2.439  13.640  1.00  0.00           F  
HETATM   47 FE   UNL     1      -0.494   6.281  15.071  1.00  0.00          Fe  
HETATM   48  H   UNL     1      -0.713   2.112  13.392  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.003  12.316  13.883  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.990   6.373  15.266  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.304  10.522  16.672  1.00  0.00           H  
HETATM   52  H   UNL     1       3.976   6.033  15.179  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.440   0.963  14.046  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.308   1.699  12.656  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.533   1.437  12.569  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.699   9.857  16.766  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.903   8.821  15.312  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.885   8.080  16.949  1.00  0.00           H  
HETATM   59  H   UNL     1       4.980   9.475  16.503  1.00  0.00           H  
HETATM   60  H   UNL     1       5.042   7.700  16.768  1.00  0.00           H  
HETATM   61  H   UNL     1       5.089   8.361  15.099  1.00  0.00           H  
HETATM   62  H   UNL     1       2.862   0.920  13.489  1.00  0.00           H  
HETATM   63  H   UNL     1       1.239   0.690  14.222  1.00  0.00           H  
HETATM   64  H   UNL     1       1.385   1.217  12.511  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.973  11.386  17.298  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.653  11.080  17.855  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.658  12.878  16.160  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.473  11.414  15.513  1.00  0.00           H  
HETATM   69  H   UNL     1       3.554  11.118  16.681  1.00  0.00           H  
HETATM   70  H   UNL     1       1.813  11.563  16.664  1.00  0.00           H  
HETATM   71  H   UNL     1       1.435  10.161  18.706  1.00  0.00           H  
HETATM   72  H   UNL     1       3.175   9.714  18.722  1.00  0.00           H  
HETATM   73  H   UNL     1       2.164  12.974  20.542  1.00  0.00           H  
CONECT    1    4   28    5    5                                       
CONECT    2    4    4    3    7                                       
CONECT    3    2   26   26   48                                       
CONECT    4   27    2    2    1                                       
CONECT    5    1    1    7   12                                       
CONECT    6   18   30   16   16                                       
CONECT    7    2    5   47                                            
CONECT    8   40   15   15   16                                       
CONECT    9   35   49                                                 
CONECT   10   39   39   15   14                                       
CONECT   11   13   29   14   14                                       
CONECT   12    5   13   13   50                                       
CONECT   13   12   12   39   11                                       
CONECT   14   10   11   11   33                                       
CONECT   15    8    8   10   51                                       
CONECT   16    6    6    8   36                                       
CONECT   17   35   35                                                 
CONECT   18   22   22   40    6                                       
CONECT   19   28                                                      
CONECT   20   28                                                      
CONECT   21   28                                                      
CONECT   22   23   18   18   52                                       
CONECT   23   24   41   41   22                                       
CONECT   24   25   25   31   23                                       
CONECT   25   32   26   24   24                                       
CONECT   26    3    3   25   41                                       
CONECT   27    4   53   54   55                                       
CONECT   28   21   20    1   19                                       
CONECT   29   11   56   57   58                                       
CONECT   30    6   59   60   61                                       
CONECT   31   46   24   44   45                                       
CONECT   32   25   62   63   64                                       
CONECT   33   34   14   65   66                                       
CONECT   34   35   33   67   68                                       
CONECT   35   17   17    9   34                                       
CONECT   36   16   37   69   70                                       
CONECT   37   36   38   71   72                                       
CONECT   38   37   43   43   42                                       
CONECT   39   47   13   10   10                                       
CONECT   40   47   18    8                                            
CONECT   41   26   23   23   47                                       
CONECT   42   38   73                                                 
CONECT   43   38   38                                                 
CONECT   44   31                                                      
CONECT   45   31                                                      
CONECT   46   31                                                      
CONECT   47   41    7   40   39                                       
CONECT   48    3                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   22                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   42                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
