COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.028   3.051  -2.569  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.419   1.806  -1.986  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.485   1.149  -1.247  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.220   1.691  -1.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.271   1.022  -0.336  1.00  0.00           C  
HETATM    6  C   UNL     1       1.104   1.613  -0.163  1.00  0.00           C  
HETATM    7  C   UNL     1       1.367   1.844   1.298  1.00  0.00           C  
HETATM    8  C   UNL     1       0.762   2.965   1.951  1.00  0.00           C  
HETATM    9  N   UNL     1       0.282   3.855   2.470  1.00  0.00           N  
HETATM   10  C   UNL     1       2.164   1.012   2.010  1.00  0.00           C  
HETATM   11  N   UNL     1       2.371   1.266   3.343  1.00  0.00           N  
HETATM   12  O   UNL     1       2.758  -0.055   1.450  1.00  0.00           O  
HETATM   13  C   UNL     1       2.904  -0.118   0.103  1.00  0.00           C  
HETATM   14  C   UNL     1       3.847  -0.987  -0.442  1.00  0.00           C  
HETATM   15  N   UNL     1       4.633  -1.787   0.401  1.00  0.00           N  
HETATM   16  C   UNL     1       4.007  -1.062  -1.822  1.00  0.00           C  
HETATM   17  N   UNL     1       4.954  -1.935  -2.373  1.00  0.00           N  
HETATM   18  C   UNL     1       3.227  -0.269  -2.651  1.00  0.00           C  
HETATM   19  C   UNL     1       2.293   0.591  -2.106  1.00  0.00           C  
HETATM   20  C   UNL     1       2.129   0.669  -0.734  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.581  -0.187   0.257  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.842  -0.734   0.101  1.00  0.00           C  
HETATM   23 BR   UNL     1      -2.265  -2.385   0.920  1.00  0.00          Br  
HETATM   24  C   UNL     1      -2.800  -0.065  -0.646  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.041  -0.601  -0.800  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.025  -0.248   0.174  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.736   3.745  -1.781  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.185   2.888  -3.240  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.864   3.468  -3.130  1.00  0.00           H  
HETATM   30  H   UNL     1       1.158   2.564  -0.694  1.00  0.00           H  
HETATM   31  H   UNL     1       1.948   2.032   3.762  1.00  0.00           H  
HETATM   32  H   UNL     1       2.939   0.679   3.866  1.00  0.00           H  
HETATM   33  H   UNL     1       4.521  -1.735   1.363  1.00  0.00           H  
HETATM   34  H   UNL     1       5.289  -2.392   0.022  1.00  0.00           H  
HETATM   35  H   UNL     1       5.498  -2.489  -1.792  1.00  0.00           H  
HETATM   36  H   UNL     1       5.064  -1.986  -3.336  1.00  0.00           H  
HETATM   37  H   UNL     1       3.349  -0.324  -3.723  1.00  0.00           H  
HETATM   38  H   UNL     1       1.687   1.207  -2.755  1.00  0.00           H  
HETATM   39  H   UNL     1       0.163  -0.707   0.842  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.689  -0.566   1.161  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.170   0.832   0.169  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.967  -0.742  -0.066  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.974   2.636  -1.550  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1                                                 
CONECT    3   24   24    2    4                                       
CONECT    4    3    5    5   43                                       
CONECT    5   21    4    4    6                                       
CONECT    6    5    7   20   30                                       
CONECT    7    8    6   10   10                                       
CONECT    8    9    9    9    7                                       
CONECT    9    8    8    8                                            
CONECT   10    7    7   11   12                                       
CONECT   11   10   31   32                                            
CONECT   12   10   13                                                 
CONECT   13   20   12   14   14                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14   33   34                                            
CONECT   16   18   18   14   17                                       
CONECT   17   16   35   36                                            
CONECT   18   19   16   16   37                                       
CONECT   19   20   20   18   38                                       
CONECT   20    6   19   19   13                                       
CONECT   21   22   22    5   39                                       
CONECT   22   23   24   21   21                                       
CONECT   23   22                                                      
CONECT   24   25   22    3    3                                       
CONECT   25   26   24                                                 
CONECT   26   25   40   41   42                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    6                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43    4                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
