COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.254  -1.173  -0.702  1.00  0.00           N  
HETATM    2  N   UNL     1       4.444  -1.194   1.188  1.00  0.00           N  
HETATM    3  C   UNL     1       2.237  -1.175   0.197  1.00  0.00           C  
HETATM    4  C   UNL     1       1.371  -0.733  -0.803  1.00  0.00           C  
HETATM    5  C   UNL     1       1.837   0.124  -1.798  1.00  0.00           C  
HETATM    6  C   UNL     1       3.155   0.536  -1.797  1.00  0.00           C  
HETATM    7  C   UNL     1       3.556  -0.760   0.194  1.00  0.00           C  
HETATM    8  C   UNL     1       5.928   0.658   0.491  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.264   1.661   0.512  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.151   3.832   0.024  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.050   1.913  -1.094  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.075  -0.820   0.892  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.532  -0.373   1.025  1.00  0.00           C  
HETATM   14  F   UNL     1      -3.258   0.019   1.658  1.00  0.00           F  
HETATM   15  F   UNL     1      -3.947  -2.137   1.348  1.00  0.00           F  
HETATM   16  O   UNL     1      -6.366  -1.230   0.243  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.650  -0.745  -0.576  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.813  -2.482  -0.928  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.508  -2.489  -0.990  1.00  0.00           C  
HETATM   20  C   UNL     1       0.356  -3.702  -1.220  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.045  -1.174  -0.806  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.159  -0.365  -0.627  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.158   1.095  -0.399  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.037   3.276  -0.885  1.00  0.00           C  
HETATM   25  F   UNL     1      -1.150   5.167   0.233  1.00  0.00           F  
HETATM   26  C   UNL     1      -0.267   3.024   0.721  1.00  0.00           C  
HETATM   27  C   UNL     1       4.017   0.099  -0.805  1.00  0.00           C  
HETATM   28  O   UNL     1       5.316   0.502  -0.792  1.00  0.00           O  
HETATM   29  C   UNL     1       5.615  -0.540   1.351  1.00  0.00           C  
HETATM   30  O   UNL     1       6.410  -0.913   2.188  1.00  0.00           O  
HETATM   31  H   UNL     1       4.219  -1.949   1.754  1.00  0.00           H  
HETATM   32  H   UNL     1       1.880  -1.839   0.970  1.00  0.00           H  
HETATM   33  H   UNL     1       1.166   0.466  -2.573  1.00  0.00           H  
HETATM   34  H   UNL     1       3.514   1.200  -2.569  1.00  0.00           H  
HETATM   35  H   UNL     1       7.008   0.746   0.370  1.00  0.00           H  
HETATM   36  H   UNL     1       5.542   1.558   0.970  1.00  0.00           H  
HETATM   37  H   UNL     1       0.425   1.031   1.056  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.741   1.481  -1.803  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.835  -0.427   2.071  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.631   0.652   0.670  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.306  -1.005   0.280  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.749   0.281  -0.930  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.286  -1.399  -1.172  1.00  0.00           H  
HETATM   44  H   UNL     1       0.516  -3.836  -2.290  1.00  0.00           H  
HETATM   45  H   UNL     1       1.316  -3.563  -0.724  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.140  -4.583  -0.814  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.727   3.911  -1.422  1.00  0.00           H  
HETATM   48  H   UNL     1       0.421   3.462   1.428  1.00  0.00           H  
CONECT    1   17   18   22                                            
CONECT    2    7   29   31                                            
CONECT    3    4    7    7   32                                       
CONECT    4   21    5    5    3                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5   27   27   34                                       
CONECT    7    3    3   27    2                                       
CONECT    8   28   29   35   36                                       
CONECT    9   23   23   26   37                                       
CONECT   10   24   25   26   26                                       
CONECT   11   24   24   23   38                                       
CONECT   12   15   17   13   14                                       
CONECT   13   16   12   39   40                                       
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   13   41                                                 
CONECT   17   12    1   42   43                                       
CONECT   18    1   19   19                                            
CONECT   19   18   18   21   20                                       
CONECT   20   19   44   45   46                                       
CONECT   21   22   22   19    4                                       
CONECT   22    1   23   21   21                                       
CONECT   23   11   22    9    9                                       
CONECT   24   11   11   10   47                                       
CONECT   25   10                                                      
CONECT   26   10   10    9   48                                       
CONECT   27    6    6    7   28                                       
CONECT   28   27    8                                                 
CONECT   29    2    8   30   30                                       
CONECT   30   29   29                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
