COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.243   4.716  -0.435  1.00  0.00           C  
HETATM    2  C   UNL     1       7.372   0.774  -2.386  1.00  0.00           C  
HETATM    3  O   UNL     1       2.090  -2.784   0.289  1.00  0.00           O  
HETATM    4  O   UNL     1       2.044   1.432   1.862  1.00  0.00           O  
HETATM    5 BR   UNL     1      -4.570  -1.946  -0.369  1.00  0.00          Br  
HETATM    6  C   UNL     1      -0.686   1.520   0.731  1.00  0.00           C  
HETATM    7  C   UNL     1       5.894   1.291  -0.434  1.00  0.00           C  
HETATM    8  C   UNL     1       5.965  -0.958  -1.252  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.655   0.888  -0.628  1.00  0.00           C  
HETATM   10  C   UNL     1       4.983   0.910   0.534  1.00  0.00           C  
HETATM   11  C   UNL     1       5.050  -1.337  -0.288  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.156   2.174  -0.554  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.579   0.004   0.182  1.00  0.00           C  
HETATM   14  C   UNL     1       3.568  -0.819   1.661  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.369   3.656  -0.040  1.00  0.00           O  
HETATM   16  S   UNL     1       0.002  -1.123   0.026  1.00  0.00           S  
HETATM   17  C   UNL     1       6.383   0.358  -1.328  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.869  -0.193  -0.261  1.00  0.00           C  
HETATM   19  C   UNL     1       4.561  -0.404   0.607  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.059   1.302   0.261  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.861   2.393  -0.112  1.00  0.00           C  
HETATM   22  C   UNL     1       1.614  -1.684   0.501  1.00  0.00           C  
HETATM   23  C   UNL     1       1.557   0.473   1.292  1.00  0.00           C  
HETATM   24  C   UNL     1       0.205   0.496   0.725  1.00  0.00           C  
HETATM   25  N   UNL     1       2.208  -0.669   1.138  1.00  0.00           N  
HETATM   26  H   UNL     1      -3.537   4.575  -1.475  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.130   4.710   0.197  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.727   5.670  -0.329  1.00  0.00           H  
HETATM   29  H   UNL     1       8.385   0.666  -2.000  1.00  0.00           H  
HETATM   30  H   UNL     1       7.249   0.143  -3.267  1.00  0.00           H  
HETATM   31  H   UNL     1       7.196   1.815  -2.658  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.385   2.496   1.083  1.00  0.00           H  
HETATM   33  H   UNL     1       6.220   2.319  -0.493  1.00  0.00           H  
HETATM   34  H   UNL     1       6.347  -1.687  -1.951  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.667   0.725  -0.970  1.00  0.00           H  
HETATM   36  H   UNL     1       4.601   1.640   1.233  1.00  0.00           H  
HETATM   37  H   UNL     1       4.717  -2.364  -0.234  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.775   3.011  -0.842  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.970  -0.841   0.467  1.00  0.00           H  
HETATM   40  H   UNL     1       3.739  -1.861   1.932  1.00  0.00           H  
HETATM   41  H   UNL     1       3.690  -0.190   2.543  1.00  0.00           H  
CONECT    1   15   26   27   28                                       
CONECT    2   29   30   31   17                                       
CONECT    3   22   22                                                 
CONECT    4   23   23                                                 
CONECT    5   18                                                      
CONECT    6   24   24   32   20                                       
CONECT    7   17   33   10   10                                       
CONECT    8   34   11   17   17                                       
CONECT    9   12   12   18   35                                       
CONECT   10    7    7   19   36                                       
CONECT   11    8   37   19   19                                       
CONECT   12    9    9   21   38                                       
CONECT   13   20   39   18   18                                       
CONECT   14   19   40   41   25                                       
CONECT   15    1   21                                                 
CONECT   16   22   24                                                 
CONECT   17    7    2    8    8                                       
CONECT   18    5    9   13   13                                       
CONECT   19   10   14   11   11                                       
CONECT   20   13    6   21   21                                       
CONECT   21   12   15   20   20                                       
CONECT   22   16    3    3   25                                       
CONECT   23    4    4   25   24                                       
CONECT   24    6    6   16   23                                       
CONECT   25   22   23   14                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
