COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       1.694   2.328  -0.001  1.00  0.00          Cl  
HETATM    2  C   UNL     1       3.341   1.782  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       4.375   2.699   0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       5.688   2.265   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1       5.976   0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.955  -0.015  -0.006  1.00  0.00           C  
HETATM    7  C   UNL     1       3.626   0.415   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.527  -0.572   0.001  1.00  0.00           C  
HETATM    9  N   UNL     1       1.283  -0.148   0.001  1.00  0.00           N  
HETATM   10  C   UNL     1       0.258  -1.010   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.206  -0.862   0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.070   0.231   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.433   0.024   0.000  1.00  0.00           C  
HETATM   14 BR   UNL     1      -4.610   1.503  -0.001  1.00  0.00          Br  
HETATM   15  C   UNL     1      -3.943  -1.267   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.098  -2.355   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.720  -2.169   0.001  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.683  -3.033   0.002  1.00  0.00           O  
HETATM   19  C   UNL     1       0.499  -2.382   0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       1.840  -2.826   0.001  1.00  0.00           C  
HETATM   21  O   UNL     1       2.101  -4.018   0.001  1.00  0.00           O  
HETATM   22  N   UNL     1       2.827  -1.905  -0.004  1.00  0.00           N  
HETATM   23  H   UNL     1       4.157   3.757   0.007  1.00  0.00           H  
HETATM   24  H   UNL     1       6.492   2.986   0.008  1.00  0.00           H  
HETATM   25  H   UNL     1       7.004   0.580   0.000  1.00  0.00           H  
HETATM   26  H   UNL     1       5.182  -1.071  -0.010  1.00  0.00           H  
HETATM   27  H   UNL     1       3.753  -2.191  -0.008  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.673   1.235   0.001  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.012  -1.419   0.000  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.507  -3.355   0.001  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   23                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9   22                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   19   19                                       
CONECT   11   10   12   17   17                                       
CONECT   12   11   13   13   28                                       
CONECT   13   12   12   14   15                                       
CONECT   14   13                                                      
CONECT   15   13   16   16   29                                       
CONECT   16   15   15   17   30                                       
CONECT   17   11   11   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   10   10   18   20                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22    8   20   27                                            
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27   22                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
