COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.098  -2.987  -3.013  1.00  0.00           C  
HETATM    2  O   UNL     1       1.859  -2.637  -1.648  1.00  0.00           O  
HETATM    3  C   UNL     1       2.238  -1.393  -1.255  1.00  0.00           C  
HETATM    4  C   UNL     1       2.727  -0.488  -2.187  1.00  0.00           C  
HETATM    5  C   UNL     1       3.112   0.776  -1.785  1.00  0.00           C  
HETATM    6  C   UNL     1       3.010   1.141  -0.454  1.00  0.00           C  
HETATM    7 BR   UNL     1       3.539   2.872   0.093  1.00  0.00          Br  
HETATM    8  C   UNL     1       2.523   0.241   0.476  1.00  0.00           C  
HETATM    9  C   UNL     1       2.132  -1.023   0.078  1.00  0.00           C  
HETATM   10  S   UNL     1       1.505  -2.166   1.263  1.00  0.00           S  
HETATM   11  O   UNL     1       2.223  -3.377   1.071  1.00  0.00           O  
HETATM   12  O   UNL     1       1.463  -1.475   2.504  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.068  -2.485   0.851  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.018  -1.459   0.874  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.903  -1.310  -0.187  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.842  -0.295  -0.162  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.716  -0.134  -1.191  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.016   0.359  -0.860  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.738   0.791  -2.138  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.819  -0.746  -0.171  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.889   1.540   0.068  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.713   2.430   0.037  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.855   1.602   0.935  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.897   0.575   0.926  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.015   0.423   1.983  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.080  -0.595   1.959  1.00  0.00           C  
HETATM   27  H   UNL     1       1.829  -4.031  -3.172  1.00  0.00           H  
HETATM   28  H   UNL     1       1.493  -2.353  -3.662  1.00  0.00           H  
HETATM   29  H   UNL     1       3.153  -2.844  -3.245  1.00  0.00           H  
HETATM   30  H   UNL     1       2.807  -0.773  -3.226  1.00  0.00           H  
HETATM   31  H   UNL     1       3.493   1.480  -2.510  1.00  0.00           H  
HETATM   32  H   UNL     1       2.445   0.528   1.515  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.329  -3.384   0.595  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.857  -1.985  -1.029  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.833  -0.064  -2.809  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.729   1.166  -1.886  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.166   1.577  -2.631  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.305  -1.055   0.739  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.811  -0.371   0.082  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.914  -1.600  -0.842  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.776   2.345   1.554  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.059   1.097   2.826  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.393  -0.715   2.784  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3                                                 
CONECT    3    4    2    9    9                                       
CONECT    4    5    5    3   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   32                                       
CONECT    9    3    3    8   10                                       
CONECT   10    9   12   12   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   33                                            
CONECT   14   26   13   15   15                                       
CONECT   15   14   14   16   34                                       
CONECT   16   24   24   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   21   19   20                                       
CONECT   19   18   35   36   37                                       
CONECT   20   18   38   39   40                                       
CONECT   21   23   22   22   18                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   41                                            
CONECT   24   25   23   16   16                                       
CONECT   25   26   26   24   42                                       
CONECT   26   25   25   14   43                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
