COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.984   1.117  -1.504  1.00  0.00           O  
HETATM    2  C   UNL     1       1.622   1.863  -0.619  1.00  0.00           C  
HETATM    3  N   UNL     1       1.911   1.576   0.666  1.00  0.00           N  
HETATM    4  C   UNL     1       2.533   0.370   0.987  1.00  0.00           C  
HETATM    5  N   UNL     1       2.934  -0.439   0.019  1.00  0.00           N  
HETATM    6  C   UNL     1       2.732   0.032   2.321  1.00  0.00           C  
HETATM    7  C   UNL     1       3.350  -1.168   2.626  1.00  0.00           C  
HETATM    8  C   UNL     1       3.751  -1.991   1.583  1.00  0.00           C  
HETATM    9  C   UNL     1       3.527  -1.589   0.280  1.00  0.00           C  
HETATM   10 BR   UNL     1       4.069  -2.705  -1.147  1.00  0.00          Br  
HETATM   11  C   UNL     1       0.853   3.115  -0.956  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.515   3.053  -0.405  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.038   4.316   0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.032   5.482  -0.031  1.00  0.00           C  
HETATM   15  S   UNL     1       1.569   4.574  -0.092  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.228   1.910  -0.368  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.749   0.882  -0.796  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.622   1.910   0.207  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.180   0.557   0.134  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.051  -0.385   1.119  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.467  -0.411   2.309  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.503  -1.485   3.067  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.153  -2.642   2.661  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.776  -2.675   1.439  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.728  -1.528   0.649  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.237  -1.138  -0.671  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.856   0.106  -0.860  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.022  -1.973  -1.599  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.310  -3.115  -1.294  1.00  0.00           O  
HETATM   30  N   UNL     1      -5.422  -1.471  -2.784  1.00  0.00           N  
HETATM   31  H   UNL     1       1.686   2.207   1.367  1.00  0.00           H  
HETATM   32  H   UNL     1       2.408   0.697   3.108  1.00  0.00           H  
HETATM   33  H   UNL     1       3.518  -1.456   3.654  1.00  0.00           H  
HETATM   34  H   UNL     1       4.237  -2.934   1.788  1.00  0.00           H  
HETATM   35  H   UNL     1       0.832   3.275  -2.034  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.939   4.568  -0.468  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.306   4.194   1.143  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.198   6.046  -0.949  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.080   6.135   0.840  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.586   2.232   1.247  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.250   2.593  -0.364  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.015  -1.466   4.031  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.168  -3.511   3.302  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.288  -3.563   1.099  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.193  -0.560  -3.027  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.938  -2.020  -3.394  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   11                                       
CONECT    3    4    2   31                                            
CONECT    4    5    5    6    3                                       
CONECT    5    9    4    4                                            
CONECT    6    7    7    4   32                                       
CONECT    7    8    6    6   33                                       
CONECT    8    9    9    7   34                                       
CONECT    9   10    8    8    5                                       
CONECT   10    9                                                      
CONECT   11    2   12   15   35                                       
CONECT   12   16   11   13                                            
CONECT   13   12   14   36   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   11   14                                                 
CONECT   16   17   17   18   12                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   40   41                                       
CONECT   19   20   27   18                                            
CONECT   20   25   25   21   19                                       
CONECT   21   22   22   20                                            
CONECT   22   23   21   21   42                                       
CONECT   23   24   24   22   43                                       
CONECT   24   23   23   25   44                                       
CONECT   25   24   26   20   20                                       
CONECT   26   28   25   27   27                                       
CONECT   27   26   26   19                                            
CONECT   28   29   29   26   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   45   46                                            
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   30                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
