COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.923   4.015   1.551  1.00  0.00           C  
HETATM    2  C   UNL     1       2.762   2.738   1.629  1.00  0.00           C  
HETATM    3  O   UNL     1       2.625   2.003   0.412  1.00  0.00           O  
HETATM    4  C   UNL     1       3.312   0.833   0.317  1.00  0.00           C  
HETATM    5  C   UNL     1       4.605   0.825  -0.188  1.00  0.00           C  
HETATM    6 BR   UNL     1       5.413   2.441  -0.744  1.00  0.00          Br  
HETATM    7  C   UNL     1       5.301  -0.365  -0.283  1.00  0.00           C  
HETATM    8  C   UNL     1       4.709  -1.548   0.125  1.00  0.00           C  
HETATM    9 BR   UNL     1       5.664  -3.175  -0.006  1.00  0.00          Br  
HETATM   10  C   UNL     1       3.421  -1.541   0.628  1.00  0.00           C  
HETATM   11  C   UNL     1       2.723  -0.353   0.730  1.00  0.00           C  
HETATM   12  C   UNL     1       1.322  -0.347   1.284  1.00  0.00           C  
HETATM   13  N   UNL     1       0.358  -0.296   0.176  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.022  -0.289   0.680  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.995  -0.236  -0.500  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.432  -0.228   0.025  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.364  -0.177  -1.105  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.719  -0.162  -0.877  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.574  -0.114  -1.953  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.962  -0.098  -1.745  1.00  0.00           C  
HETATM   21  O   UNL     1      -8.739  -0.056  -2.687  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.456  -0.133  -0.355  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.821  -0.114  -0.073  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.246  -0.143   1.238  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.324  -0.190   2.273  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.971  -0.208   2.009  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.522  -0.180   0.693  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.172  -0.199   0.405  1.00  0.00           N  
HETATM   29  H   UNL     1       0.876   3.753   1.400  1.00  0.00           H  
HETATM   30  H   UNL     1       2.027   4.576   2.479  1.00  0.00           H  
HETATM   31  H   UNL     1       2.269   4.626   0.716  1.00  0.00           H  
HETATM   32  H   UNL     1       3.809   3.000   1.780  1.00  0.00           H  
HETATM   33  H   UNL     1       2.417   2.127   2.464  1.00  0.00           H  
HETATM   34  H   UNL     1       6.307  -0.372  -0.675  1.00  0.00           H  
HETATM   35  H   UNL     1       2.961  -2.466   0.945  1.00  0.00           H  
HETATM   36  H   UNL     1       1.158  -1.252   1.868  1.00  0.00           H  
HETATM   37  H   UNL     1       1.188   0.527   1.922  1.00  0.00           H  
HETATM   38  H   UNL     1       0.504  -1.061  -0.465  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.203  -1.194   1.260  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.173   0.585   1.314  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.815   0.669  -1.079  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.845  -1.109  -1.134  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.613  -1.133   0.604  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.583   0.646   0.659  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.024  -0.155  -2.013  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.178  -0.089  -2.957  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.542  -0.077  -0.876  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.303  -0.128   1.460  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.670  -0.213   3.296  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.262  -0.245   2.822  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.533  -0.232   1.133  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5   11                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5                                                      
CONECT    7    5    8    8   34                                       
CONECT    8    7    7   10    9                                       
CONECT    9    8                                                      
CONECT   10   11   11    8   35                                       
CONECT   11    4   12   10   10                                       
CONECT   12   13   11   36   37                                       
CONECT   13   14   12   38                                            
CONECT   14   15   13   39   40                                       
CONECT   15   16   14   41   42                                       
CONECT   16   17   15   43   44                                       
CONECT   17   18   16   45                                            
CONECT   18   28   19   19   17                                       
CONECT   19   20   18   18   46                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   27   20                                       
CONECT   23   24   22   22   47                                       
CONECT   24   25   25   23   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27   50                                       
CONECT   27   26   26   22   28                                       
CONECT   28   27   18   51                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
