COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.037  -0.754  -0.675  1.00  0.00           N1+
HETATM    2  C   UNL     1      -4.983   0.335   0.326  1.00  0.00           C  
HETATM    3  C   UNL     1       2.261  -0.800   0.386  1.00  0.00           C  
HETATM    4  C   UNL     1       1.027  -0.590  -0.215  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.953   1.275   0.281  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.912   1.187  -0.766  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.883   2.376   2.202  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.954   0.427   1.301  1.00  0.00           C  
HETATM    9  C   UNL     1       0.936  -4.430  -0.557  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.597   0.865  -1.452  1.00  0.00           C  
HETATM   11  C   UNL     1       0.742   0.634  -0.800  1.00  0.00           C  
HETATM   12  C   UNL     1       1.686   1.643  -0.783  1.00  0.00           C  
HETATM   13  C   UNL     1       2.915   1.433  -0.184  1.00  0.00           C  
HETATM   14  C   UNL     1       3.200   0.213   0.404  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.226   1.226  -1.940  1.00  0.00           O  
HETATM   16  O   UNL     1       1.113  -3.312  -1.429  1.00  0.00           O  
HETATM   17  C   UNL     1       0.026  -2.384  -1.412  1.00  0.00           C  
HETATM   18  O   UNL     1       0.100  -1.584  -0.230  1.00  0.00           O  
HETATM   19 BR   UNL     1       2.653  -2.469   1.185  1.00  0.00          Br  
HETATM   20 BR   UNL     1       4.205   2.815  -0.164  1.00  0.00          Br  
HETATM   21  N   UNL     1      -1.616   1.063  -0.419  1.00  0.00           N  
HETATM   22  O   UNL     1      -4.211  -0.803  -1.568  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.905  -1.606  -0.602  1.00  0.00           O1-
HETATM   24  C   UNL     1      -3.909   2.300   1.228  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.905   1.444   2.237  1.00  0.00           C  
HETATM   26  H   UNL     1      -4.850   3.168   2.935  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.755  -0.297   1.334  1.00  0.00           H  
HETATM   28  H   UNL     1       0.726  -4.075   0.452  1.00  0.00           H  
HETATM   29  H   UNL     1       0.102  -5.037  -0.909  1.00  0.00           H  
HETATM   30  H   UNL     1       1.845  -5.032  -0.549  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.544   1.751  -2.085  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.859  -0.001  -2.060  1.00  0.00           H  
HETATM   33  H   UNL     1       1.466   2.595  -1.243  1.00  0.00           H  
HETATM   34  H   UNL     1       4.160   0.051   0.872  1.00  0.00           H  
HETATM   35  H   UNL     1       0.083  -1.741  -2.291  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.918  -2.930  -1.423  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.358   1.104   0.515  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.114   3.030   1.199  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.668   1.512   2.999  1.00  0.00           H  
CONECT    1   22   22   23    2                                       
CONECT    2    1    5    5    8                                       
CONECT    3   14   14    4   19                                       
CONECT    4   11   11    3   18                                       
CONECT    5    6    2    2   24                                       
CONECT    6   15   15    5   21                                       
CONECT    7   24   24   25   26                                       
CONECT    8    2   25   25   27                                       
CONECT    9   16   28   29   30                                       
CONECT   10   11   21   31   32                                       
CONECT   11   12   10    4    4                                       
CONECT   12   13   13   11   33                                       
CONECT   13   20   12   12   14                                       
CONECT   14   13    3    3   34                                       
CONECT   15    6    6                                                 
CONECT   16    9   17                                                 
CONECT   17   18   16   35   36                                       
CONECT   18    4   17                                                 
CONECT   19    3                                                      
CONECT   20   13                                                      
CONECT   21    6   10   37                                            
CONECT   22    1    1                                                 
CONECT   23    1                                                      
CONECT   24    5    7    7   38                                       
CONECT   25    8    8    7   39                                       
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   21                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
