COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.695   2.436   0.869  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.377  -1.318   0.676  1.00  0.00           C  
HETATM    3  C   UNL     1       4.435   3.699   0.424  1.00  0.00           C  
HETATM    4  O   UNL     1       2.422   2.795   1.409  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.474  -0.433   0.280  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.799  -0.891   0.322  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.205   0.879  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.826  -0.054  -0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.240   1.706  -0.508  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.552   1.244  -0.470  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.568   2.065  -0.838  1.00  0.00           O  
HETATM   12 BR   UNL     1      -5.613  -0.670   0.004  1.00  0.00          Br  
HETATM   13  C   UNL     1       2.662   0.326   0.076  1.00  0.00           C  
HETATM   14  C   UNL     1       2.145  -1.705   0.760  1.00  0.00           C  
HETATM   15  C   UNL     1       5.060  -1.785  -0.765  1.00  0.00           C  
HETATM   16  C   UNL     1       3.496   1.512  -0.334  1.00  0.00           C  
HETATM   17  C   UNL     1       0.929  -0.910   0.516  1.00  0.00           C  
HETATM   18  C   UNL     1       4.597  -1.218   0.553  1.00  0.00           C  
HETATM   19  N   UNL     1       2.811   2.245  -1.407  1.00  0.00           N  
HETATM   20  N   UNL     1       1.366   0.316   0.098  1.00  0.00           N  
HETATM   21  N   UNL     1       3.174  -0.879   0.465  1.00  0.00           N  
HETATM   22  O   UNL     1       2.210  -2.859   1.145  1.00  0.00           O  
HETATM   23  O   UNL     1       4.282  -1.894  -1.682  1.00  0.00           O  
HETATM   24  H   UNL     1       4.281   1.921   1.630  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.591  -2.291   1.093  1.00  0.00           H  
HETATM   26  H   UNL     1       4.576   4.358   1.282  1.00  0.00           H  
HETATM   27  H   UNL     1       5.406   3.426   0.012  1.00  0.00           H  
HETATM   28  H   UNL     1       3.849   4.215  -0.337  1.00  0.00           H  
HETATM   29  H   UNL     1       1.846   3.258   0.786  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.013  -1.899   0.646  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.188   1.239  -0.167  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.034   2.716  -0.830  1.00  0.00           H  
HETATM   33  H   UNL     1       4.466   1.167  -0.692  1.00  0.00           H  
HETATM   34  H   UNL     1       4.747  -1.958   1.339  1.00  0.00           H  
HETATM   35  H   UNL     1       5.170  -0.321   0.784  1.00  0.00           H  
HETATM   36  H   UNL     1       1.908   2.575  -1.100  1.00  0.00           H  
HETATM   37  H   UNL     1       3.379   3.008  -1.744  1.00  0.00           H  
HETATM   38  O   UNL     1       6.337  -2.167  -0.919  1.00  0.00           O  
HETATM   39  H   UNL     1       6.588  -2.525  -1.782  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.788   2.021  -1.778  1.00  0.00           H  
CONECT    1   16    4    3   24                                       
CONECT    2   17   17    5   25                                       
CONECT    3    1   26   27   28                                       
CONECT    4    1   29                                                 
CONECT    5    2    7    6    6                                       
CONECT    6    5    5    8   30                                       
CONECT    7    5    9    9   31                                       
CONECT    8    6   10   10   12                                       
CONECT    9    7    7   10   32                                       
CONECT   10    9    8    8   11                                       
CONECT   11   10   40                                                 
CONECT   12    8                                                      
CONECT   13   21   16   20   20                                       
CONECT   14   22   22   21   17                                       
CONECT   15   23   23   18   38                                       
CONECT   16   19   13    1   33                                       
CONECT   17   14    2    2   20                                       
CONECT   18   15   21   34   35                                       
CONECT   19   16   36   37                                            
CONECT   20   17   13   13                                            
CONECT   21   18   14   13                                            
CONECT   22   14   14                                                 
CONECT   23   15   15                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   15   39                                                 
CONECT   39   38                                                      
CONECT   40   11                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
