COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.392   1.720  -1.526  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.141   0.093  -0.232  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.983   2.907  -1.739  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.693   1.450  -0.219  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.694   1.582   0.931  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.971   1.434   2.245  1.00  0.00           C  
HETATM    7  C   UNL     1       3.158  -2.214   0.150  1.00  0.00           C  
HETATM    8  C   UNL     1       2.135  -1.267   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       2.440   0.087  -0.110  1.00  0.00           C  
HETATM   10  C   UNL     1       3.758   0.497  -0.074  1.00  0.00           C  
HETATM   11 BR   UNL     1       4.181   2.334  -0.224  1.00  0.00          Br  
HETATM   12  C   UNL     1       4.772  -0.437   0.074  1.00  0.00           C  
HETATM   13  C   UNL     1       4.479  -1.782   0.185  1.00  0.00           C  
HETATM   14  C   UNL     1       0.864  -2.021   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.258  -3.436   0.158  1.00  0.00           C  
HETATM   16  N   UNL     1       2.599  -3.485   0.234  1.00  0.00           N  
HETATM   17  O   UNL     1       0.503  -4.389   0.205  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.415  -1.513  -0.121  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.839  -0.096  -0.090  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.950  -0.961  -0.381  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.650  -0.918  -0.578  1.00  0.00           S  
HETATM   22  S   UNL     1      -1.931  -2.410  -0.339  1.00  0.00           S  
HETATM   23  O   UNL     1      -0.054   0.821   0.054  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.652   1.515   3.399  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.778   1.242   2.260  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.425   0.867  -2.381  1.00  0.00           O  
HETATM   27  H   UNL     1      -4.422   3.032  -2.592  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.886   2.170  -0.083  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.170   2.562   0.887  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.452   0.805   0.844  1.00  0.00           H  
HETATM   31  H   UNL     1       1.649   0.814  -0.225  1.00  0.00           H  
HETATM   32  H   UNL     1       5.800  -0.110   0.102  1.00  0.00           H  
HETATM   33  H   UNL     1       5.278  -2.499   0.299  1.00  0.00           H  
HETATM   34  H   UNL     1       3.112  -4.301   0.339  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.146   1.413   4.216  1.00  0.00           H  
CONECT    1    4   26   26    3                                       
CONECT    2   20   19    4                                            
CONECT    3    1   27                                                 
CONECT    4    1    2    5   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5   25   25   24                                       
CONECT    7   16    8    8   13                                       
CONECT    8    7    7   14    9                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   12   11                                       
CONECT   11   10                                                      
CONECT   12   10   13   13   32                                       
CONECT   13    7   12   12   33                                       
CONECT   14    8   15   18   18                                       
CONECT   15   14   17   17   16                                       
CONECT   16    7   15   34                                            
CONECT   17   15   15                                                 
CONECT   18   14   14   22   19                                       
CONECT   19    2   18   23   23                                       
CONECT   20    2   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   18   20                                                 
CONECT   23   19   19                                                 
CONECT   24    6   35                                                 
CONECT   25    6    6                                                 
CONECT   26    1    1                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   24                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
