COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.915   1.651   0.184  1.00  0.00           C  
HETATM    2  C   UNL     1       6.247   0.486  -0.550  1.00  0.00           C  
HETATM    3  C   UNL     1       7.130  -0.758  -0.442  1.00  0.00           C  
HETATM    4  N   UNL     1       4.938   0.211   0.057  1.00  0.00           N  
HETATM    5  C   UNL     1       4.118  -0.430  -0.980  1.00  0.00           C  
HETATM    6  C   UNL     1       2.733  -0.745  -0.413  1.00  0.00           C  
HETATM    7  C   UNL     1       1.879  -1.413  -1.493  1.00  0.00           C  
HETATM    8  N   UNL     1       0.552  -1.715  -0.949  1.00  0.00           N  
HETATM    9  C   UNL     1       0.203  -2.832  -0.234  1.00  0.00           C  
HETATM   10  N   UNL     1       0.850  -3.913   0.192  1.00  0.00           N  
HETATM   11  C   UNL     1       0.221  -4.842   0.886  1.00  0.00           C  
HETATM   12  F   UNL     1       0.912  -5.928   1.295  1.00  0.00           F  
HETATM   13  N   UNL     1      -1.062  -4.748   1.196  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.786  -3.700   0.816  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.127  -3.612   1.145  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.159  -2.685   0.074  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.566  -1.510  -0.466  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.563  -0.940  -1.067  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.626   0.383  -1.787  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.449   1.504  -0.795  1.00  0.00           C  
HETATM   21  C   UNL     1       0.799   2.067  -0.605  1.00  0.00           C  
HETATM   22  C   UNL     1       0.964   3.096   0.307  1.00  0.00           C  
HETATM   23  O   UNL     1       2.068   3.810   0.676  1.00  0.00           O  
HETATM   24  C   UNL     1       1.719   4.438   1.924  1.00  0.00           C  
HETATM   25  O   UNL     1       0.287   4.569   1.853  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.131   3.563   1.030  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.379   2.996   0.835  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.537   1.971  -0.081  1.00  0.00           C  
HETATM   29  I   UNL     1      -3.427   1.115  -0.375  1.00  0.00           I  
HETATM   30  H   UNL     1       7.886   1.855  -0.266  1.00  0.00           H  
HETATM   31  H   UNL     1       6.285   2.537   0.107  1.00  0.00           H  
HETATM   32  H   UNL     1       7.048   1.390   1.234  1.00  0.00           H  
HETATM   33  H   UNL     1       6.113   0.747  -1.600  1.00  0.00           H  
HETATM   34  H   UNL     1       6.655  -1.588  -0.965  1.00  0.00           H  
HETATM   35  H   UNL     1       8.102  -0.554  -0.892  1.00  0.00           H  
HETATM   36  H   UNL     1       7.264  -1.019   0.608  1.00  0.00           H  
HETATM   37  H   UNL     1       5.090  -0.481   0.775  1.00  0.00           H  
HETATM   38  H   UNL     1       4.017   0.244  -1.831  1.00  0.00           H  
HETATM   39  H   UNL     1       4.598  -1.354  -1.303  1.00  0.00           H  
HETATM   40  H   UNL     1       2.833  -1.419   0.439  1.00  0.00           H  
HETATM   41  H   UNL     1       2.253   0.179  -0.090  1.00  0.00           H  
HETATM   42  H   UNL     1       1.778  -0.739  -2.344  1.00  0.00           H  
HETATM   43  H   UNL     1       2.358  -2.337  -1.815  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.646  -2.842   0.862  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.549  -4.319   1.657  1.00  0.00           H  
HETATM   46  H   UNL     1       0.168   0.429  -2.532  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.593   0.483  -2.279  1.00  0.00           H  
HETATM   48  H   UNL     1       1.647   1.703  -1.167  1.00  0.00           H  
HETATM   49  H   UNL     1       2.004   3.804   2.764  1.00  0.00           H  
HETATM   50  H   UNL     1       2.190   5.417   2.005  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.229   3.356   1.395  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    4   33                                       
CONECT    3    2   34   35   36                                       
CONECT    4    2    5   37                                            
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   18                                            
CONECT    9    8   10   10   16                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   13   13                                       
CONECT   12   11                                                      
CONECT   13   11   11   14                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   44   45                                            
CONECT   16    9   14   14   17                                       
CONECT   17   16   18   18                                            
CONECT   18    8   17   17   19                                       
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   28   28                                       
CONECT   21   20   22   22   48                                       
CONECT   22   21   21   23   26                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   49   50                                       
CONECT   25   24   26                                                 
CONECT   26   22   25   27   27                                       
CONECT   27   26   26   28   51                                       
CONECT   28   20   20   27   29                                       
CONECT   29   28                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
