COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.619   0.313   0.296  1.00  0.00           C  
HETATM    2  C   UNL     1       0.828   0.713   0.426  1.00  0.00           C  
HETATM    3  C   UNL     1       2.954  -0.434   0.106  1.00  0.00           C  
HETATM    4  C   UNL     1       1.031   2.072  -0.191  1.00  0.00           C  
HETATM    5  C   UNL     1       5.101  -1.461  -0.077  1.00  0.00           C  
HETATM    6  C   UNL     1       5.817  -0.118  -0.240  1.00  0.00           C  
HETATM    7  C   UNL     1       5.818  -2.524  -0.911  1.00  0.00           C  
HETATM    8  C   UNL     1       5.117  -1.871   1.397  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.089  -0.202  -0.897  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.415  -0.574  -1.015  1.00  0.00           C  
HETATM   11  N   UNL     1       1.669  -0.268  -0.265  1.00  0.00           N  
HETATM   12  N   UNL     1       0.356   3.137   0.286  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.474   0.457   1.372  1.00  0.00           C  
HETATM   14 BR   UNL     1      -5.086  -0.938  -0.099  1.00  0.00          Br  
HETATM   15  C   UNL     1      -3.272  -0.430   0.062  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.802   0.090   1.254  1.00  0.00           C  
HETATM   17  O   UNL     1       3.727  -1.335  -0.530  1.00  0.00           O  
HETATM   18  O   UNL     1       3.415   0.229   1.013  1.00  0.00           O  
HETATM   19  O   UNL     1       1.803   2.209  -1.117  1.00  0.00           O  
HETATM   20  O   UNL     1       0.547   4.414  -0.294  1.00  0.00           O  
HETATM   21  H   UNL     1       1.103   0.747   1.480  1.00  0.00           H  
HETATM   22  H   UNL     1       6.848  -0.212   0.100  1.00  0.00           H  
HETATM   23  H   UNL     1       5.805   0.175  -1.290  1.00  0.00           H  
HETATM   24  H   UNL     1       5.306   0.640   0.354  1.00  0.00           H  
HETATM   25  H   UNL     1       5.308  -3.481  -0.795  1.00  0.00           H  
HETATM   26  H   UNL     1       5.806  -2.232  -1.961  1.00  0.00           H  
HETATM   27  H   UNL     1       6.849  -2.619  -0.571  1.00  0.00           H  
HETATM   28  H   UNL     1       6.149  -1.966   1.737  1.00  0.00           H  
HETATM   29  H   UNL     1       4.607  -1.113   1.991  1.00  0.00           H  
HETATM   30  H   UNL     1       4.608  -2.828   1.513  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.420  -0.314  -1.738  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.783  -0.975  -1.948  1.00  0.00           H  
HETATM   33  H   UNL     1       1.301  -0.797  -0.990  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.261   3.027   1.026  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.106   0.855   2.306  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.470   0.202   2.095  1.00  0.00           H  
HETATM   37  H   UNL     1       0.020   5.114   0.115  1.00  0.00           H  
CONECT    1    9    2   13   13                                       
CONECT    2    4   11    1   21                                       
CONECT    3   17   11   18   18                                       
CONECT    4   19   19   12    2                                       
CONECT    5    6   17    8    7                                       
CONECT    6    5   22   23   24                                       
CONECT    7    5   25   26   27                                       
CONECT    8    5   28   29   30                                       
CONECT    9   10   10    1   31                                       
CONECT   10    9    9   15   32                                       
CONECT   11    2    3   33                                            
CONECT   12   20    4   34                                            
CONECT   13    1    1   16   35                                       
CONECT   14   15                                                      
CONECT   15   10   14   16   16                                       
CONECT   16   15   15   13   36                                       
CONECT   17    5    3                                                 
CONECT   18    3    3                                                 
CONECT   19    4    4                                                 
CONECT   20   12   37                                                 
CONECT   21    2                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
