COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.959  -0.491  -0.587  1.00  0.00           C  
HETATM    2  C   UNL     1       1.565  -1.829  -0.606  1.00  0.00           C  
HETATM    3  C   UNL     1       0.215  -2.120  -0.524  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.657  -1.128  -0.431  1.00  0.00           N  
HETATM    5  N   UNL     1       1.031   0.453  -0.486  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.421   3.163  -1.836  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.845   2.050  -1.046  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.871   1.287  -0.481  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.537   1.604  -0.684  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.213   0.192   0.304  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.524  -0.117   0.507  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.132  -1.010  -0.429  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.217  -0.587   0.881  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.551  -1.658   1.648  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.476  -2.414   2.210  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.884  -0.271   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.543   0.826  -0.107  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.195   1.144  -0.316  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.252   0.134  -0.415  1.00  0.00           C  
HETATM   20 BR   UNL     1       2.846  -3.213  -0.742  1.00  0.00          Br  
HETATM   21  O   UNL     1       3.271  -0.160  -0.665  1.00  0.00           O  
HETATM   22  C   UNL     1       3.592   1.156  -0.744  1.00  0.00           C  
HETATM   23  C   UNL     1       3.867   1.733  -1.975  1.00  0.00           C  
HETATM   24  C   UNL     1       4.194   3.073  -2.054  1.00  0.00           C  
HETATM   25  C   UNL     1       4.249   3.849  -0.908  1.00  0.00           C  
HETATM   26  C   UNL     1       3.979   3.292   0.323  1.00  0.00           C  
HETATM   27  C   UNL     1       3.642   1.940   0.417  1.00  0.00           C  
HETATM   28  C   UNL     1       3.351   1.337   1.732  1.00  0.00           C  
HETATM   29  O   UNL     1       3.058   0.160   1.810  1.00  0.00           O  
HETATM   30  N   UNL     1       3.411   2.092   2.847  1.00  0.00           N  
HETATM   31  C   UNL     1       3.122   1.493   4.153  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.123  -3.146  -0.537  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.836   3.845  -1.218  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.809   2.808  -2.665  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.294   3.685  -2.226  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.271   2.457  -1.291  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.601  -1.962  -0.420  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.174  -1.172  -0.152  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.085  -0.577  -1.428  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.853  -2.811   1.408  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.875  -1.770   2.852  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.880  -3.238   2.798  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.110  -0.876   1.121  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.922   2.071  -0.392  1.00  0.00           H  
HETATM   45  H   UNL     1       3.826   1.134  -2.872  1.00  0.00           H  
HETATM   46  H   UNL     1       4.407   3.517  -3.014  1.00  0.00           H  
HETATM   47  H   UNL     1       4.506   4.896  -0.980  1.00  0.00           H  
HETATM   48  H   UNL     1       4.024   3.901   1.214  1.00  0.00           H  
HETATM   49  H   UNL     1       3.220   2.251   4.930  1.00  0.00           H  
HETATM   50  H   UNL     1       2.106   1.099   4.155  1.00  0.00           H  
HETATM   51  H   UNL     1       3.826   0.683   4.345  1.00  0.00           H  
HETATM   52  H   UNL     1       3.645   3.031   2.786  1.00  0.00           H  
CONECT    1    5    5    2   21                                       
CONECT    2    3    3    1   20                                       
CONECT    3    4    2    2   32                                       
CONECT    4   19   19    3                                            
CONECT    5   19    1    1                                            
CONECT    6    7   33   34   35                                       
CONECT    7    6    8                                                 
CONECT    8   10   10    9    7                                       
CONECT    9   17   17    8   36                                       
CONECT   10   13   11    8    8                                       
CONECT   11   12   10                                                 
CONECT   12   11   37   38   39                                       
CONECT   13   14   16   16   10                                       
CONECT   14   13   15                                                 
CONECT   15   14   40   41   42                                       
CONECT   16   13   13   17   43                                       
CONECT   17   16   18    9    9                                       
CONECT   18   17   19   44                                            
CONECT   19   18    4    4    5                                       
CONECT   20    2                                                      
CONECT   21   22    1                                                 
CONECT   22   23   23   27   21                                       
CONECT   23   24   22   22   45                                       
CONECT   24   25   25   23   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   22   28                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   52                                            
CONECT   31   30   49   50   51                                       
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
