COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.135   0.489  -0.687  1.00  0.00           C  
HETATM    2  C   UNL     1       2.144  -0.178  -1.002  1.00  0.00           C  
HETATM    3  C   UNL     1       3.091  -0.446  -1.981  1.00  0.00           C  
HETATM    4  C   UNL     1       2.653  -0.890  -3.353  1.00  0.00           C  
HETATM    5  C   UNL     1       4.436  -0.306  -1.697  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.430   6.187  -0.260  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.108   5.072   0.633  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.235   4.124   0.240  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.716   4.194  -0.854  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.904   2.977   1.160  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.938   2.090   0.506  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.617   2.300   0.661  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.228   3.230   1.346  1.00  0.00           O  
HETATM   14  N   UNL     1       0.271   1.495   0.068  1.00  0.00           N  
HETATM   15  N   UNL     1       0.780  -0.326  -1.287  1.00  0.00           N  
HETATM   16  C   UNL     1       4.839   0.103  -0.435  1.00  0.00           C  
HETATM   17  O   UNL     1       6.163   0.241  -0.156  1.00  0.00           O  
HETATM   18  C   UNL     1       6.507   0.666   1.164  1.00  0.00           C  
HETATM   19  F   UNL     1       5.938   1.919   1.415  1.00  0.00           F  
HETATM   20  F   UNL     1       6.022  -0.261   2.093  1.00  0.00           F  
HETATM   21  C   UNL     1       3.893   0.371   0.544  1.00  0.00           C  
HETATM   22  C   UNL     1       2.549   0.231   0.262  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.474   0.261  -0.862  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.928  -0.854  -1.697  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.088  -2.087  -0.846  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.299  -2.352  -0.236  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.448  -3.485   0.546  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.632  -3.744   1.142  1.00  0.00           F  
HETATM   29  C   UNL     1      -2.381  -4.352   0.718  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.524  -5.458   1.481  1.00  0.00           F  
HETATM   31  C   UNL     1      -1.167  -4.084   0.105  1.00  0.00           C  
HETATM   32  F   UNL     1      -0.125  -4.929   0.270  1.00  0.00           F  
HETATM   33  C   UNL     1      -1.024  -2.954  -0.681  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.372   1.068  -0.261  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.563   0.876  -0.408  1.00  0.00           O  
HETATM   36  H   UNL     1       2.509  -0.016  -3.989  1.00  0.00           H  
HETATM   37  H   UNL     1       3.417  -1.534  -3.788  1.00  0.00           H  
HETATM   38  H   UNL     1       1.715  -1.440  -3.274  1.00  0.00           H  
HETATM   39  H   UNL     1       5.173  -0.514  -2.458  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.149   6.847   0.226  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.522   6.744  -0.488  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.860   5.800  -1.184  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.524   5.016   1.508  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.474   3.364   2.083  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.813   2.420   1.388  1.00  0.00           H  
HETATM   46  H   UNL     1       0.487  -1.008  -1.912  1.00  0.00           H  
HETATM   47  H   UNL     1       7.591   0.735   1.253  1.00  0.00           H  
HETATM   48  H   UNL     1       4.208   0.689   1.527  1.00  0.00           H  
HETATM   49  H   UNL     1       1.812   0.440   1.024  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.886  -0.600  -2.152  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.194  -1.044  -2.480  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.131  -1.676  -0.370  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.078  -2.745  -1.159  1.00  0.00           H  
CONECT    1   23   15   14   14                                       
CONECT    2   15    3    3   22                                       
CONECT    3    4    2    2    5                                       
CONECT    4    3   36   37   38                                       
CONECT    5    3   16   16   39                                       
CONECT    6    7   40   41   42                                       
CONECT    7    8    6   43                                            
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   44   45                                       
CONECT   11   34   12   10                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    1    1   12                                            
CONECT   15    1    2   46                                            
CONECT   16    5    5   21   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   20   19   47                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   22   22   16   48                                       
CONECT   22    2   21   21   49                                       
CONECT   23   24    1   34                                            
CONECT   24   25   23   50   51                                       
CONECT   25   26   26   33   24                                       
CONECT   26   27   25   25   52                                       
CONECT   27   28   29   29   26                                       
CONECT   28   27                                                      
CONECT   29   30   27   27   31                                       
CONECT   30   29                                                      
CONECT   31   29   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31   25   53                                       
CONECT   34   23   35   35   11                                       
CONECT   35   34   34                                                 
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
