COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.205   1.468   0.073  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.952  -1.646  -1.346  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.519   1.658  -1.113  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.141   1.591  -1.134  1.00  0.00           C  
HETATM    5  C   UNL     1       1.532  -2.319  -0.060  1.00  0.00           C  
HETATM    6  C   UNL     1       1.770  -1.195   0.953  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.117  -1.056   0.988  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.172  -3.026   0.080  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.014  -2.196  -0.028  1.00  0.00           C  
HETATM   10  C   UNL     1       0.224  -3.033   0.221  1.00  0.00           C  
HETATM   11  C   UNL     1       1.810   1.121  -0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       1.171   2.264  -0.454  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.207   2.339  -0.442  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.958   1.262   0.026  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.304   0.116   0.478  1.00  0.00           C  
HETATM   16  C   UNL     1       1.062   0.051   0.461  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.440   1.333   0.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.136   1.144   1.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.514   1.218   1.245  1.00  0.00           C  
HETATM   20  N   UNL     1       0.156  -4.231  -0.627  1.00  0.00           N1+
HETATM   21 BR   UNL     1       3.698   1.021  -0.020  1.00  0.00          Br  
HETATM   22  H   UNL     1      -6.284   1.521   0.085  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.754  -1.177  -1.615  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.064   1.857  -2.024  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.607   1.739  -2.061  1.00  0.00           H  
HETATM   26  H   UNL     1       1.500  -1.895  -1.063  1.00  0.00           H  
HETATM   27  H   UNL     1       2.352  -3.034   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1       1.368  -1.486   1.923  1.00  0.00           H  
HETATM   29  H   UNL     1       2.839  -1.000   1.038  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.159  -0.757   1.100  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.725  -1.386   1.950  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.006  -2.561  -0.078  1.00  0.00           H  
HETATM   33  H   UNL     1       0.221  -3.352   1.263  1.00  0.00           H  
HETATM   34  H   UNL     1       1.753   3.099  -0.816  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.702   3.231  -0.795  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.598   0.943   2.149  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.055   1.071   2.168  1.00  0.00           H  
HETATM   38  H   UNL     1       0.934  -4.838  -0.415  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.709  -4.719  -0.452  1.00  0.00           H  
HETATM   40  H   UNL     1       0.199  -3.958  -1.598  1.00  0.00           H  
CONECT    1    3    3   19   22                                       
CONECT    2    9   23                                                 
CONECT    3    4    1    1   24                                       
CONECT    4   17   17    3   25                                       
CONECT    5    6   10   26   27                                       
CONECT    6    5   16   28   29                                       
CONECT    7    9   15   30   31                                       
CONECT    8    9   32                                                 
CONECT    9   10    2    8    7                                       
CONECT   10   20    5    9   33                                       
CONECT   11   21   16   16   12                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   14   35                                       
CONECT   14   15   15   13   17                                       
CONECT   15   16    7   14   14                                       
CONECT   16    6   11   11   15                                       
CONECT   17   14    4    4   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18    1   37                                       
CONECT   20   10   38   39   40                                       
CONECT   21   11                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
