COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.708  -0.476  -1.096  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.666  -1.452  -0.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.205  -1.659   0.356  1.00  0.00           C  
HETATM    4  N   UNL     1      -9.174  -2.646   0.551  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.777  -0.883   1.426  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.818   0.091   1.230  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.280   0.291  -0.028  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.234   1.355  -0.238  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.903   0.780  -0.028  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.806   1.551  -0.163  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.921   2.725  -0.459  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.582   1.022   0.031  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.390   1.860  -0.116  1.00  0.00           C  
HETATM   14  C   UNL     1       0.842   1.034   0.151  1.00  0.00           C  
HETATM   15  O   UNL     1       0.734  -0.140   0.436  1.00  0.00           O  
HETATM   16  N   UNL     1       2.063   1.599   0.073  1.00  0.00           N  
HETATM   17  C   UNL     1       2.337   3.009  -0.261  1.00  0.00           C  
HETATM   18  C   UNL     1       3.722   3.303   0.369  1.00  0.00           C  
HETATM   19  C   UNL     1       4.462   1.960   0.136  1.00  0.00           C  
HETATM   20  C   UNL     1       3.341   0.914   0.314  1.00  0.00           C  
HETATM   21  C   UNL     1       3.515  -0.199  -0.687  1.00  0.00           C  
HETATM   22  C   UNL     1       2.854  -0.147  -1.900  1.00  0.00           C  
HETATM   23  C   UNL     1       3.013  -1.168  -2.818  1.00  0.00           C  
HETATM   24  C   UNL     1       3.833  -2.241  -2.524  1.00  0.00           C  
HETATM   25  C   UNL     1       4.494  -2.294  -1.312  1.00  0.00           C  
HETATM   26  C   UNL     1       4.340  -1.270  -0.395  1.00  0.00           C  
HETATM   27 BR   UNL     1       5.244  -1.342   1.264  1.00  0.00          Br  
HETATM   28  H   UNL     1      -6.289  -0.314  -2.078  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.997  -2.054  -1.741  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.471  -3.188  -0.197  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.549  -2.790   1.434  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.194  -1.042   2.410  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.485   0.695   2.061  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.306   1.741  -1.255  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.394   2.167   0.471  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.811  -0.157   0.208  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.490   0.086   0.267  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.347   2.258  -1.130  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.435   2.685   0.596  1.00  0.00           H  
HETATM   40  H   UNL     1       2.376   3.142  -1.342  1.00  0.00           H  
HETATM   41  H   UNL     1       1.576   3.657   0.173  1.00  0.00           H  
HETATM   42  H   UNL     1       4.222   4.120  -0.151  1.00  0.00           H  
HETATM   43  H   UNL     1       3.629   3.519   1.433  1.00  0.00           H  
HETATM   44  H   UNL     1       4.877   1.918  -0.872  1.00  0.00           H  
HETATM   45  H   UNL     1       5.246   1.817   0.880  1.00  0.00           H  
HETATM   46  H   UNL     1       3.367   0.512   1.327  1.00  0.00           H  
HETATM   47  H   UNL     1       2.213   0.692  -2.130  1.00  0.00           H  
HETATM   48  H   UNL     1       2.496  -1.127  -3.766  1.00  0.00           H  
HETATM   49  H   UNL     1       3.957  -3.039  -3.242  1.00  0.00           H  
HETATM   50  H   UNL     1       5.138  -3.130  -1.084  1.00  0.00           H  
CONECT    1    7    2    2   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3   30   31                                            
CONECT    5    6    3    3   32                                       
CONECT    6    7    7    5   33                                       
CONECT    7    8    6    6    1                                       
CONECT    8    9    7   34   35                                       
CONECT    9   10    8   36                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   37                                            
CONECT   13   12   14   38   39                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   20   14   17                                            
CONECT   17   16   18   40   41                                       
CONECT   18   19   17   42   43                                       
CONECT   19   20   18   44   45                                       
CONECT   20   21   19   16   46                                       
CONECT   21   26   20   22   22                                       
CONECT   22   21   21   23   47                                       
CONECT   23   24   24   22   48                                       
CONECT   24   25   23   23   49                                       
CONECT   25   26   26   24   50                                       
CONECT   26   27   25   25   21                                       
CONECT   27   26                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
