COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       2.745  -1.828   0.389  1.00  0.00          Br  
HETATM    2  C   UNL     1       1.631  -0.353  -0.011  1.00  0.00           C  
HETATM    3  C   UNL     1       0.273  -0.388  -0.157  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.174   0.894  -0.416  1.00  0.00           N  
HETATM    5  C   UNL     1       0.905   1.744  -0.482  1.00  0.00           C  
HETATM    6  C   UNL     1       2.056   0.983  -0.204  1.00  0.00           C  
HETATM    7  C   UNL     1       3.309   1.609  -0.172  1.00  0.00           C  
HETATM    8  C   UNL     1       1.030   3.105  -0.746  1.00  0.00           C  
HETATM    9  C   UNL     1       2.274   3.694  -0.726  1.00  0.00           C  
HETATM   10  C   UNL     1       3.407   2.946  -0.426  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.621   1.157  -0.550  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.961   2.048   0.576  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.888   1.432   1.372  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.366   1.959   2.464  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.259   0.200   0.898  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.549  -0.048  -0.349  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.581  -0.092  -1.482  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.138  -1.535  -1.377  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.063  -2.326  -0.603  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.961  -1.395  -0.322  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.650  -1.531  -0.088  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.210  -2.631   0.189  1.00  0.00           O  
HETATM   23  H   UNL     1       4.195   1.035   0.054  1.00  0.00           H  
HETATM   24  H   UNL     1       0.154   3.697  -0.967  1.00  0.00           H  
HETATM   25  H   UNL     1       2.370   4.749  -0.933  1.00  0.00           H  
HETATM   26  H   UNL     1       4.374   3.425  -0.404  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.827   1.652  -1.499  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.587   2.931   0.727  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.066   2.836   2.751  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.888  -0.405   1.322  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.371   0.640  -1.314  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.103   0.072  -2.448  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.079  -1.538  -0.827  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.280  -1.959  -2.371  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.479  -2.701   0.332  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.702  -3.155  -1.211  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    6                                       
CONECT    3   21    2    2    4                                       
CONECT    4    3   11    5                                            
CONECT    5    4    6    6    8                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6   10   10   23                                       
CONECT    8    5    9    9   24                                       
CONECT    9    8    8   10   25                                       
CONECT   10    7    7    9   26                                       
CONECT   11   16    4   12   27                                       
CONECT   12   13   11   28                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13   29                                            
CONECT   15   16   13   30                                            
CONECT   16   20   17   15   11                                       
CONECT   17   18   16   31   32                                       
CONECT   18   19   17   33   34                                       
CONECT   19   18   20   35   36                                       
CONECT   20   19   21   16                                            
CONECT   21   22   22   20    3                                       
CONECT   22   21   21                                                 
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
