COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -2.682  -3.325  -2.313  1.00  0.00           F  
HETATM    2  F   UNL     1       0.273  -5.304   0.817  1.00  0.00           F  
HETATM    3  C   UNL     1      -4.923   1.707  -1.016  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.835   0.579  -0.197  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.590   0.019   0.080  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.440   0.589  -0.463  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.543   1.717  -1.280  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.780   2.267  -1.551  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.061  -0.019   0.375  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.997   0.771   0.936  1.00  0.00           N  
HETATM   11  O   UNL     1      -6.223  -1.223   0.339  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.148   0.173   1.616  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.865   2.229   0.865  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.722   2.764  -0.283  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.479   4.266  -0.444  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.812  -0.043   3.093  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.014  -0.668   3.804  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.882   3.484  -2.434  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.115   0.001  -0.173  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.027  -0.980   0.539  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.004   0.554  -0.699  1.00  0.00           N  
HETATM   22  C   UNL     1       1.310  -0.029  -0.412  1.00  0.00           C  
HETATM   23  C   UNL     1       2.388   1.047  -0.559  1.00  0.00           C  
HETATM   24  O   UNL     1       2.452   1.474  -1.922  1.00  0.00           O  
HETATM   25  C   UNL     1       1.589  -1.167  -1.395  1.00  0.00           C  
HETATM   26  C   UNL     1       0.600  -2.282  -1.166  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.600  -2.292  -1.852  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.509  -3.315  -1.643  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.216  -4.328  -0.746  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.014  -4.316  -0.059  1.00  0.00           C  
HETATM   31  C   UNL     1       0.896  -3.295  -0.275  1.00  0.00           C  
HETATM   32  C   UNL     1       3.743   0.473  -0.140  1.00  0.00           C  
HETATM   33  C   UNL     1       4.820   1.549  -0.287  1.00  0.00           C  
HETATM   34  C   UNL     1       6.170   0.976   0.152  1.00  0.00           C  
HETATM   35  C   UNL     1       6.060   0.482   1.597  1.00  0.00           C  
HETATM   36  C   UNL     1       4.946  -0.564   1.690  1.00  0.00           C  
HETATM   37  N   UNL     1       3.675   0.034   1.260  1.00  0.00           N  
HETATM   38  C   UNL     1       7.241   2.065   0.065  1.00  0.00           C  
HETATM   39  C   UNL     1       8.590   1.470   0.379  1.00  0.00           C  
HETATM   40  C   UNL     1       9.368   0.947  -0.636  1.00  0.00           C  
HETATM   41  C   UNL     1      10.605   0.402  -0.348  1.00  0.00           C  
HETATM   42  C   UNL     1      11.064   0.380   0.956  1.00  0.00           C  
HETATM   43  C   UNL     1      10.286   0.903   1.971  1.00  0.00           C  
HETATM   44  C   UNL     1       9.051   1.453   1.682  1.00  0.00           C  
HETATM   45  H   UNL     1      -5.888   2.140  -1.235  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.516  -0.853   0.713  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.652   2.160  -1.701  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.007   0.839   1.533  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.386  -0.785   1.154  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.199   2.670   1.804  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.821   2.490   0.692  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.452   2.251  -1.207  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.775   2.587  -0.064  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.749   4.778   0.480  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.427   4.443  -0.664  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.090   4.647  -1.262  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.953  -0.709   3.177  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.575   0.916   3.556  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.251  -1.626   3.342  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.774  -0.821   4.856  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.873  -0.001   3.720  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.819   4.384  -1.822  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.067   3.478  -3.157  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.836   3.470  -2.961  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.073   1.337  -1.267  1.00  0.00           H  
HETATM   66  H   UNL     1       1.321  -0.417   0.606  1.00  0.00           H  
HETATM   67  H   UNL     1       2.141   1.898   0.076  1.00  0.00           H  
HETATM   68  H   UNL     1       2.668   0.767  -2.546  1.00  0.00           H  
HETATM   69  H   UNL     1       1.490  -0.798  -2.416  1.00  0.00           H  
HETATM   70  H   UNL     1       2.600  -1.542  -1.240  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.828  -1.502  -2.552  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.924  -5.126  -0.581  1.00  0.00           H  
HETATM   73  H   UNL     1       1.836  -3.289   0.257  1.00  0.00           H  
HETATM   74  H   UNL     1       3.989  -0.377  -0.776  1.00  0.00           H  
HETATM   75  H   UNL     1       4.881   1.864  -1.329  1.00  0.00           H  
HETATM   76  H   UNL     1       4.568   2.405   0.338  1.00  0.00           H  
HETATM   77  H   UNL     1       6.442   0.144  -0.498  1.00  0.00           H  
HETATM   78  H   UNL     1       7.006   0.034   1.902  1.00  0.00           H  
HETATM   79  H   UNL     1       5.827   1.321   2.252  1.00  0.00           H  
HETATM   80  H   UNL     1       5.187  -1.409   1.045  1.00  0.00           H  
HETATM   81  H   UNL     1       4.855  -0.907   2.720  1.00  0.00           H  
HETATM   82  H   UNL     1       3.411   0.796   1.865  1.00  0.00           H  
HETATM   83  H   UNL     1       7.254   2.482  -0.942  1.00  0.00           H  
HETATM   84  H   UNL     1       7.016   2.854   0.782  1.00  0.00           H  
HETATM   85  H   UNL     1       9.010   0.965  -1.655  1.00  0.00           H  
HETATM   86  H   UNL     1      11.213  -0.008  -1.141  1.00  0.00           H  
HETATM   87  H   UNL     1      12.030  -0.047   1.181  1.00  0.00           H  
HETATM   88  H   UNL     1      10.644   0.886   2.990  1.00  0.00           H  
HETATM   89  H   UNL     1       8.444   1.866   2.475  1.00  0.00           H  
CONECT    1   28                                                      
CONECT    2   30                                                      
CONECT    3    4    4    8   45                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   46                                       
CONECT    6    5    5    7   19                                       
CONECT    7    6    8    8   47                                       
CONECT    8    3    7    7   18                                       
CONECT    9    4   10   11   11                                       
CONECT   10    9   12   13                                            
CONECT   11    9    9                                                 
CONECT   12   10   16   48   49                                       
CONECT   13   10   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   54   55   56                                       
CONECT   16   12   17   57   58                                       
CONECT   17   16   59   60   61                                       
CONECT   18    8   62   63   64                                       
CONECT   19    6   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   65                                            
CONECT   22   21   23   25   66                                       
CONECT   23   22   24   32   67                                       
CONECT   24   23   68                                                 
CONECT   25   22   26   69   70                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   71                                       
CONECT   28    1   27   29   29                                       
CONECT   29   28   28   30   72                                       
CONECT   30    2   29   31   31                                       
CONECT   31   26   30   30   73                                       
CONECT   32   23   33   37   74                                       
CONECT   33   32   34   75   76                                       
CONECT   34   33   35   38   77                                       
CONECT   35   34   36   78   79                                       
CONECT   36   35   37   80   81                                       
CONECT   37   32   36   82                                            
CONECT   38   34   39   83   84                                       
CONECT   39   38   40   40   44                                       
CONECT   40   39   39   41   85                                       
CONECT   41   40   42   42   86                                       
CONECT   42   41   41   43   87                                       
CONECT   43   42   44   44   88                                       
CONECT   44   39   43   43   89                                       
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
