COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.981   0.011   0.101  1.00  0.00           C  
HETATM    2  C   UNL     1       5.079  -0.393   1.444  1.00  0.00           C  
HETATM    3  C   UNL     1       5.933   0.255   2.281  1.00  0.00           C  
HETATM    4  C   UNL     1       6.716   1.316   1.828  1.00  0.00           C  
HETATM    5  C   UNL     1       6.647   1.735   0.535  1.00  0.00           C  
HETATM    6  C   UNL     1       5.777   1.089  -0.360  1.00  0.00           C  
HETATM    7  C   UNL     1       5.679   1.493  -1.702  1.00  0.00           C  
HETATM    8  C   UNL     1       4.824   0.844  -2.540  1.00  0.00           C  
HETATM    9  C   UNL     1       4.042  -0.216  -2.086  1.00  0.00           C  
HETATM   10  C   UNL     1       4.114  -0.638  -0.794  1.00  0.00           C  
HETATM   11  S   UNL     1       3.119  -1.985  -0.246  1.00  0.00           S  
HETATM   12  O   UNL     1       2.316  -2.368  -1.354  1.00  0.00           O  
HETATM   13  O   UNL     1       3.993  -2.881   0.428  1.00  0.00           O  
HETATM   14  N   UNL     1       2.082  -1.393   0.901  1.00  0.00           N  
HETATM   15  C   UNL     1       1.121  -0.458   0.549  1.00  0.00           C  
HETATM   16  S   UNL     1       0.070   0.325   1.647  1.00  0.00           S  
HETATM   17  N   UNL     1       0.893  -0.045  -0.660  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.064   0.855  -0.814  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.403   1.369  -2.028  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.670   1.218   0.321  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.788   2.221   0.445  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.113   1.515   0.316  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.743   1.019   1.442  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.959   0.370   1.325  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.544   0.218   0.081  1.00  0.00           C  
HETATM   26 BR   UNL     1      -7.206  -0.668  -0.080  1.00  0.00          Br  
HETATM   27  C   UNL     1      -4.912   0.714  -1.046  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.700   1.367  -0.927  1.00  0.00           C  
HETATM   29  H   UNL     1       4.478  -1.213   1.809  1.00  0.00           H  
HETATM   30  H   UNL     1       6.006  -0.056   3.313  1.00  0.00           H  
HETATM   31  H   UNL     1       7.386   1.813   2.513  1.00  0.00           H  
HETATM   32  H   UNL     1       7.259   2.558   0.198  1.00  0.00           H  
HETATM   33  H   UNL     1       6.279   2.313  -2.068  1.00  0.00           H  
HETATM   34  H   UNL     1       4.751   1.157  -3.571  1.00  0.00           H  
HETATM   35  H   UNL     1       3.371  -0.713  -2.772  1.00  0.00           H  
HETATM   36  H   UNL     1       2.146  -1.701   1.819  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.033   0.828  -2.522  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.730   2.711   1.416  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.696   2.967  -0.345  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.286   1.137   2.413  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.209   1.759  -1.805  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.451  -0.017   2.204  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.369   0.595  -2.017  1.00  0.00           H  
CONECT    1    2    6    6   10                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   10   10   35                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   36                                            
CONECT   15   14   16   17   17                                       
CONECT   16   15   20                                                 
CONECT   17   15   15   18                                            
CONECT   18   17   19   20   20                                       
CONECT   19   18   37                                                 
CONECT   20   16   18   18   21                                       
CONECT   21   20   22   38   39                                       
CONECT   22   21   23   28   28                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23   25   42                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   28   43                                       
CONECT   28   22   22   27   41                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   28                                                      
CONECT   42   24                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
