COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.472  -1.195   0.634  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.698  -2.487  -0.440  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.782  -2.533   0.754  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.946  -4.969  -0.921  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.456  -3.955  -1.164  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.184  -3.454  -1.325  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.930   3.749   0.142  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.716   2.765  -1.967  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.280   2.849  -0.835  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.206   2.122  -0.471  1.00  0.00           N  
HETATM   11  C   UNL     1       0.438   1.231  -1.439  1.00  0.00           C  
HETATM   12  C   UNL     1       1.607   0.539  -0.786  1.00  0.00           C  
HETATM   13  C   UNL     1       2.891   1.000  -1.001  1.00  0.00           C  
HETATM   14  C   UNL     1       3.964   0.370  -0.396  1.00  0.00           C  
HETATM   15 BR   UNL     1       5.721   1.004  -0.693  1.00  0.00          Br  
HETATM   16  C   UNL     1       3.754  -0.727   0.420  1.00  0.00           C  
HETATM   17 BR   UNL     1       2.185  -2.694   1.750  1.00  0.00          Br  
HETATM   18  C   UNL     1       1.393  -0.560   0.033  1.00  0.00           C  
HETATM   19  O   UNL     1       0.130  -1.016   0.245  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.336  -1.947  -0.609  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.509  -2.030   0.603  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.261  -3.494  -0.129  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.517  -3.983   0.021  1.00  0.00           O  
HETATM   24  O   UNL     1       0.366  -2.343  -1.519  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.292   3.620   0.416  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.092   2.584  -0.274  1.00  0.00           N1+
HETATM   27  O   UNL     1      -5.300   2.547  -0.125  1.00  0.00           O1-
HETATM   28  O   UNL     1      -3.543   1.768  -0.993  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.890   4.459   1.333  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.144   5.427   1.980  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.793   5.561   1.712  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.182   4.728   0.798  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.410  -2.177   1.557  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.966  -5.274  -0.688  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.913  -4.549  -1.926  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.286  -5.835  -0.867  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.832  -4.702  -1.848  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.562  -3.807  -2.135  1.00  0.00           H  
HETATM   39  H   UNL     1       0.142   2.189   0.432  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.281   0.486  -1.780  1.00  0.00           H  
HETATM   41  H   UNL     1       0.790   1.813  -2.291  1.00  0.00           H  
HETATM   42  H   UNL     1       3.057   1.856  -1.638  1.00  0.00           H  
HETATM   43  H   UNL     1       4.593  -1.218   0.891  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.137  -1.283   1.289  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.945   4.360   1.546  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.617   6.082   2.697  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.215   6.319   2.220  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.126   4.831   0.593  1.00  0.00           H  
CONECT    1   16   16   18   17                                       
CONECT    2   21   20    6    6                                       
CONECT    3   21   21   22   33                                       
CONECT    4   23   34   35   36                                       
CONECT    5   22   22    6   37                                       
CONECT    6    2    2    5   38                                       
CONECT    7    9   25   25   32                                       
CONECT    8    9    9                                                 
CONECT    9    8    8    7   10                                       
CONECT   10    9   11   39                                            
CONECT   11   12   10   40   41                                       
CONECT   12   13   11   18   18                                       
CONECT   13   14   14   12   42                                       
CONECT   14   15   13   13   16                                       
CONECT   15   14                                                      
CONECT   16   14    1    1   43                                       
CONECT   17    1                                                      
CONECT   18   12   12    1   19                                       
CONECT   19   20   18                                                 
CONECT   20   24   24    2   19                                       
CONECT   21    3    3    2   44                                       
CONECT   22    3   23    5    5                                       
CONECT   23   22    4                                                 
CONECT   24   20   20                                                 
CONECT   25   26    7    7   29                                       
CONECT   26   28   28   27   25                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29   25   30   30   45                                       
CONECT   30   29   29   31   46                                       
CONECT   31   32   32   30   47                                       
CONECT   32    7   31   31   48                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
CONECT   48   32                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
