COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.801   1.525   1.799  1.00  0.00           C  
HETATM    2  C   UNL     1       4.549   0.546   0.930  1.00  0.00           C  
HETATM    3  C   UNL     1       5.897   0.333   1.131  1.00  0.00           C  
HETATM    4  C   UNL     1       6.585  -0.565   0.334  1.00  0.00           C  
HETATM    5  C   UNL     1       5.926  -1.255  -0.668  1.00  0.00           C  
HETATM    6  C   UNL     1       4.578  -1.052  -0.879  1.00  0.00           C  
HETATM    7  C   UNL     1       3.863  -1.805  -1.971  1.00  0.00           C  
HETATM    8  C   UNL     1       3.877  -0.151  -0.076  1.00  0.00           C  
HETATM    9  C   UNL     1       2.432   0.067  -0.292  1.00  0.00           C  
HETATM   10  O   UNL     1       2.056   0.929  -1.063  1.00  0.00           O  
HETATM   11  N   UNL     1       1.530  -0.689   0.364  1.00  0.00           N  
HETATM   12  C   UNL     1       0.163  -0.411   0.245  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.763  -1.445   0.283  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.112  -1.170   0.166  1.00  0.00           C  
HETATM   15 BR   UNL     1      -3.372  -2.579   0.218  1.00  0.00          Br  
HETATM   16  C   UNL     1      -2.542   0.140   0.009  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.869   0.411  -0.106  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.617   1.174  -0.029  1.00  0.00           C  
HETATM   19 BR   UNL     1      -2.204   2.959  -0.242  1.00  0.00          Br  
HETATM   20  C   UNL     1      -0.268   0.901   0.094  1.00  0.00           C  
HETATM   21  H   UNL     1       3.839   2.515   1.346  1.00  0.00           H  
HETATM   22  H   UNL     1       2.763   1.207   1.893  1.00  0.00           H  
HETATM   23  H   UNL     1       4.261   1.559   2.786  1.00  0.00           H  
HETATM   24  H   UNL     1       6.417   0.869   1.911  1.00  0.00           H  
HETATM   25  H   UNL     1       7.640  -0.728   0.495  1.00  0.00           H  
HETATM   26  H   UNL     1       6.469  -1.954  -1.287  1.00  0.00           H  
HETATM   27  H   UNL     1       3.473  -2.741  -1.572  1.00  0.00           H  
HETATM   28  H   UNL     1       3.039  -1.200  -2.350  1.00  0.00           H  
HETATM   29  H   UNL     1       4.560  -2.018  -2.782  1.00  0.00           H  
HETATM   30  H   UNL     1       1.828  -1.426   0.920  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.428  -2.465   0.404  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.312   0.574   0.738  1.00  0.00           H  
HETATM   33  H   UNL     1       0.451   1.706   0.068  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3    3    8                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3    5    5   25                                       
CONECT    5    4    4    6   26                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   27   28   29                                       
CONECT    8    2    6    6    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   30                                            
CONECT   12   11   13   13   20                                       
CONECT   13   12   12   14   31                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   14   14   17   18                                       
CONECT   17   16   32                                                 
CONECT   18   16   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   12   18   18   33                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   17                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
