COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.383   0.005  -2.987  1.00  0.00           C  
HETATM    2  C   UNL     1       0.862   0.013  -1.724  1.00  0.00           C  
HETATM    3  C   UNL     1       0.319  -0.006  -3.890  1.00  0.00           C  
HETATM    4  C   UNL     1       0.440  -0.014  -5.392  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.422  -0.002  -0.794  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.578   0.762  -0.883  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.488   0.759   0.155  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.249  -0.004   1.283  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.096  -0.762   1.377  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.185  -0.767   0.339  1.00  0.00           C  
HETATM   11  C   UNL     1       1.628   0.028  -0.459  1.00  0.00           C  
HETATM   12  C   UNL     1       2.785  -0.741  -0.332  1.00  0.00           C  
HETATM   13  C   UNL     1       3.496  -0.724   0.849  1.00  0.00           C  
HETATM   14  C   UNL     1       3.063   0.054   1.909  1.00  0.00           C  
HETATM   15  C   UNL     1       1.916   0.820   1.789  1.00  0.00           C  
HETATM   16  C   UNL     1       1.200   0.815   0.610  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.498  -0.001  -1.847  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.802  -0.010  -3.214  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.494  -1.224   2.313  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.148   1.203   2.475  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.685  -0.404   3.760  1.00  0.00           O  
HETATM   22 BR   UNL     1       4.043   0.072   3.526  1.00  0.00          Br  
HETATM   23  F   UNL     1      -0.836  -0.026  -5.963  1.00  0.00           F  
HETATM   24  F   UNL     1       1.127   1.130  -5.810  1.00  0.00           F  
HETATM   25  F   UNL     1       1.143  -1.154  -5.797  1.00  0.00           F  
HETATM   26  S   UNL     1      -4.413  -0.005   2.606  1.00  0.00           S  
HETATM   27  H   UNL     1       2.433   0.011  -3.242  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.765   1.358  -1.764  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.387   1.354   0.086  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.912  -1.356   2.259  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.287  -1.363   0.411  1.00  0.00           H  
HETATM   32  H   UNL     1       3.124  -1.349  -1.158  1.00  0.00           H  
HETATM   33  H   UNL     1       4.391  -1.319   0.948  1.00  0.00           H  
HETATM   34  H   UNL     1       1.583   1.426   2.619  1.00  0.00           H  
HETATM   35  H   UNL     1       0.305   1.413   0.517  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.221  -1.388   2.934  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.404  -1.772   1.517  1.00  0.00           H  
CONECT    1    2    2    3   27                                       
CONECT    2    1    1   11   17                                       
CONECT    3    1    4   18   18                                       
CONECT    4    3   23   24   25                                       
CONECT    5    6    6   10   17                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7    9   26                                       
CONECT    9    8   10   10   30                                       
CONECT   10    5    9    9   31                                       
CONECT   11    2   12   12   16                                       
CONECT   12   11   11   13   32                                       
CONECT   13   12   14   14   33                                       
CONECT   14   13   13   15   22                                       
CONECT   15   14   16   16   34                                       
CONECT   16   11   15   15   35                                       
CONECT   17    2    5   18                                            
CONECT   18    3    3   17                                            
CONECT   19   26   36   37                                            
CONECT   20   26   26                                                 
CONECT   21   26   26                                                 
CONECT   22   14                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    8   19   20   20                                       
CONECT   26   21   21                                                 
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
