COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.064  -1.351   1.414  1.00  0.00           C  
HETATM    2  C   UNL     1       2.187  -0.325   1.417  1.00  0.00           C  
HETATM    3  C   UNL     1       1.799   0.428   0.170  1.00  0.00           C  
HETATM    4  C   UNL     1       2.301  -0.346  -1.022  1.00  0.00           C  
HETATM    5  C   UNL     1       3.209  -1.420  -0.894  1.00  0.00           C  
HETATM    6  N   UNL     1       3.455  -1.883  -2.086  1.00  0.00           N  
HETATM    7  C   UNL     1       1.089   0.836  -2.917  1.00  0.00           C  
HETATM    8  C   UNL     1       2.435   1.820   0.188  1.00  0.00           C  
HETATM    9  C   UNL     1       2.029   2.549   1.470  1.00  0.00           C  
HETATM   10  C   UNL     1       0.299   0.555   0.099  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.282   1.801  -0.057  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.658   1.926  -0.123  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.459   0.805  -0.033  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.880  -0.452   0.125  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.493  -0.572   0.185  1.00  0.00           C  
HETATM   16  F   UNL     1      -1.447  -2.746  -1.456  1.00  0.00           F  
HETATM   17  C   UNL     1      -2.480  -2.768  -0.585  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.282  -3.890  -0.489  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.339  -3.912   0.403  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.600  -2.813   1.202  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.807  -1.687   1.114  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.737  -1.659   0.223  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.283   3.286  -0.293  1.00  0.00           C  
HETATM   24  F   UNL     1      -1.462   4.253   0.298  1.00  0.00           F  
HETATM   25  F   UNL     1      -2.426   3.566  -1.656  1.00  0.00           F  
HETATM   26  F   UNL     1      -3.539   3.302   0.321  1.00  0.00           F  
HETATM   27  C   UNL     1       3.958   1.685   0.138  1.00  0.00           C  
HETATM   28  C   UNL     1       1.599   0.066   2.663  1.00  0.00           C  
HETATM   29  N   UNL     1       1.132   0.376   3.651  1.00  0.00           N  
HETATM   30  N   UNL     1       3.338  -1.961   2.613  1.00  0.00           N  
HETATM   31  C   UNL     1       2.017  -0.192  -2.324  1.00  0.00           C  
HETATM   32  N   UNL     1       2.715  -1.127  -3.009  1.00  0.00           N  
HETATM   33  O   UNL     1       3.685  -1.823   0.315  1.00  0.00           O  
HETATM   34  H   UNL     1       1.663   1.712  -3.221  1.00  0.00           H  
HETATM   35  H   UNL     1       0.584   0.413  -3.785  1.00  0.00           H  
HETATM   36  H   UNL     1       0.348   1.129  -2.172  1.00  0.00           H  
HETATM   37  H   UNL     1       2.092   2.387  -0.677  1.00  0.00           H  
HETATM   38  H   UNL     1       2.488   2.058   2.329  1.00  0.00           H  
HETATM   39  H   UNL     1       2.367   3.585   1.422  1.00  0.00           H  
HETATM   40  H   UNL     1       0.945   2.525   1.575  1.00  0.00           H  
HETATM   41  H   UNL     1       0.342   2.680  -0.128  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.534   0.904  -0.084  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.038  -1.544   0.303  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.083  -4.750  -1.110  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.963  -4.790   0.475  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.427  -2.837   1.896  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.010  -0.832   1.742  1.00  0.00           H  
HETATM   48  H   UNL     1       4.308   1.183   1.040  1.00  0.00           H  
HETATM   49  H   UNL     1       4.242   1.100  -0.737  1.00  0.00           H  
HETATM   50  H   UNL     1       4.409   2.675   0.075  1.00  0.00           H  
HETATM   51  H   UNL     1       3.960  -2.704   2.648  1.00  0.00           H  
HETATM   52  H   UNL     1       2.909  -1.648   3.425  1.00  0.00           H  
HETATM   53  H   UNL     1       2.707  -1.253  -3.971  1.00  0.00           H  
CONECT    1   30    2    2   33                                       
CONECT    2   28    1    1    3                                       
CONECT    3    2    8   10    4                                       
CONECT    4    3    5   31   31                                       
CONECT    5   33    4    6    6                                       
CONECT    6    5    5   32                                            
CONECT    7   31   34   35   36                                       
CONECT    8   27    9    3   37                                       
CONECT    9    8   38   39   40                                       
CONECT   10   11    3   15   15                                       
CONECT   11   12   12   10   41                                       
CONECT   12   23   11   11   13                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   15   22                                       
CONECT   15   10   10   14   43                                       
CONECT   16   17                                                      
CONECT   17   22   16   18   18                                       
CONECT   18   17   17   19   44                                       
CONECT   19   20   20   18   45                                       
CONECT   20   21   19   19   46                                       
CONECT   21   22   22   20   47                                       
CONECT   22   14   21   21   17                                       
CONECT   23   26   24   25   12                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    8   48   49   50                                       
CONECT   28   29   29   29    2                                       
CONECT   29   28   28   28                                            
CONECT   30    1   51   52                                            
CONECT   31    4    4    7   32                                       
CONECT   32   31    6   53                                            
CONECT   33    1    5                                                 
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
