COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.847   3.240   1.853  1.00  0.00           N  
HETATM    2  C   UNL     1       4.989   2.088   1.114  1.00  0.00           C  
HETATM    3  N   UNL     1       6.108   1.671   0.558  1.00  0.00           N  
HETATM    4  C   UNL     1       5.894   0.522  -0.083  1.00  0.00           C  
HETATM    5 CL   UNL     1       7.079  -0.395  -0.961  1.00  0.00          Cl  
HETATM    6  C   UNL     1       4.564   0.191   0.076  1.00  0.00           C  
HETATM    7  N   UNL     1       4.003   1.202   0.849  1.00  0.00           N  
HETATM    8  C   UNL     1       3.904  -0.953  -0.441  1.00  0.00           C  
HETATM    9  O   UNL     1       4.523  -1.767  -1.102  1.00  0.00           O  
HETATM   10  N   UNL     1       2.591  -1.139  -0.199  1.00  0.00           N  
HETATM   11  C   UNL     1       1.908  -2.321  -0.733  1.00  0.00           C  
HETATM   12  C   UNL     1       0.459  -2.291  -0.323  1.00  0.00           C  
HETATM   13  C   UNL     1       0.027  -3.054   0.747  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.302  -3.029   1.125  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.205  -2.241   0.435  1.00  0.00           C  
HETATM   16 BR   UNL     1      -4.023  -2.209   0.955  1.00  0.00          Br  
HETATM   17  C   UNL     1      -1.776  -1.474  -0.638  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.662  -0.699  -1.319  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.849   0.578  -0.894  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.145   1.054   0.204  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.332   2.354   0.641  1.00  0.00           C  
HETATM   22 CL   UNL     1      -1.447   2.940   2.015  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -3.219   3.186  -0.013  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.930   2.715  -1.118  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.737   1.406  -1.561  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.851   3.575  -1.799  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.582   4.257  -2.340  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.439  -1.497  -1.014  1.00  0.00           C  
HETATM   29  F   UNL     1      -0.016  -0.748  -2.056  1.00  0.00           F  
HETATM   30  H   UNL     1       5.612   3.820   1.999  1.00  0.00           H  
HETATM   31  H   UNL     1       3.983   3.475   2.225  1.00  0.00           H  
HETATM   32  H   UNL     1       3.080   1.261   1.141  1.00  0.00           H  
HETATM   33  H   UNL     1       2.098  -0.491   0.327  1.00  0.00           H  
HETATM   34  H   UNL     1       1.979  -2.321  -1.821  1.00  0.00           H  
HETATM   35  H   UNL     1       2.379  -3.221  -0.339  1.00  0.00           H  
HETATM   36  H   UNL     1       0.730  -3.670   1.287  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.636  -3.626   1.961  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.450   0.408   0.719  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.282   1.037  -2.417  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.363   4.200   0.330  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4                                                      
CONECT    6    4    4    7    8                                       
CONECT    7    2    6   32                                            
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   33                                            
CONECT   11   10   12   34   35                                       
CONECT   12   11   13   28   28                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15                                                      
CONECT   17   15   15   18   28                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   25   25                                       
CONECT   20   19   21   21   38                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21                                                      
CONECT   23   21   24   24   40                                       
CONECT   24   23   23   25   26                                       
CONECT   25   19   19   24   39                                       
CONECT   26   24   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28   12   12   17   29                                       
CONECT   29   28                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   20                                                      
CONECT   39   25                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
