COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.773   1.672  -0.023  1.00  0.00           C  
HETATM    2  C   UNL     1       2.529  -0.975   0.091  1.00  0.00           C  
HETATM    3  C   UNL     1       0.735  -2.549  -0.197  1.00  0.00           C  
HETATM    4  C   UNL     1       1.657  -3.594  -0.216  1.00  0.00           C  
HETATM    5  C   UNL     1       3.005  -3.330  -0.082  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714  -2.834  -0.340  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.157  -4.147  -0.493  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.506  -4.406  -0.625  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.418  -3.366  -0.605  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.984  -2.062  -0.454  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.638  -1.791  -0.316  1.00  0.00           C  
HETATM   12  C   UNL     1       1.948   3.179  -2.904  1.00  0.00           C  
HETATM   13  C   UNL     1       0.611   1.749   0.191  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.626   1.415   0.707  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.684   2.263  -1.270  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.449   2.599  -1.790  1.00  0.00           C  
HETATM   17  C   UNL     1       0.703   2.342  -1.059  1.00  0.00           C  
HETATM   18  C   UNL     1       3.446  -2.025   0.071  1.00  0.00           C  
HETATM   19  C   UNL     1       1.176  -1.236  -0.043  1.00  0.00           C  
HETATM   20  N   UNL     1       2.976   0.342   0.251  1.00  0.00           N  
HETATM   21  O   UNL     1       2.811   2.636   1.147  1.00  0.00           O  
HETATM   22  O   UNL     1       1.919   2.672  -1.569  1.00  0.00           O  
HETATM   23  O   UNL     1       4.775  -1.768   0.202  1.00  0.00           O  
HETATM   24  O   UNL     1       1.654   0.742   2.297  1.00  0.00           O  
HETATM   25  S   UNL     1       2.071   1.423   1.122  1.00  0.00           S  
HETATM   26 BR   UNL     1      -3.465   1.207   0.682  1.00  0.00          Br  
HETATM   27  H   UNL     1       1.316  -4.612  -0.335  1.00  0.00           H  
HETATM   28  H   UNL     1       3.717  -4.141  -0.096  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.446  -4.959  -0.509  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.850  -5.423  -0.744  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.473  -3.574  -0.710  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.701  -1.254  -0.436  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.300  -0.772  -0.198  1.00  0.00           H  
HETATM   34  H   UNL     1       1.475   2.463  -3.575  1.00  0.00           H  
HETATM   35  H   UNL     1       1.408   4.126  -2.944  1.00  0.00           H  
HETATM   36  H   UNL     1       2.982   3.337  -3.211  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.698   0.953   1.681  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.580   2.462  -1.839  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.379   3.060  -2.764  1.00  0.00           H  
HETATM   40  H   UNL     1       0.464  -0.425  -0.028  1.00  0.00           H  
HETATM   41  H   UNL     1       3.815   0.622  -0.147  1.00  0.00           H  
HETATM   42  H   UNL     1       5.088  -1.772   1.117  1.00  0.00           H  
CONECT    1   26   14   14   15                                       
CONECT    2   19   20   18   18                                       
CONECT    3    6   19   19    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4   18   28                                       
CONECT    6   11    7    7    3                                       
CONECT    7    6    6    8   29                                       
CONECT    8    9    9    7   30                                       
CONECT    9   10    8    8   31                                       
CONECT   10   11   11    9   32                                       
CONECT   11   10   10    6   33                                       
CONECT   12   22   34   35   36                                       
CONECT   13   14   25   17   17                                       
CONECT   14    1    1   13   37                                       
CONECT   15    1   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   13   13   16   22                                       
CONECT   18    2    2    5   23                                       
CONECT   19    3    3    2   40                                       
CONECT   20   25    2   41                                            
CONECT   21   25   25                                                 
CONECT   22   17   12                                                 
CONECT   23   18   42                                                 
CONECT   24   25   25                                                 
CONECT   25   24   24   21   21                                       
CONECT   25   13   20                                                 
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
