COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.693   0.876  -0.915  1.00  0.00           N1+
HETATM    2  C   UNL     1      -4.321   1.775   0.200  1.00  0.00           C  
HETATM    3  C   UNL     1       2.634  -1.075  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       1.464  -0.585  -0.570  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.049   2.347   0.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.069   2.057  -0.825  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.626   3.460   2.292  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.234   2.054   1.197  1.00  0.00           C  
HETATM    9  C   UNL     1       0.118   1.280  -1.567  1.00  0.00           C  
HETATM   10  C   UNL     1       1.386   0.746  -0.954  1.00  0.00           C  
HETATM   11  C   UNL     1       2.472   1.581  -0.773  1.00  0.00           C  
HETATM   12  C   UNL     1       3.637   1.091  -0.210  1.00  0.00           C  
HETATM   13  C   UNL     1       3.717  -0.236   0.175  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.358   2.261  -1.987  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.706   3.194   1.299  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.888   2.895   2.240  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.840   0.479  -1.020  1.00  0.00           O1-
HETATM   18  O   UNL     1      -3.854   0.538  -1.730  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.853   1.567  -0.509  1.00  0.00           N  
HETATM   20 BR   UNL     1       5.121   2.237   0.036  1.00  0.00          Br  
HETATM   21 BR   UNL     1       2.741  -2.886   0.528  1.00  0.00          Br  
HETATM   22  O   UNL     1       0.397  -1.408  -0.747  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.489  -1.488   0.264  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.314  -0.840   1.277  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.673  -2.362   0.142  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.593  -2.447   1.189  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.697  -3.266   1.068  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.880  -3.104  -1.023  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.988  -3.919  -1.130  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.893  -4.002  -0.087  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.362   4.115   3.109  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.220   1.616   1.163  1.00  0.00           H  
HETATM   33  H   UNL     1       0.338   2.195  -2.117  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.296   0.538  -2.250  1.00  0.00           H  
HETATM   35  H   UNL     1       2.412   2.617  -1.072  1.00  0.00           H  
HETATM   36  H   UNL     1       4.627  -0.616   0.615  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.723   3.639   1.338  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.604   3.106   3.020  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.622   1.404   0.419  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.442  -1.873   2.091  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.410  -3.333   1.877  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.174  -3.039  -1.838  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.149  -4.492  -2.031  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.759  -4.642  -0.177  1.00  0.00           H  
CONECT    1   18   18   17    2                                       
CONECT    2    1    5    5    8                                       
CONECT    3   21   13   13    4                                       
CONECT    4    3   22   10   10                                       
CONECT    5    6    2    2   15                                       
CONECT    6   14   14   19    5                                       
CONECT    7   15   15   16   31                                       
CONECT    8    2   16   16   32                                       
CONECT    9   10   19   33   34                                       
CONECT   10    4    4   11    9                                       
CONECT   11   12   12   10   35                                       
CONECT   12   13   20   11   11                                       
CONECT   13    3    3   12   36                                       
CONECT   14    6    6                                                 
CONECT   15    5    7    7   37                                       
CONECT   16    8    8    7   38                                       
CONECT   17    1                                                      
CONECT   18    1    1                                                 
CONECT   19    9    6   39                                            
CONECT   20   12                                                      
CONECT   21    3                                                      
CONECT   22   23    4                                                 
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   28   23   26   26                                       
CONECT   26   25   25   27   40                                       
CONECT   27   30   30   26   41                                       
CONECT   28   29   29   25   42                                       
CONECT   29   28   28   30   43                                       
CONECT   30   29   27   27   44                                       
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
CONECT   42   28                                                      
CONECT   43   29                                                      
CONECT   44   30                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
