COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.510   2.620  -0.064  1.00  0.00           C  
HETATM    2  C   UNL     1       5.296   1.728  -0.085  1.00  0.00           C  
HETATM    3  C   UNL     1       5.443   0.346   0.106  1.00  0.00           C  
HETATM    4  C   UNL     1       4.344  -0.448   0.085  1.00  0.00           C  
HETATM    5  C   UNL     1       4.473  -1.935   0.289  1.00  0.00           C  
HETATM    6  N   UNL     1       3.120   0.119  -0.123  1.00  0.00           N  
HETATM    7  C   UNL     1       1.857  -0.401  -0.197  1.00  0.00           C  
HETATM    8 BR   UNL     1       1.378  -2.222  -0.018  1.00  0.00          Br  
HETATM    9  C   UNL     1       1.015   0.632  -0.422  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.481   0.530  -0.575  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.266   0.702   1.047  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.959   0.548   0.585  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.018   0.611   1.447  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.170   0.446   0.695  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.521   0.417   1.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.450   0.229  -0.002  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.040   0.069  -1.316  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.701   0.096  -1.640  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.749   0.285  -0.635  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.392   0.363  -0.638  1.00  0.00           N  
HETATM   21  N   UNL     1       1.730   1.759  -0.485  1.00  0.00           N  
HETATM   22  C   UNL     1       3.012   1.474  -0.306  1.00  0.00           C  
HETATM   23  N   UNL     1       4.107   2.248  -0.278  1.00  0.00           N  
HETATM   24  H   UNL     1       6.203   3.654  -0.224  1.00  0.00           H  
HETATM   25  H   UNL     1       7.007   2.534   0.902  1.00  0.00           H  
HETATM   26  H   UNL     1       7.197   2.318  -0.854  1.00  0.00           H  
HETATM   27  H   UNL     1       6.421  -0.081   0.268  1.00  0.00           H  
HETATM   28  H   UNL     1       5.522  -2.192   0.438  1.00  0.00           H  
HETATM   29  H   UNL     1       3.897  -2.233   1.165  1.00  0.00           H  
HETATM   30  H   UNL     1       4.092  -2.457  -0.590  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.833   1.321  -1.235  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.737  -0.440  -1.001  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.971   0.746   2.406  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.847   0.540   2.025  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.502   0.206   0.239  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.776  -0.077  -2.093  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.389  -0.029  -2.666  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1   23   23    3                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   28   29   30                                       
CONECT    6   22    4    7                                            
CONECT    7    6    9    9    8                                       
CONECT    8    7                                                      
CONECT    9   21    7    7   10                                       
CONECT   10    9   11   31   32                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   20   20                                       
CONECT   13   12   14   33                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   19   19   17   37                                       
CONECT   19   14   20   18   18                                       
CONECT   20   12   12   19                                            
CONECT   21   22   22    9                                            
CONECT   22   23    6   21   21                                       
CONECT   23    2    2   22                                            
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
