COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.251   0.931   0.228  1.00  0.00           C  
HETATM    2  C   UNL     1       5.390  -0.332   0.164  1.00  0.00           C  
HETATM    3  C   UNL     1       3.956   0.050  -0.098  1.00  0.00           C  
HETATM    4  O   UNL     1       3.526   0.051  -1.232  1.00  0.00           O  
HETATM    5  N   UNL     1       3.151   0.389   0.928  1.00  0.00           N  
HETATM    6  C   UNL     1       1.855   0.855   0.677  1.00  0.00           C  
HETATM    7  C   UNL     1       1.554   1.451  -0.539  1.00  0.00           C  
HETATM    8  C   UNL     1       0.274   1.910  -0.785  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.707   1.775   0.180  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.412   1.181   1.394  1.00  0.00           C  
HETATM   11  C   UNL     1       0.865   0.716   1.643  1.00  0.00           C  
HETATM   12 CL   UNL     1       1.237  -0.029   3.167  1.00  0.00          Cl  
HETATM   13  S   UNL     1      -2.338   2.361  -0.137  1.00  0.00           S  
HETATM   14  O   UNL     1      -2.932   2.601   1.131  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.217   3.361  -1.140  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.238   1.033  -0.865  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.244   0.872  -2.238  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.950  -0.170  -2.809  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.650  -1.053  -2.008  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -0.892  -0.634  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.933   0.148  -0.062  1.00  0.00           C  
HETATM   22 BR   UNL     1      -5.602  -2.099   0.463  1.00  0.00          Br  
HETATM   23  C   UNL     1       5.892  -1.234  -0.966  1.00  0.00           C  
HETATM   24  F   UNL     1       5.105  -2.389  -1.025  1.00  0.00           F  
HETATM   25  F   UNL     1       5.806  -0.549  -2.183  1.00  0.00           F  
HETATM   26  F   UNL     1       7.223  -1.589  -0.723  1.00  0.00           F  
HETATM   27  O   UNL     1       5.477  -1.033   1.406  1.00  0.00           O  
HETATM   28  H   UNL     1       5.893   1.573   1.033  1.00  0.00           H  
HETATM   29  H   UNL     1       7.288   0.655   0.417  1.00  0.00           H  
HETATM   30  H   UNL     1       6.184   1.465  -0.720  1.00  0.00           H  
HETATM   31  H   UNL     1       3.470   0.311   1.841  1.00  0.00           H  
HETATM   32  H   UNL     1       2.320   1.558  -1.294  1.00  0.00           H  
HETATM   33  H   UNL     1       0.039   2.374  -1.731  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.181   1.074   2.144  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.697   1.561  -2.865  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.954  -0.295  -3.882  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.202  -1.866  -2.455  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.925   0.271   1.010  1.00  0.00           H  
HETATM   39  H   UNL     1       4.955  -1.846   1.437  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2   23   27    3    1                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   31                                            
CONECT    6   11    5    7    7                                       
CONECT    7    6    6    8   32                                       
CONECT    8    9    9    7   33                                       
CONECT    9   10   13    8    8                                       
CONECT   10   11   11    9   34                                       
CONECT   11   12   10   10    6                                       
CONECT   12   11                                                      
CONECT   13   14   14   16    9                                       
CONECT   13   15   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   13   21   21                                       
CONECT   17   18   18   16   35                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20   37                                       
CONECT   20   19   19   21   22                                       
CONECT   21   16   16   20   38                                       
CONECT   22   20                                                      
CONECT   23   25   24   26    2                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    2   39                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   27                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
