COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.954   1.962   0.737  1.00  0.00           C  
HETATM    2  C   UNL     1       0.078   1.863  -0.357  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.214   2.898  -1.464  1.00  0.00           C  
HETATM    4  C   UNL     1       1.905   3.471  -0.640  1.00  0.00           C  
HETATM    5 BR   UNL     1      -5.066  -1.878  -0.336  1.00  0.00          Br  
HETATM    6  C   UNL     1      -4.067   0.188   1.392  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.087   1.109   1.656  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.085   1.119   0.719  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.882  -0.538   0.279  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.809   2.764   1.638  1.00  0.00           O  
HETATM   11  N   UNL     1       0.631   4.069  -1.115  1.00  0.00           N  
HETATM   12  O   UNL     1       5.433  -2.536  -1.704  1.00  0.00           O  
HETATM   13  C   UNL     1       5.163  -2.095  -0.602  1.00  0.00           C  
HETATM   14  N   UNL     1       5.725  -2.607   0.517  1.00  0.00           N  
HETATM   15  C   UNL     1       5.414  -2.104   1.740  1.00  0.00           C  
HETATM   16  N   UNL     1       4.580  -1.125   1.918  1.00  0.00           N  
HETATM   17  C   UNL     1       3.951  -0.527   0.875  1.00  0.00           C  
HETATM   18  C   UNL     1       3.055   0.526   1.066  1.00  0.00           C  
HETATM   19  C   UNL     1       4.218  -0.980  -0.436  1.00  0.00           C  
HETATM   20  C   UNL     1       3.585  -0.383  -1.523  1.00  0.00           C  
HETATM   21  C   UNL     1       2.699   0.651  -1.309  1.00  0.00           C  
HETATM   22  C   UNL     1       2.439   1.103  -0.022  1.00  0.00           C  
HETATM   23  C   UNL     1       1.472   2.240   0.186  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.437  -0.089  -0.510  1.00  0.00           S  
HETATM   25  H   UNL     1       0.093   0.856  -0.772  1.00  0.00           H  
HETATM   26  H   UNL     1       0.069   2.501  -2.439  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.269   3.175  -1.457  1.00  0.00           H  
HETATM   28  H   UNL     1       2.520   3.164  -1.485  1.00  0.00           H  
HETATM   29  H   UNL     1       2.448   4.177  -0.012  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.923   0.052   2.036  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.102   1.763   2.516  1.00  0.00           H  
HETATM   32  H   UNL     1       0.786   4.656  -1.921  1.00  0.00           H  
HETATM   33  H   UNL     1       6.356  -3.340   0.446  1.00  0.00           H  
HETATM   34  H   UNL     1       5.884  -2.540   2.609  1.00  0.00           H  
HETATM   35  H   UNL     1       2.844   0.886   2.062  1.00  0.00           H  
HETATM   36  H   UNL     1       3.786  -0.727  -2.527  1.00  0.00           H  
HETATM   37  H   UNL     1       2.207   1.117  -2.150  1.00  0.00           H  
HETATM   38  H   UNL     1       1.410   2.496   1.244  1.00  0.00           H  
CONECT    1    8    2   10   10                                       
CONECT    2    3    1   23   25                                       
CONECT    3    2   11   26   27                                       
CONECT    4   11   23   28   29                                       
CONECT    5    9                                                      
CONECT    6    9    9    7   30                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7   24    1                                       
CONECT    9    5    6    6   24                                       
CONECT   10    1    1                                                 
CONECT   11    3    4   32                                            
CONECT   12   13   13                                                 
CONECT   13   14   19   12   12                                       
CONECT   14   15   13   33                                            
CONECT   15   16   16   14   34                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   22   35                                       
CONECT   19   17   13   20   20                                       
CONECT   20   19   19   21   36                                       
CONECT   21   22   22   20   37                                       
CONECT   22   18   23   21   21                                       
CONECT   23    2    4   22   38                                       
CONECT   24    9    8                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
