COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.612  -5.206   1.151  1.00  0.00           C  
HETATM    2  C   UNL     1       3.773   1.298   0.304  1.00  0.00           C  
HETATM    3  C   UNL     1       0.635  -4.468   0.630  1.00  0.00           C  
HETATM    4  C   UNL     1       0.104  -5.734  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       3.112   1.554   2.972  1.00  0.00           C  
HETATM    6  C   UNL     1       0.937  -2.024   0.072  1.00  0.00           C  
HETATM    7  C   UNL     1       2.419  -2.083   0.340  1.00  0.00           C  
HETATM    8  C   UNL     1       3.154   0.228   0.980  1.00  0.00           C  
HETATM    9  C   UNL     1       2.827   0.373   2.325  1.00  0.00           C  
HETATM   10  C   UNL     1       3.722   2.604   2.298  1.00  0.00           C  
HETATM   11  C   UNL     1       4.052   2.483   0.977  1.00  0.00           C  
HETATM   12  N   UNL     1       0.190  -3.141   0.166  1.00  0.00           N  
HETATM   13  N   UNL     1       3.019  -0.776   0.058  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.783  -4.218   0.938  1.00  0.00           C  
HETATM   15  N   UNL     1       4.704   0.928  -3.392  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.592  -1.112   0.675  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.938  -1.948  -0.132  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.244  -3.285  -0.176  1.00  0.00           C  
HETATM   19  C   UNL     1       3.972   0.798  -1.063  1.00  0.00           C  
HETATM   20  C   UNL     1       4.591   1.522  -2.188  1.00  0.00           C  
HETATM   21  O   UNL     1       4.999   2.657  -2.029  1.00  0.00           O  
HETATM   22  N   UNL     1       3.486  -0.425  -1.085  1.00  0.00           N  
HETATM   23  O   UNL     1       0.417  -0.970  -0.229  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.942  -1.682  -0.990  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.514  -0.411  -1.021  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.622  -0.174  -1.826  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.181   1.092  -1.847  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.610   2.081  -1.059  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.509   1.775  -0.282  1.00  0.00           C  
HETATM   30 BR   UNL     1      -2.724   3.117   0.795  1.00  0.00          Br  
HETATM   31  N   UNL     1      -3.000   0.557  -0.279  1.00  0.00           N  
HETATM   32  H   UNL     1      -0.600  -5.790   2.071  1.00  0.00           H  
HETATM   33  H   UNL     1       1.579  -4.515   1.173  1.00  0.00           H  
HETATM   34  H   UNL     1       0.684  -6.652   0.006  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.387  -5.593  -1.058  1.00  0.00           H  
HETATM   36  H   UNL     1       2.858   1.666   4.016  1.00  0.00           H  
HETATM   37  H   UNL     1       2.589  -2.343   1.385  1.00  0.00           H  
HETATM   38  H   UNL     1       2.874  -2.838  -0.301  1.00  0.00           H  
HETATM   39  H   UNL     1       2.353  -0.438   2.858  1.00  0.00           H  
HETATM   40  H   UNL     1       3.938   3.524   2.822  1.00  0.00           H  
HETATM   41  H   UNL     1       4.527   3.303   0.459  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.677  -4.744   0.603  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.984  -3.655   1.850  1.00  0.00           H  
HETATM   44  H   UNL     1       4.378   0.023  -3.519  1.00  0.00           H  
HETATM   45  H   UNL     1       5.111   1.405  -4.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.361  -3.749  -1.155  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.266  -2.375  -1.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.041  -0.967  -2.428  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.042   1.305  -2.464  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.022   3.079  -1.053  1.00  0.00           H  
CONECT    1    4    3   14   32                                       
CONECT    2   19    8   11   11                                       
CONECT    3    4    1   12   33                                       
CONECT    4    3    1   34   35                                       
CONECT    5    9   10   10   36                                       
CONECT    6    7   12   23   23                                       
CONECT    7   13    6   37   38                                       
CONECT    8   13    9    9    2                                       
CONECT    9    8    8    5   39                                       
CONECT   10    5    5   11   40                                       
CONECT   11    2    2   10   41                                       
CONECT   12    3    6   18                                            
CONECT   13    7   22    8                                            
CONECT   14    1   18   42   43                                       
CONECT   15   20   44   45                                            
CONECT   16   17   17                                                 
CONECT   17   18   16   16   24                                       
CONECT   18   12   14   17   46                                       
CONECT   19   22   22   20    2                                       
CONECT   20   21   21   19   15                                       
CONECT   21   20   20                                                 
CONECT   22   13   19   19                                            
CONECT   23    6    6                                                 
CONECT   24   17   25   47                                            
CONECT   25   24   26   26   31                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   28   49                                       
CONECT   28   27   27   29   50                                       
CONECT   29   31   31   28   30                                       
CONECT   30   29                                                      
CONECT   31   25   29   29                                            
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
