COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.809   4.751  -1.162  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.529   3.621  -0.822  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.881   2.511  -0.294  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.614   1.370   0.048  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.076   0.146  -0.125  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.886  -1.062   0.141  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.234  -0.940   0.483  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.984  -2.072   0.730  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.404  -3.324   0.639  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.068  -3.451   0.300  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.308  -2.329   0.045  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.444  -4.819   0.204  1.00  0.00           C  
HETATM   13  F   UNL     1      -6.405  -5.792   0.498  1.00  0.00           F  
HETATM   14  F   UNL     1      -4.959  -5.020  -1.093  1.00  0.00           F  
HETATM   15  F   UNL     1      -4.388  -4.916   1.117  1.00  0.00           F  
HETATM   16  C   UNL     1      -3.508   2.534  -0.107  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.781   3.674  -0.451  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.442   4.784  -0.980  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.661   6.018  -1.353  1.00  0.00           C  
HETATM   20  N   UNL     1       2.563   3.807   1.263  1.00  0.00           N  
HETATM   21  C   UNL     1       1.266   3.790   1.003  1.00  0.00           C  
HETATM   22  C   UNL     1       0.706   2.652   0.429  1.00  0.00           C  
HETATM   23  C   UNL     1       1.539   1.572   0.150  1.00  0.00           C  
HETATM   24  N   UNL     1       2.827   1.661   0.438  1.00  0.00           N  
HETATM   25  C   UNL     1       3.325   2.760   0.984  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.664   2.595   0.139  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.316   3.707  -0.254  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.700   4.737  -0.447  1.00  0.00           O  
HETATM   29  N   UNL     1       4.681   2.817   1.271  1.00  0.00           N  
HETATM   30  O   UNL     1      -3.925   0.035  -0.500  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.855  -2.469  -0.330  1.00  0.00           C  
HETATM   32  C   UNL     1       7.434   0.379   1.288  1.00  0.00           C  
HETATM   33  C   UNL     1       7.191  -0.301   0.101  1.00  0.00           C  
HETATM   34  C   UNL     1       6.112   0.058  -0.696  1.00  0.00           C  
HETATM   35  C   UNL     1       5.280   1.090  -0.308  1.00  0.00           C  
HETATM   36  C   UNL     1       5.524   1.770   0.878  1.00  0.00           C  
HETATM   37  C   UNL     1       6.603   1.411   1.675  1.00  0.00           C  
HETATM   38  C   UNL     1       9.101  -3.465   0.317  1.00  0.00           C  
HETATM   39  N   UNL     1       8.663  -4.042  -0.962  1.00  0.00           N  
HETATM   40  C   UNL     1       8.586  -3.008  -2.004  1.00  0.00           C  
HETATM   41  C   UNL     1       7.596  -1.924  -1.571  1.00  0.00           C  
HETATM   42  N   UNL     1       8.034  -1.347  -0.292  1.00  0.00           N  
HETATM   43  C   UNL     1       8.111  -2.381   0.750  1.00  0.00           C  
HETATM   44  C   UNL     1       7.378  -4.736  -0.814  1.00  0.00           C  
HETATM   45  H   UNL     1      -5.318   5.609  -1.576  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.600   3.601  -0.967  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.510   1.459   0.410  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.688   0.037   0.555  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.027  -1.979   0.996  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.995  -4.206   0.834  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.002   1.672   0.303  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.504   6.630  -0.465  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.697   5.726  -1.770  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.219   6.590  -2.095  1.00  0.00           H  
HETATM   55  H   UNL     1       0.650   4.647   1.233  1.00  0.00           H  
HETATM   56  H   UNL     1       1.139   0.673  -0.294  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.143   1.755   0.221  1.00  0.00           H  
HETATM   58  H   UNL     1       5.045   3.581   1.744  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.236  -2.330   0.555  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.681  -3.464  -0.742  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.598  -1.717  -1.076  1.00  0.00           H  
HETATM   62  H   UNL     1       8.271   0.097   1.910  1.00  0.00           H  
HETATM   63  H   UNL     1       5.923  -0.470  -1.619  1.00  0.00           H  
HETATM   64  H   UNL     1       4.441   1.369  -0.928  1.00  0.00           H  
HETATM   65  H   UNL     1       6.792   1.939   2.598  1.00  0.00           H  
HETATM   66  H   UNL     1       9.138  -4.247   1.075  1.00  0.00           H  
HETATM   67  H   UNL     1      10.091  -3.026   0.198  1.00  0.00           H  
HETATM   68  H   UNL     1       9.571  -2.564  -2.149  1.00  0.00           H  
HETATM   69  H   UNL     1       8.248  -3.457  -2.938  1.00  0.00           H  
HETATM   70  H   UNL     1       7.559  -1.141  -2.329  1.00  0.00           H  
HETATM   71  H   UNL     1       6.606  -2.363  -1.452  1.00  0.00           H  
HETATM   72  H   UNL     1       7.126  -2.825   0.895  1.00  0.00           H  
HETATM   73  H   UNL     1       8.449  -1.932   1.684  1.00  0.00           H  
HETATM   74  H   UNL     1       6.621  -4.031  -0.471  1.00  0.00           H  
HETATM   75  H   UNL     1       7.077  -5.154  -1.775  1.00  0.00           H  
HETATM   76  H   UNL     1       7.481  -5.540  -0.085  1.00  0.00           H  
CONECT    1    2    2   18   45                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4   16   16                                       
CONECT    4    3    5   47                                            
CONECT    5    4    6   30   30                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   48                                       
CONECT    8    7    9    9   49                                       
CONECT    9    8    8   10   50                                       
CONECT   10    9   11   11   12                                       
CONECT   11    6   10   10   31                                       
CONECT   12   10   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    3    3   17   51                                       
CONECT   17   16   18   18   27                                       
CONECT   18    1   17   17   19                                       
CONECT   19   18   52   53   54                                       
CONECT   20   21   21   25                                            
CONECT   21   20   20   22   55                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   56                                       
CONECT   24   23   25   25                                            
CONECT   25   20   24   24   29                                       
CONECT   26   22   27   57                                            
CONECT   27   17   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   25   36   58                                            
CONECT   30    5    5                                                 
CONECT   31   11   59   60   61                                       
CONECT   32   33   33   37   62                                       
CONECT   33   32   32   34   42                                       
CONECT   34   33   35   35   63                                       
CONECT   35   34   34   36   64                                       
CONECT   36   29   35   37   37                                       
CONECT   37   32   36   36   65                                       
CONECT   38   39   43   66   67                                       
CONECT   39   38   40   44                                            
CONECT   40   39   41   68   69                                       
CONECT   41   40   42   70   71                                       
CONECT   42   33   41   43                                            
CONECT   43   38   42   72   73                                       
CONECT   44   39   74   75   76                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   43                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
