COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.035   0.118  -0.141  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.392   0.213   0.102  1.00  0.00           C  
HETATM    3 BR   UNL     1      -5.562   0.765  -1.277  1.00  0.00          Br  
HETATM    4  C   UNL     1      -4.895  -0.096   1.353  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.043  -0.499   2.364  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.685  -0.595   2.128  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.177  -0.287   0.873  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.800  -0.384   0.630  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.025   0.695   0.852  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.527   1.726   1.257  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.301  -1.553   0.188  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.044  -2.499   0.007  1.00  0.00           O  
HETATM   13  C   UNL     1       1.138  -1.692  -0.077  1.00  0.00           C  
HETATM   14  C   UNL     1       1.693  -2.880  -0.533  1.00  0.00           C  
HETATM   15  C   UNL     1       3.058  -2.966  -0.770  1.00  0.00           C  
HETATM   16  C   UNL     1       3.891  -1.890  -0.562  1.00  0.00           C  
HETATM   17  C   UNL     1       3.364  -0.674  -0.102  1.00  0.00           C  
HETATM   18  C   UNL     1       1.980  -0.577   0.141  1.00  0.00           C  
HETATM   19  C   UNL     1       1.419   0.634   0.611  1.00  0.00           C  
HETATM   20  C   UNL     1       2.250   1.729   0.830  1.00  0.00           C  
HETATM   21  C   UNL     1       3.609   1.635   0.591  1.00  0.00           C  
HETATM   22  C   UNL     1       4.180   0.459   0.126  1.00  0.00           C  
HETATM   23  N   UNL     1       5.541   0.392  -0.104  1.00  0.00           N  
HETATM   24  C   UNL     1       6.383   1.567   0.133  1.00  0.00           C  
HETATM   25  C   UNL     1       7.838   1.227  -0.196  1.00  0.00           C  
HETATM   26  O   UNL     1       7.958   0.951  -1.593  1.00  0.00           O  
HETATM   27  H   UNL     1      -2.642   0.355  -1.119  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.956  -0.022   1.541  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.438  -0.739   3.340  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.020  -0.910   2.918  1.00  0.00           H  
HETATM   31  H   UNL     1       1.061  -3.739  -0.704  1.00  0.00           H  
HETATM   32  H   UNL     1       3.476  -3.897  -1.123  1.00  0.00           H  
HETATM   33  H   UNL     1       4.950  -1.981  -0.753  1.00  0.00           H  
HETATM   34  H   UNL     1       1.831   2.658   1.188  1.00  0.00           H  
HETATM   35  H   UNL     1       4.238   2.495   0.766  1.00  0.00           H  
HETATM   36  H   UNL     1       5.939  -0.434  -0.422  1.00  0.00           H  
HETATM   37  H   UNL     1       6.049   2.387  -0.502  1.00  0.00           H  
HETATM   38  H   UNL     1       6.306   1.864   1.179  1.00  0.00           H  
HETATM   39  H   UNL     1       8.476   2.072   0.064  1.00  0.00           H  
HETATM   40  H   UNL     1       8.144   0.351   0.375  1.00  0.00           H  
HETATM   41  H   UNL     1       8.856   0.727  -1.873  1.00  0.00           H  
CONECT    1    2    7    7   27                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   28                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   11                                            
CONECT    9    8   10   10   19                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   18                                       
CONECT   14   13   13   15   31                                       
CONECT   15   14   16   16   32                                       
CONECT   16   15   15   17   33                                       
CONECT   17   16   18   18   22                                       
CONECT   18   13   17   17   19                                       
CONECT   19    9   18   20   20                                       
CONECT   20   19   19   21   34                                       
CONECT   21   20   22   22   35                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24   36                                            
CONECT   24   23   25   37   38                                       
CONECT   25   24   26   39   40                                       
CONECT   26   25   41                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
