COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.270  -0.619  -0.452  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.291   0.570  -0.608  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.804   0.107   1.939  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.941  -1.564  -1.504  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.926  -1.482  -2.439  1.00  0.00           C  
HETATM    6  O   UNL     1       1.785   2.852  -1.591  1.00  0.00           O  
HETATM    7  S   UNL     1       1.208   1.559  -1.709  1.00  0.00           S  
HETATM    8  C   UNL     1       1.737   0.647  -0.297  1.00  0.00           C  
HETATM    9  C   UNL     1       1.619   1.198   0.967  1.00  0.00           C  
HETATM   10 BR   UNL     1       0.890   2.930   1.179  1.00  0.00          Br  
HETATM   11  C   UNL     1       2.035   0.482   2.075  1.00  0.00           C  
HETATM   12  C   UNL     1       2.568  -0.784   1.920  1.00  0.00           C  
HETATM   13  C   UNL     1       2.686  -1.335   0.657  1.00  0.00           C  
HETATM   14 BR   UNL     1       3.414  -3.067   0.445  1.00  0.00          Br  
HETATM   15  N   UNL     1      -0.430   1.763  -1.574  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.273   0.650  -1.548  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.126  -0.538  -0.586  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.153  -0.622   0.361  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.359   0.344   1.446  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.036  -1.368   1.540  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.077  -1.597   0.392  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.134  -2.526  -0.386  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.093  -0.380  -2.464  1.00  0.00           C  
HETATM   24  O   UNL     1       1.416   0.714  -2.833  1.00  0.00           O  
HETATM   25  H   UNL     1       2.358  -1.051  -1.438  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.430   1.367   0.107  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.874   0.235   3.019  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.504   0.765   1.424  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.590  -2.426  -1.487  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.785  -2.281  -3.152  1.00  0.00           H  
HETATM   31  H   UNL     1       1.943   0.912   3.061  1.00  0.00           H  
HETATM   32  H   UNL     1       2.892  -1.343   2.785  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.250   1.361   1.072  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.650   0.160   2.254  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.799  -2.031   2.373  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.065  -1.518   1.213  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.302  -0.319  -3.196  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.804   2.656  -1.513  1.00  0.00           H  
CONECT    1    8    8   13   25                                       
CONECT    2   16   16   17   26                                       
CONECT    3   19   20   27   28                                       
CONECT    4    5   17   17   29                                       
CONECT    5    4   23   23   30                                       
CONECT    6    7    7                                                 
CONECT    7    6    6    8   15                                       
CONECT    7   24   24                                                 
CONECT    8    1    1    7    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   31                                       
CONECT   12   11   13   13   32                                       
CONECT   13    1   12   12   14                                       
CONECT   14   13                                                      
CONECT   15    7   16   38                                            
CONECT   16    2    2   15   23                                       
CONECT   17    2    4    4   18                                       
CONECT   18   17   19   21                                            
CONECT   19    3   18   33   34                                       
CONECT   20    3   21   35   36                                       
CONECT   21   18   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    5    5   16   37                                       
CONECT   24    7    7                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   23                                                      
CONECT   38   15                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
