COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.551   0.850  -0.575  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.617   1.534  -0.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.812   0.880   0.222  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.946  -0.456  -0.112  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.884  -1.140  -0.677  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.689  -0.488  -0.914  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.534  -1.234  -1.530  1.00  0.00           C  
HETATM    8  C   UNL     1       1.528  -2.306  -0.799  1.00  0.00           C  
HETATM    9  C   UNL     1       2.481  -2.700   0.260  1.00  0.00           C  
HETATM   10  C   UNL     1       3.012  -1.737   1.120  1.00  0.00           C  
HETATM   11  C   UNL     1       3.901  -2.111   2.106  1.00  0.00           C  
HETATM   12  C   UNL     1       4.267  -3.439   2.244  1.00  0.00           C  
HETATM   13  C   UNL     1       3.745  -4.398   1.396  1.00  0.00           C  
HETATM   14  C   UNL     1       2.850  -4.038   0.409  1.00  0.00           C  
HETATM   15  C   UNL     1       0.538   1.468   0.188  1.00  0.00           C  
HETATM   16  C   UNL     1       1.838   2.144   0.011  1.00  0.00           C  
HETATM   17  C   UNL     1       3.998   2.754   0.866  1.00  0.00           C  
HETATM   18  C   UNL     1       2.786   2.122   1.038  1.00  0.00           C  
HETATM   19  C   UNL     1       4.279   3.411  -0.321  1.00  0.00           C  
HETATM   20  C   UNL     1       3.345   3.432  -1.345  1.00  0.00           C  
HETATM   21  C   UNL     1       2.129   2.803  -1.186  1.00  0.00           C  
HETATM   22  O   UNL     1       0.289   0.891   1.228  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.374   1.491  -0.803  1.00  0.00           O  
HETATM   24 BR   UNL     1      -2.434   3.360   0.450  1.00  0.00          Br  
HETATM   25 BR   UNL     1      -5.583  -1.349   0.205  1.00  0.00          Br  
HETATM   26  N   UNL     1       0.411  -1.624  -0.480  1.00  0.00           N  
HETATM   27  O   UNL     1       1.753  -2.597  -1.958  1.00  0.00           O  
HETATM   28  N   UNL     1       2.287  -5.067  -0.494  1.00  0.00           N1+
HETATM   29  O   UNL     1       2.702  -6.212  -0.446  1.00  0.00           O  
HETATM   30  O   UNL     1       1.410  -4.770  -1.284  1.00  0.00           O1-
HETATM   31 CL   UNL     1       5.808   4.206  -0.529  1.00  0.00          Cl  
HETATM   32  H   UNL     1      -4.642   1.411   0.664  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.991  -2.182  -0.937  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.904  -2.125  -2.036  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.029  -0.590  -2.251  1.00  0.00           H  
HETATM   36  H   UNL     1       2.728  -0.700   1.012  1.00  0.00           H  
HETATM   37  H   UNL     1       4.312  -1.367   2.772  1.00  0.00           H  
HETATM   38  H   UNL     1       4.963  -3.726   3.018  1.00  0.00           H  
HETATM   39  H   UNL     1       4.035  -5.432   1.509  1.00  0.00           H  
HETATM   40  H   UNL     1       4.732   2.738   1.659  1.00  0.00           H  
HETATM   41  H   UNL     1       2.568   1.610   1.964  1.00  0.00           H  
HETATM   42  H   UNL     1       3.570   3.946  -2.268  1.00  0.00           H  
HETATM   43  H   UNL     1       1.403   2.819  -1.985  1.00  0.00           H  
HETATM   44  H   UNL     1       0.231  -1.392   0.444  1.00  0.00           H  
CONECT    1    6    6    2   23                                       
CONECT    2    3    3    1   24                                       
CONECT    3    4    2    2   32                                       
CONECT    4   25    5    5    3                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    1    1                                       
CONECT    7    6   26   34   35                                       
CONECT    8   27   27    9   26                                       
CONECT    9    8   14   14   10                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   13   13   11   38                                       
CONECT   13   14   12   12   39                                       
CONECT   14   28    9    9   13                                       
CONECT   15   22   22   16   23                                       
CONECT   16   15   21   21   18                                       
CONECT   17   18   18   19   40                                       
CONECT   18   16   17   17   41                                       
CONECT   19   20   20   17   31                                       
CONECT   20   21   19   19   42                                       
CONECT   21   16   16   20   43                                       
CONECT   22   15   15                                                 
CONECT   23   15    1                                                 
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    8    7   44                                            
CONECT   27    8    8                                                 
CONECT   28   30   29   29   14                                       
CONECT   29   28   28                                                 
CONECT   30   28                                                      
CONECT   31   19                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
