COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.396   0.084  -0.028  1.00  0.00           C  
HETATM    2  C   UNL     1       5.215   1.350  -0.601  1.00  0.00           C  
HETATM    3  C   UNL     1       3.963   1.868  -0.764  1.00  0.00           C  
HETATM    4  C   UNL     1       2.845   1.142  -0.360  1.00  0.00           C  
HETATM    5  C   UNL     1       3.014  -0.133   0.218  1.00  0.00           C  
HETATM    6  C   UNL     1       4.294  -0.661   0.378  1.00  0.00           C  
HETATM    7  C   UNL     1       6.759  -0.462   0.141  1.00  0.00           C  
HETATM    8  N   UNL     1       6.932  -1.665   0.686  1.00  0.00           N  
HETATM    9  N   UNL     1       7.815   0.249  -0.252  1.00  0.00           N1+
HETATM   10  N   UNL     1       1.495   1.401  -0.397  1.00  0.00           N  
HETATM   11  C   UNL     1       1.670  -0.623   0.527  1.00  0.00           C  
HETATM   12  C   UNL     1       0.800   0.340   0.136  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.671   0.262   0.263  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.402   1.388   0.644  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.775   1.309   0.760  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.564   2.525   1.172  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.964   3.303  -0.055  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.639   2.907  -1.162  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.613   4.330   0.058  1.00  0.00           O1-
HETATM   20  C   UNL     1      -3.430   0.118   0.500  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.716  -1.004   0.123  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.337  -0.940  -0.005  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.634  -2.041  -0.376  1.00  0.00           O1-
HETATM   24 BR   UNL     1      -3.622  -2.626  -0.230  1.00  0.00          Br  
HETATM   25  H   UNL     1       6.075   1.921  -0.917  1.00  0.00           H  
HETATM   26  H   UNL     1       3.839   2.845  -1.207  1.00  0.00           H  
HETATM   27  H   UNL     1       4.429  -1.640   0.815  1.00  0.00           H  
HETATM   28  H   UNL     1       7.826  -2.023   0.797  1.00  0.00           H  
HETATM   29  H   UNL     1       6.163  -2.183   0.972  1.00  0.00           H  
HETATM   30  H   UNL     1       7.689   1.125  -0.649  1.00  0.00           H  
HETATM   31  H   UNL     1       8.709  -0.107  -0.138  1.00  0.00           H  
HETATM   32  H   UNL     1       1.093   2.212  -0.747  1.00  0.00           H  
HETATM   33  H   UNL     1       1.420  -1.571   0.980  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.895   2.319   0.847  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.951   3.155   1.817  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.457   2.213   1.712  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.505   0.065   0.594  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   27                                       
CONECT    7    1    8    9    9                                       
CONECT    8    7   28   29                                            
CONECT    9    7    7   30   31                                       
CONECT   10    4   12   32                                            
CONECT   11    5   12   12   33                                       
CONECT   12   10   11   11   13                                       
CONECT   13   12   14   14   22                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17                                                      
CONECT   20   15   15   21   37                                       
CONECT   21   20   22   22   24                                       
CONECT   22   13   21   21   23                                       
CONECT   23   22                                                      
CONECT   24   21                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
