COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.673   0.739   1.068  1.00  0.00           O  
HETATM    2  C   UNL     1       0.806  -0.456   0.882  1.00  0.00           C  
HETATM    3  N   UNL     1       1.995  -1.046   1.116  1.00  0.00           N  
HETATM    4  C   UNL     1       3.157  -0.233   1.482  1.00  0.00           C  
HETATM    5  C   UNL     1       3.767   0.361   0.239  1.00  0.00           C  
HETATM    6  C   UNL     1       4.233   1.662   0.251  1.00  0.00           C  
HETATM    7  C   UNL     1       4.793   2.208  -0.888  1.00  0.00           C  
HETATM    8  C   UNL     1       4.888   1.451  -2.043  1.00  0.00           C  
HETATM    9  F   UNL     1       5.436   1.984  -3.158  1.00  0.00           F  
HETATM   10  C   UNL     1       4.421   0.146  -2.055  1.00  0.00           C  
HETATM   11 CL   UNL     1       4.539  -0.805  -3.503  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.866  -0.399  -0.912  1.00  0.00           C  
HETATM   13  C   UNL     1       4.191  -1.111   2.189  1.00  0.00           C  
HETATM   14  C   UNL     1       3.630  -1.590   3.503  1.00  0.00           C  
HETATM   15  N   UNL     1       4.323  -2.472   4.250  1.00  0.00           N  
HETATM   16  O   UNL     1       2.554  -1.182   3.887  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.333  -1.258   0.409  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.342  -2.601   0.162  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.576  -2.966  -0.258  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.408  -1.878  -0.299  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.829  -1.888  -0.708  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.353  -2.531  -1.795  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.680  -2.290  -1.809  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.632  -2.790  -2.804  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.991  -1.480  -0.710  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.892  -1.240  -0.045  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.692  -0.772   0.114  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.188   0.618   0.232  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.104   1.486  -0.857  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.567   2.780  -0.741  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.115   3.219   0.453  1.00  0.00           C  
HETATM   32 CL   UNL     1      -3.696   4.850   0.589  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -3.202   2.364   1.537  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.747   1.063   1.432  1.00  0.00           C  
HETATM   35  F   UNL     1      -2.838   0.226   2.489  1.00  0.00           F  
HETATM   36  H   UNL     1       2.081  -2.009   1.041  1.00  0.00           H  
HETATM   37  H   UNL     1       2.843   0.569   2.151  1.00  0.00           H  
HETATM   38  H   UNL     1       4.159   2.253   1.152  1.00  0.00           H  
HETATM   39  H   UNL     1       5.156   3.225  -0.878  1.00  0.00           H  
HETATM   40  H   UNL     1       3.502  -1.416  -0.921  1.00  0.00           H  
HETATM   41  H   UNL     1       4.430  -1.969   1.561  1.00  0.00           H  
HETATM   42  H   UNL     1       5.096  -0.531   2.371  1.00  0.00           H  
HETATM   43  H   UNL     1       5.183  -2.798   3.942  1.00  0.00           H  
HETATM   44  H   UNL     1       3.961  -2.781   5.096  1.00  0.00           H  
HETATM   45  H   UNL     1       0.501  -3.266   0.282  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.834  -3.870  -0.497  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.804  -3.125  -2.511  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.027  -3.752  -2.477  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.451  -2.079  -2.912  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.127  -2.911  -3.762  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.812  -0.648   0.854  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.676   1.146  -1.788  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.502   3.453  -1.583  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.630   2.712   2.466  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   17    1    1                                       
CONECT    3    4    2   36                                            
CONECT    4   13    5    3   37                                       
CONECT    5    4   12    6    6                                       
CONECT    6    5    5    7   38                                       
CONECT    7    8    8    6   39                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8                                                      
CONECT   10   11   12   12    8                                       
CONECT   11   10                                                      
CONECT   12   10   10    5   40                                       
CONECT   13   14    4   41   42                                       
CONECT   14   15   13   16   16                                       
CONECT   15   14   43   44                                            
CONECT   16   14   14                                                 
CONECT   17   18   18    2   27                                       
CONECT   18   19   17   17   45                                       
CONECT   19   18   20   46                                            
CONECT   20   19   27   27   21                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   47                                       
CONECT   23   22   24   25                                            
CONECT   24   23   48   49   50                                       
CONECT   25   23   26   26                                            
CONECT   26   21   25   25   51                                       
CONECT   27   17   20   20   28                                       
CONECT   28   27   34   34   29                                       
CONECT   29   28   30   30   52                                       
CONECT   30   29   29   31   53                                       
CONECT   31   33   33   30   32                                       
CONECT   32   31                                                      
CONECT   33   34   31   31   54                                       
CONECT   34   35   28   28   33                                       
CONECT   35   34                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
