COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.327   0.528  -0.668  1.00  0.00           C  
HETATM    2  C   UNL     1       3.860  -1.454  -0.147  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.508   0.022  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       3.162  -0.291   0.092  1.00  0.00           C  
HETATM    5  C   UNL     1       1.867  -0.315  -0.319  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.195   0.351   1.020  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.773  -0.643   1.788  1.00  0.00           C  
HETATM    8  C   UNL     1       5.306  -1.601   0.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.399  -1.301  -0.520  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.977  -2.295   0.248  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.664  -1.966   1.402  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.521  -0.285   3.046  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.236   1.516  -0.557  1.00  0.00           N  
HETATM   14  N   UNL     1       0.927   0.711  -0.208  1.00  0.00           N  
HETATM   15  N   UNL     1       3.213  -2.422  -0.728  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.655   0.759  -2.429  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.491   2.484  -0.824  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.638  -0.530  -1.180  1.00  0.00           O  
HETATM   19  S   UNL     1      -2.778   1.289  -1.116  1.00  0.00           S  
HETATM   20  S   UNL     1       1.631  -1.875  -1.004  1.00  0.00           S  
HETATM   21 BR   UNL     1       3.943   1.216   0.926  1.00  0.00          Br  
HETATM   22  H   UNL     1      -4.280   1.384   1.322  1.00  0.00           H  
HETATM   23  H   UNL     1       5.944  -1.278  -0.573  1.00  0.00           H  
HETATM   24  H   UNL     1       5.506  -0.986   1.128  1.00  0.00           H  
HETATM   25  H   UNL     1       5.515  -2.645   0.484  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.863  -1.558  -1.422  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.892  -3.329  -0.054  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.116  -2.743   2.001  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.570  -0.112   2.807  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.441  -1.103   3.761  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.093   0.619   3.478  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.988   2.360  -0.148  1.00  0.00           H  
HETATM   33  H   UNL     1       1.175   1.555   0.200  1.00  0.00           H  
CONECT    1   13   18   18   14                                       
CONECT    2    4   15   15    8                                       
CONECT    3    9   19    6    6                                       
CONECT    4   21    5    5    2                                       
CONECT    5   14    4    4   20                                       
CONECT    6    3    3    7   22                                       
CONECT    7   11   11    6   12                                       
CONECT    8    2   23   24   25                                       
CONECT    9   10   10    3   26                                       
CONECT   10    9    9   11   27                                       
CONECT   11   10    7    7   28                                       
CONECT   12    7   29   30   31                                       
CONECT   13   19    1   32                                            
CONECT   14    1    5   33                                            
CONECT   15   20    2    2                                            
CONECT   16   19   19                                                 
CONECT   17   19   19                                                 
CONECT   18    1    1                                                 
CONECT   19   17   17    3   16                                       
CONECT   19   16   13                                                 
CONECT   20    5   15                                                 
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
