COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -3.786   3.139   0.049  1.00  0.00          Br  
HETATM    2  C   UNL     1      -2.163   2.196  -0.178  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.094   0.879   0.175  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.055   2.852  -0.709  1.00  0.00           C  
HETATM    5  C   UNL     1       0.129   2.200  -0.886  1.00  0.00           C  
HETATM    6  C   UNL     1       0.236   0.849  -0.529  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.893   0.182   0.006  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.763  -1.186   0.354  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.828  -1.887   0.879  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.211  -2.999  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.536  -3.595   0.477  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.920  -4.709  -0.405  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.216  -5.570  -1.085  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.527  -2.367   2.234  1.00  0.00           C  
HETATM   15  N   UNL     1       0.408  -1.774   0.163  1.00  0.00           N  
HETATM   16  N   UNL     1       1.378   0.163  -0.683  1.00  0.00           N  
HETATM   17  C   UNL     1       1.444  -1.110  -0.342  1.00  0.00           C  
HETATM   18  N   UNL     1       2.641  -1.781  -0.517  1.00  0.00           N  
HETATM   19  C   UNL     1       2.748  -3.195  -0.148  1.00  0.00           C  
HETATM   20  C   UNL     1       3.801  -1.079  -1.071  1.00  0.00           C  
HETATM   21  C   UNL     1       4.611  -0.456   0.067  1.00  0.00           C  
HETATM   22  C   UNL     1       5.823   0.278  -0.511  1.00  0.00           C  
HETATM   23  N   UNL     1       6.601   0.876   0.582  1.00  0.00           N  
HETATM   24  C   UNL     1       7.891   1.383   0.094  1.00  0.00           C  
HETATM   25  C   UNL     1       5.838   1.937   1.252  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.960   0.379   0.582  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.135   3.893  -0.985  1.00  0.00           H  
HETATM   28  H   UNL     1       0.980   2.721  -1.299  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.324  -2.633  -1.022  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.437  -3.766   0.026  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.423  -3.961   1.497  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.310  -2.828   0.450  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.212  -1.528   2.855  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.418  -2.823   2.664  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.727  -3.105   2.188  1.00  0.00           H  
HETATM   36  H   UNL     1       2.485  -3.815  -1.005  1.00  0.00           H  
HETATM   37  H   UNL     1       3.771  -3.414   0.159  1.00  0.00           H  
HETATM   38  H   UNL     1       2.068  -3.408   0.677  1.00  0.00           H  
HETATM   39  H   UNL     1       4.426  -1.785  -1.618  1.00  0.00           H  
HETATM   40  H   UNL     1       3.462  -0.294  -1.747  1.00  0.00           H  
HETATM   41  H   UNL     1       3.987   0.250   0.614  1.00  0.00           H  
HETATM   42  H   UNL     1       4.951  -1.241   0.743  1.00  0.00           H  
HETATM   43  H   UNL     1       6.448  -0.428  -1.058  1.00  0.00           H  
HETATM   44  H   UNL     1       5.484   1.062  -1.187  1.00  0.00           H  
HETATM   45  H   UNL     1       7.717   2.143  -0.668  1.00  0.00           H  
HETATM   46  H   UNL     1       8.446   1.821   0.923  1.00  0.00           H  
HETATM   47  H   UNL     1       8.465   0.562  -0.336  1.00  0.00           H  
HETATM   48  H   UNL     1       4.920   1.518   1.665  1.00  0.00           H  
HETATM   49  H   UNL     1       6.437   2.362   2.057  1.00  0.00           H  
HETATM   50  H   UNL     1       5.590   2.717   0.532  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    4    4                                       
CONECT    3    7    7    2   26                                       
CONECT    4    2    2    5   27                                       
CONECT    5    6    6    4   28                                       
CONECT    6    7   16    5    5                                       
CONECT    7    8    3    3    6                                       
CONECT    8    9   15   15    7                                       
CONECT    9   14   10    8                                            
CONECT   10   11    9   29   30                                       
CONECT   11   12   10   31   32                                       
CONECT   12   13   13   13   11                                       
CONECT   13   12   12   12                                            
CONECT   14    9   33   34   35                                       
CONECT   15    8    8   17                                            
CONECT   16   17   17    6                                            
CONECT   17   15   18   16   16                                       
CONECT   18   20   17   19                                            
CONECT   19   18   36   37   38                                       
CONECT   20   21   18   39   40                                       
CONECT   21   22   20   41   42                                       
CONECT   22   23   21   43   44                                       
CONECT   23   24   25   22                                            
CONECT   24   23   45   46   47                                       
CONECT   25   23   48   49   50                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
