COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.852   2.210  -0.078  1.00  0.00           C  
HETATM    2  N   UNL     1       6.424   2.524  -0.176  1.00  0.00           N  
HETATM    3  C   UNL     1       5.472   1.514  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       5.878   0.218   0.267  1.00  0.00           C  
HETATM    5  C   UNL     1       4.942  -0.791   0.443  1.00  0.00           C  
HETATM    6  C   UNL     1       3.594  -0.511   0.353  1.00  0.00           C  
HETATM    7  C   UNL     1       3.170   0.791   0.084  1.00  0.00           C  
HETATM    8  C   UNL     1       4.111   1.814  -0.089  1.00  0.00           C  
HETATM    9  N   UNL     1       3.429   2.996  -0.342  1.00  0.00           N  
HETATM   10  C   UNL     1       2.068   2.775  -0.339  1.00  0.00           C  
HETATM   11  C   UNL     1       1.845   1.416  -0.064  1.00  0.00           C  
HETATM   12  C   UNL     1       0.536   0.929  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.513   1.834  -0.226  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.208   3.167  -0.493  1.00  0.00           C  
HETATM   15  N   UNL     1       1.036   3.593  -0.522  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.924   1.378  -0.177  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.845   1.984   0.682  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.092   1.547   0.694  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.470   0.556  -0.088  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.634  -0.044  -0.912  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.370   0.335  -0.992  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.904   0.093  -0.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.178  -1.294   0.547  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.306  -1.060  -0.960  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.926   1.170   0.215  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.626   2.205   1.016  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.016   1.103  -0.302  1.00  0.00           O  
HETATM   28  N   UNL     1       0.281  -0.417   0.266  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.559  -0.896   1.219  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.522  -2.247   1.156  1.00  0.00           C  
HETATM   31  C   UNL     1       0.365  -2.607   0.135  1.00  0.00           C  
HETATM   32  N   UNL     1       0.841  -1.513  -0.402  1.00  0.00           N  
HETATM   33  C   UNL     1       0.708  -4.015  -0.279  1.00  0.00           C  
HETATM   34  F   UNL     1       2.016  -4.050  -0.774  1.00  0.00           F  
HETATM   35  F   UNL     1       0.605  -4.865   0.827  1.00  0.00           F  
HETATM   36  F   UNL     1      -0.179  -4.437  -1.275  1.00  0.00           F  
HETATM   37  F   UNL     1       5.351  -2.052   0.703  1.00  0.00           F  
HETATM   38  H   UNL     1       8.113   1.467  -0.832  1.00  0.00           H  
HETATM   39  H   UNL     1       8.436   3.115  -0.243  1.00  0.00           H  
HETATM   40  H   UNL     1       8.069   1.813   0.914  1.00  0.00           H  
HETATM   41  H   UNL     1       6.140   3.432  -0.364  1.00  0.00           H  
HETATM   42  H   UNL     1       6.932  -0.010   0.338  1.00  0.00           H  
HETATM   43  H   UNL     1       2.867  -1.298   0.490  1.00  0.00           H  
HETATM   44  H   UNL     1       3.850   3.856  -0.498  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.011   3.868  -0.664  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.542   2.797   1.326  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.691  -0.161  -1.670  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.322  -1.872   0.895  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.099  -1.427   1.115  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.311  -1.040  -1.383  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.534  -1.484  -1.602  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.314   2.871   1.149  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.150  -0.306   1.904  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.079  -2.928   1.783  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    3    1   41                                            
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   42                                       
CONECT    5    6    6    4   37                                       
CONECT    6    7    5    5   43                                       
CONECT    7   11    8    8    6                                       
CONECT    8    9    7    7    3                                       
CONECT    9   10    8   44                                            
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10    7                                       
CONECT   12   13   28   11   11                                       
CONECT   13   16   14   14   12                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   10   10                                            
CONECT   16   21   21   17   13                                       
CONECT   17   18   18   16   46                                       
CONECT   18   19   17   17                                            
CONECT   19   22   20   20   18                                       
CONECT   20   19   19   21                                            
CONECT   21   20   16   16   47                                       
CONECT   22   23   25   24   19                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   22   50   51                                       
CONECT   25   27   27   26   22                                       
CONECT   26   25   52                                                 
CONECT   27   25   25                                                 
CONECT   28   32   12   29                                            
CONECT   29   28   30   30   53                                       
CONECT   30   31   29   29   54                                       
CONECT   31   32   32   33   30                                       
CONECT   32   28   31   31                                            
CONECT   33   35   36   31   34                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37    5                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
