COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.321   2.404   1.250  1.00  0.00           C  
HETATM    2  C   UNL     1       3.650   1.831   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       4.319   2.408  -1.248  1.00  0.00           C  
HETATM    4  C   UNL     1       3.791   0.330  -0.002  1.00  0.00           C  
HETATM    5  N   UNL     1       4.915  -0.333   0.002  1.00  0.00           N  
HETATM    6  N   UNL     1       4.630  -1.704  -0.001  1.00  0.00           N  
HETATM    7  C   UNL     1       5.620  -2.784   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1       3.294  -1.860  -0.007  1.00  0.00           C  
HETATM    9  C   UNL     1       2.731  -0.602  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1       1.288  -0.288  -0.002  1.00  0.00           C  
HETATM   11  N   UNL     1       0.281  -1.213  -0.002  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.911  -0.514  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.249  -0.883  -0.001  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.206   0.120   0.000  1.00  0.00           C  
HETATM   15 BR   UNL     1      -5.045  -0.317   0.001  1.00  0.00          Br  
HETATM   16  C   UNL     1      -2.802   1.446   0.001  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.528   1.776   0.001  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.570   0.851   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.778   0.922   0.005  1.00  0.00           N  
HETATM   20  H   UNL     1       4.218   3.490   1.252  1.00  0.00           H  
HETATM   21  H   UNL     1       3.844   1.993   2.140  1.00  0.00           H  
HETATM   22  H   UNL     1       5.378   2.139   1.249  1.00  0.00           H  
HETATM   23  H   UNL     1       2.592   2.096   0.002  1.00  0.00           H  
HETATM   24  H   UNL     1       4.216   3.493  -1.246  1.00  0.00           H  
HETATM   25  H   UNL     1       5.376   2.143  -1.249  1.00  0.00           H  
HETATM   26  H   UNL     1       3.841   2.000  -2.138  1.00  0.00           H  
HETATM   27  H   UNL     1       5.860  -3.053   1.031  1.00  0.00           H  
HETATM   28  H   UNL     1       5.211  -3.653  -0.514  1.00  0.00           H  
HETATM   29  H   UNL     1       6.524  -2.451  -0.507  1.00  0.00           H  
HETATM   30  H   UNL     1       2.760  -2.799  -0.011  1.00  0.00           H  
HETATM   31  H   UNL     1       0.384  -2.178  -0.004  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.537  -1.924  -0.003  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.549   2.226   0.002  1.00  0.00           H  
CONECT    1    2   20   21   22                                       
CONECT    2    1    3    4   23                                       
CONECT    3    2   24   25   26                                       
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    8                                            
CONECT    7    6   27   28   29                                       
CONECT    8    6    9    9   30                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   19   19                                       
CONECT   11   10   12   31                                            
CONECT   12   11   18   18   13                                       
CONECT   13   12   14   14   32                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14                                                      
CONECT   16   17   17   14   33                                       
CONECT   17   18   16   16                                            
CONECT   18   19   12   12   17                                       
CONECT   19   10   10   18                                            
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
