COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.999  -2.244  -0.238  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.173  -2.679   0.275  1.00  0.00           C  
HETATM    3 BR   UNL     1      -3.144  -4.196  -0.301  1.00  0.00          Br  
HETATM    4  C   UNL     1      -2.542  -1.808   1.308  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.624  -0.882   1.414  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.636  -1.130   0.452  1.00  0.00           N  
HETATM    7  C   UNL     1       0.514  -0.369   0.240  1.00  0.00           C  
HETATM    8  C   UNL     1       1.772  -0.954   0.283  1.00  0.00           C  
HETATM    9  C   UNL     1       2.894  -0.163   0.067  1.00  0.00           C  
HETATM   10  N   UNL     1       4.157  -0.741   0.109  1.00  0.00           N  
HETATM   11  C   UNL     1       5.256   0.033   0.012  1.00  0.00           C  
HETATM   12  O   UNL     1       5.147   1.243  -0.018  1.00  0.00           O  
HETATM   13  N   UNL     1       6.477  -0.535  -0.052  1.00  0.00           N  
HETATM   14  C   UNL     1       7.672   0.306  -0.157  1.00  0.00           C  
HETATM   15  C   UNL     1       8.917  -0.581  -0.213  1.00  0.00           C  
HETATM   16  N   UNL     1       2.778   1.136  -0.179  1.00  0.00           N  
HETATM   17  C   UNL     1       1.607   1.733  -0.229  1.00  0.00           C  
HETATM   18  C   UNL     1       0.429   1.012  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.881   1.683  -0.094  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.903   1.029  -0.024  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.945   3.022  -0.231  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.184   3.670  -0.192  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.318   3.060  -0.724  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.522   3.742  -0.662  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.560   4.995  -0.079  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.468   5.545   0.415  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.304   4.929   0.383  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.447  -2.702  -1.045  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.433  -1.887   1.913  1.00  0.00           H  
HETATM   30  H   UNL     1       1.878  -2.010   0.483  1.00  0.00           H  
HETATM   31  H   UNL     1       4.248  -1.702   0.207  1.00  0.00           H  
HETATM   32  H   UNL     1       6.564  -1.501  -0.028  1.00  0.00           H  
HETATM   33  H   UNL     1       7.614   0.908  -1.064  1.00  0.00           H  
HETATM   34  H   UNL     1       7.732   0.962   0.711  1.00  0.00           H  
HETATM   35  H   UNL     1       9.806   0.045  -0.291  1.00  0.00           H  
HETATM   36  H   UNL     1       8.975  -1.183   0.694  1.00  0.00           H  
HETATM   37  H   UNL     1       8.857  -1.237  -1.081  1.00  0.00           H  
HETATM   38  H   UNL     1       1.556   2.793  -0.433  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.133   3.537  -0.356  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.259   2.080  -1.174  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.421   3.299  -1.064  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.497   5.530  -0.028  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.433   5.410   0.803  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5   29                                       
CONECT    5    6    4    4                                            
CONECT    6    1    7    5                                            
CONECT    7    8    6   18   18                                       
CONECT    8    9    9    7   30                                       
CONECT    9   10    8    8   16                                       
CONECT   10   11    9   31                                            
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   32                                            
CONECT   14   15   13   33   34                                       
CONECT   15   14   35   36   37                                       
CONECT   16    9   17   17                                            
CONECT   17   16   16   18   38                                       
CONECT   18    7    7   17   19                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   39                                            
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   40                                       
CONECT   24   23   25   25   41                                       
CONECT   25   24   24   26   42                                       
CONECT   26   27   27   25                                            
CONECT   27   22   26   26   43                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
