COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.016  -0.850   0.715  1.00  0.00           C  
HETATM    2  C   UNL     1       0.469  -0.959  -0.558  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.379   0.022  -1.038  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.688   1.117  -0.256  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.144   1.236   1.025  1.00  0.00           C  
HETATM    6  C   UNL     1       0.711   0.246   1.509  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.474   2.406   1.864  1.00  0.00           C  
HETATM    8  C   UNL     1       5.975   0.924  -0.575  1.00  0.00           C  
HETATM    9  C   UNL     1       6.159   0.098   0.519  1.00  0.00           C  
HETATM   10  C   UNL     1       5.270  -0.933   0.764  1.00  0.00           C  
HETATM   11  C   UNL     1       4.198  -1.138  -0.084  1.00  0.00           C  
HETATM   12  C   UNL     1       4.013  -0.313  -1.178  1.00  0.00           C  
HETATM   13  C   UNL     1       4.902   0.719  -1.424  1.00  0.00           C  
HETATM   14 CL   UNL     1       4.670   1.756  -2.796  1.00  0.00          Cl  
HETATM   15 CL   UNL     1       7.506   0.354   1.584  1.00  0.00          Cl  
HETATM   16  S   UNL     1       3.066  -2.452   0.228  1.00  0.00           S  
HETATM   17  N   UNL     1       1.867  -1.847   1.197  1.00  0.00           N  
HETATM   18  O   UNL     1       2.456  -2.761  -1.018  1.00  0.00           O  
HETATM   19  O   UNL     1       3.768  -3.409   1.009  1.00  0.00           O  
HETATM   20  O   UNL     1       0.149   2.585   3.045  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.307   3.207   1.489  1.00  0.00           O  
HETATM   22  S   UNL     1      -1.768   2.364  -0.875  1.00  0.00           S  
HETATM   23  O   UNL     1      -1.095   3.602  -0.695  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.229   1.905  -2.138  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.092   2.403   0.120  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.974   1.319   0.151  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.506   0.034  -0.090  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.381  -1.036  -0.058  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.723  -0.827   0.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.191   0.454   0.455  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.319   1.525   0.430  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.829   2.918   0.698  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.576  -1.874   0.245  1.00  0.00           F  
HETATM   34 BR   UNL     1      -3.745  -2.786  -0.386  1.00  0.00          Br  
HETATM   35  H   UNL     1       0.707  -1.813  -1.175  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.800  -0.068  -2.028  1.00  0.00           H  
HETATM   37  H   UNL     1       1.134   0.332   2.499  1.00  0.00           H  
HETATM   38  H   UNL     1       6.666   1.732  -0.764  1.00  0.00           H  
HETATM   39  H   UNL     1       5.413  -1.579   1.618  1.00  0.00           H  
HETATM   40  H   UNL     1       3.176  -0.473  -1.840  1.00  0.00           H  
HETATM   41  H   UNL     1       1.757  -2.184   2.100  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.152   3.323   3.593  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.255   3.178   0.680  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.460  -0.129  -0.302  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.238   0.615   0.667  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.140   3.378  -0.240  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.679   2.869   1.378  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.036   3.514   1.149  1.00  0.00           H  
CONECT    1    6   17    2    2                                       
CONECT    2    1    1    3   35                                       
CONECT    3    4    4    2   36                                       
CONECT    4    5   22    3    3                                       
CONECT    5    7    6    6    4                                       
CONECT    6    5    5    1   37                                       
CONECT    7   21   21   20    5                                       
CONECT    8   13   13    9   38                                       
CONECT    9    8   15   10   10                                       
CONECT   10    9    9   11   39                                       
CONECT   11   12   12   10   16                                       
CONECT   12   13   11   11   40                                       
CONECT   13   14    8    8   12                                       
CONECT   14   13                                                      
CONECT   15    9                                                      
CONECT   16   11   17   18   18                                       
CONECT   16   19   19                                                 
CONECT   17    1   16   41                                            
CONECT   18   16   16                                                 
CONECT   19   16   16                                                 
CONECT   20    7   42                                                 
CONECT   21    7    7                                                 
CONECT   22   23   23    4   25                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   43                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   44                                       
CONECT   28   27   34   29   29                                       
CONECT   29   28   28   30   33                                       
CONECT   30   31   31   29   45                                       
CONECT   31   26   32   30   30                                       
CONECT   32   31   46   47   48                                       
CONECT   33   29                                                      
CONECT   34   28                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   30                                                      
CONECT   46   32                                                      
CONECT   47   32                                                      
CONECT   48   32                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
