COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.578  -3.449   0.873  1.00  0.00           O  
HETATM    2  C   UNL     1       5.342  -3.402  -0.312  1.00  0.00           C  
HETATM    3  O   UNL     1       6.146  -4.033  -1.181  1.00  0.00           O  
HETATM    4  C   UNL     1       4.142  -2.640  -0.811  1.00  0.00           C  
HETATM    5  N   UNL     1       3.429  -2.052   0.325  1.00  0.00           N  
HETATM    6  C   UNL     1       2.316  -1.321   0.117  1.00  0.00           C  
HETATM    7  O   UNL     1       1.904  -1.151  -1.011  1.00  0.00           O  
HETATM    8  C   UNL     1       1.582  -0.716   1.286  1.00  0.00           C  
HETATM    9  N   UNL     1       0.415   0.025   0.800  1.00  0.00           N  
HETATM   10  C   UNL     1       0.414   1.348   0.446  1.00  0.00           C  
HETATM   11  C   UNL     1       1.594   2.290   0.484  1.00  0.00           C  
HETATM   12  C   UNL     1       1.268   3.518  -0.373  1.00  0.00           C  
HETATM   13  C   UNL     1       2.322   4.574  -0.160  1.00  0.00           C  
HETATM   14  O   UNL     1       3.239   4.367   0.598  1.00  0.00           O  
HETATM   15  O   UNL     1       2.241   5.744  -0.813  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.101   4.073   0.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.196   3.099  -0.416  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.823   1.712   0.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.668   0.540   0.149  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.833  -0.502   0.627  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.344  -1.781   0.835  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.685  -1.974   0.551  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.496  -0.953   0.080  1.00  0.00           C  
HETATM   24 BR   UNL     1      -5.316  -1.321  -0.278  1.00  0.00          Br  
HETATM   25  C   UNL     1      -3.021   0.319  -0.125  1.00  0.00           C  
HETATM   26  H   UNL     1       6.901  -4.512  -0.813  1.00  0.00           H  
HETATM   27  H   UNL     1       4.469  -1.848  -1.485  1.00  0.00           H  
HETATM   28  H   UNL     1       3.477  -3.319  -1.345  1.00  0.00           H  
HETATM   29  H   UNL     1       3.758  -2.188   1.227  1.00  0.00           H  
HETATM   30  H   UNL     1       1.255  -1.508   1.960  1.00  0.00           H  
HETATM   31  H   UNL     1       2.247  -0.037   1.820  1.00  0.00           H  
HETATM   32  H   UNL     1       1.782   2.600   1.511  1.00  0.00           H  
HETATM   33  H   UNL     1       2.475   1.788   0.083  1.00  0.00           H  
HETATM   34  H   UNL     1       1.247   3.232  -1.425  1.00  0.00           H  
HETATM   35  H   UNL     1       2.940   6.390  -0.644  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.139   4.190   1.115  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.257   5.041  -0.444  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.148   3.388   0.029  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.279   3.116  -1.503  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.723  -2.585   1.201  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.114  -2.954   0.701  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.660   1.108  -0.493  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   26                                                 
CONECT    4    5    2   27   28                                       
CONECT    5    6    4   29                                            
CONECT    6    7    7    8    5                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   30   31                                       
CONECT    9    8   20   10                                            
CONECT   10    9   11   18   18                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   16   34                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   35                                                 
CONECT   16   12   17   36   37                                       
CONECT   17   18   16   38   39                                       
CONECT   18   10   10   19   17                                       
CONECT   19   20   20   18   25                                       
CONECT   20   21    9   19   19                                       
CONECT   21   22   22   20   40                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   25   25   24                                       
CONECT   24   23                                                      
CONECT   25   23   23   19   42                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
