COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.005  -0.270   0.679  1.00  0.00           N1-
HETATM    2  C   UNL     1       3.944  -1.324   0.560  1.00  0.00           C  
HETATM    3  C   UNL     1       2.972  -0.958  -0.562  1.00  0.00           C  
HETATM    4  C   UNL     1       1.577  -0.732   0.025  1.00  0.00           C  
HETATM    5  C   UNL     1       0.604  -0.366  -1.097  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.234   1.034  -0.080  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.804  -0.437   0.203  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.960  -1.184   0.484  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.904  -3.063  -0.343  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.707  -1.101  -0.370  1.00  0.00           C  
HETATM   11  N   UNL     1       6.142  -0.905   0.339  1.00  0.00           N1+
HETATM   12  N   UNL     1       5.280  -1.540  -0.002  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.731  -0.149  -0.535  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.449   0.863   0.355  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.072  -0.584   1.047  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.960  -2.482   0.195  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.800  -2.403  -0.623  1.00  0.00           N  
HETATM   18 BR   UNL     1      -0.301   2.679  -0.075  1.00  0.00          Br  
HETATM   19  H   UNL     1       3.983  -0.513   1.287  1.00  0.00           H  
HETATM   20  H   UNL     1       3.605  -2.236   1.052  1.00  0.00           H  
HETATM   21  H   UNL     1       3.311  -0.046  -1.054  1.00  0.00           H  
HETATM   22  H   UNL     1       2.933  -1.769  -1.289  1.00  0.00           H  
HETATM   23  H   UNL     1       1.238  -1.644   0.516  1.00  0.00           H  
HETATM   24  H   UNL     1       1.616   0.079   0.752  1.00  0.00           H  
HETATM   25  H   UNL     1       0.943   0.547  -1.589  1.00  0.00           H  
HETATM   26  H   UNL     1       0.565  -1.177  -1.824  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.946  -4.120  -0.561  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.865  -1.111   1.236  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.060   0.364   1.253  1.00  0.00           H  
CONECT    1   11   11                                                 
CONECT    2   12    3   19   20                                       
CONECT    3    2    4   21   22                                       
CONECT    4    3    5   23   24                                       
CONECT    5    4   13   25   26                                       
CONECT    6   14   14   18   13                                       
CONECT    7    8   14   10   10                                       
CONECT    8   15   16   16    7                                       
CONECT    9   16   17   17   27                                       
CONECT   10    7    7   17   13                                       
CONECT   11    1    1   12   12                                       
CONECT   12   11   11    2                                            
CONECT   13    6   10    5                                            
CONECT   14    7    6    6                                            
CONECT   15    8   28   29                                            
CONECT   16    8    8    9                                            
CONECT   17    9    9   10                                            
CONECT   18    6                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    9                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
