COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.697  -3.501   0.231  1.00  0.00           O  
HETATM    2  N   UNL     1       5.245  -1.319   0.785  1.00  0.00           N  
HETATM    3  O   UNL     1       4.126  -1.711   1.021  1.00  0.00           O  
HETATM    4  C   UNL     1       1.527  -2.666  -0.625  1.00  0.00           C  
HETATM    5  C   UNL     1       1.062  -1.283  -0.247  1.00  0.00           C  
HETATM    6  C   UNL     1       1.725  -0.863   1.066  1.00  0.00           C  
HETATM    7  C   UNL     1       3.888   0.367   0.480  1.00  0.00           C  
HETATM    8  C   UNL     1       5.246  -0.055   0.439  1.00  0.00           C  
HETATM    9  C   UNL     1       6.426   0.770   0.078  1.00  0.00           C  
HETATM   10  C   UNL     1       6.263   2.110  -0.264  1.00  0.00           C  
HETATM   11  C   UNL     1       7.364   2.873  -0.600  1.00  0.00           C  
HETATM   12  C   UNL     1       8.627   2.308  -0.597  1.00  0.00           C  
HETATM   13  C   UNL     1       8.794   0.977  -0.259  1.00  0.00           C  
HETATM   14  C   UNL     1       7.701   0.207   0.084  1.00  0.00           C  
HETATM   15  C   UNL     1       3.213  -0.742   0.861  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.458  -1.286  -0.073  1.00  0.00           C  
HETATM   17  P   UNL     1      -1.076   0.429  -0.097  1.00  0.00           P  
HETATM   18  O   UNL     1      -0.517   1.219   1.189  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.611   1.103  -1.331  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.889   0.419  -0.060  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.556   0.446   1.150  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.938   0.444   1.179  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.654   0.414  -0.004  1.00  0.00           C  
HETATM   24 BR   UNL     1      -7.544   0.412   0.034  1.00  0.00          Br  
HETATM   25  C   UNL     1      -4.986   0.387  -1.216  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.604   0.389  -1.243  1.00  0.00           C  
HETATM   27  H   UNL     1       1.337  -0.580  -1.033  1.00  0.00           H  
HETATM   28  H   UNL     1       1.323   0.098   1.386  1.00  0.00           H  
HETATM   29  H   UNL     1       1.524  -1.614   1.831  1.00  0.00           H  
HETATM   30  H   UNL     1       3.488   1.346   0.258  1.00  0.00           H  
HETATM   31  H   UNL     1       5.278   2.552  -0.267  1.00  0.00           H  
HETATM   32  H   UNL     1       7.239   3.912  -0.865  1.00  0.00           H  
HETATM   33  H   UNL     1       9.485   2.908  -0.860  1.00  0.00           H  
HETATM   34  H   UNL     1       9.781   0.541  -0.258  1.00  0.00           H  
HETATM   35  H   UNL     1       7.832  -0.831   0.353  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.916  -1.849  -0.886  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.713  -1.751   0.879  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.783   0.832   2.034  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.997   0.469   2.074  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.458   0.466   2.125  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.545   0.363  -2.140  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.083   0.371  -2.189  1.00  0.00           H  
HETATM   43  O   UNL     1       1.753  -2.969  -1.913  1.00  0.00           O  
HETATM   44  H   UNL     1       2.050  -3.869  -2.106  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    3    8    8                                            
CONECT    3   15    2                                                 
CONECT    4    5    1    1   43                                       
CONECT    5   16    6    4   27                                       
CONECT    6    5   15   28   29                                       
CONECT    7   15   15    8   30                                       
CONECT    8    7    9    2    2                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   31                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   13   13   33                                       
CONECT   13   12   12   14   34                                       
CONECT   14    9    9   13   35                                       
CONECT   15    6    7    7    3                                       
CONECT   16   17    5   36   37                                       
CONECT   17   20   19   19   18                                       
CONECT   17   16                                                      
CONECT   18   17   38                                                 
CONECT   19   17   17                                                 
CONECT   20   21   21   26   17                                       
CONECT   21   22   20   20   39                                       
CONECT   22   23   23   21   40                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23                                                      
CONECT   25   23   26   26   41                                       
CONECT   26   25   25   20   42                                       
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43    4   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
