COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       5.981   5.388   1.289  1.00  0.00           N  
HETATM    2  C   UNL     1       5.969   3.919   1.291  1.00  0.00           C  
HETATM    3  C   UNL     1       5.931   3.407  -0.150  1.00  0.00           C  
HETATM    4  C   UNL     1       5.918   1.900  -0.148  1.00  0.00           C  
HETATM    5  C   UNL     1       4.717   1.222  -0.119  1.00  0.00           C  
HETATM    6  C   UNL     1       7.111   1.200  -0.180  1.00  0.00           C  
HETATM    7  C   UNL     1       7.109  -0.185  -0.178  1.00  0.00           C  
HETATM    8 BR   UNL     1       8.746  -1.131  -0.222  1.00  0.00          Br  
HETATM    9  C   UNL     1       5.915  -0.876  -0.143  1.00  0.00           C  
HETATM   10  C   UNL     1       4.707  -0.175  -0.117  1.00  0.00           C  
HETATM   11  C   UNL     1       3.464  -0.885  -0.081  1.00  0.00           C  
HETATM   12  C   UNL     1       2.444  -1.467  -0.051  1.00  0.00           C  
HETATM   13  C   UNL     1       1.202  -2.177  -0.015  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.004  -1.476   0.012  1.00  0.00           C  
HETATM   15  C   UNL     1       1.193  -3.576  -0.012  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.005  -4.262   0.017  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.202  -3.574   0.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.209  -2.176   0.047  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.452  -1.465   0.075  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.470  -0.882   0.097  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.713  -0.170   0.125  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.722   1.227   0.129  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.922  -0.870   0.143  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.116  -0.178   0.170  1.00  0.00           C  
HETATM   25 BR   UNL     1      -8.754  -1.122   0.194  1.00  0.00          Br  
HETATM   26  C   UNL     1      -7.116   1.207   0.179  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.923   1.906   0.156  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.934   3.413   0.160  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.968   3.926  -1.281  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.979   5.395  -1.277  1.00  0.00           N  
HETATM   31  H   UNL     1       6.006   5.751   2.230  1.00  0.00           H  
HETATM   32  H   UNL     1       6.753   5.742   0.744  1.00  0.00           H  
HETATM   33  H   UNL     1       6.867   3.549   1.785  1.00  0.00           H  
HETATM   34  H   UNL     1       5.088   3.564   1.826  1.00  0.00           H  
HETATM   35  H   UNL     1       5.032   3.777  -0.644  1.00  0.00           H  
HETATM   36  H   UNL     1       6.812   3.762  -0.685  1.00  0.00           H  
HETATM   37  H   UNL     1       3.787   1.770  -0.098  1.00  0.00           H  
HETATM   38  H   UNL     1       8.048   1.736  -0.207  1.00  0.00           H  
HETATM   39  H   UNL     1       5.914  -1.956  -0.141  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.003  -0.396   0.005  1.00  0.00           H  
HETATM   41  H   UNL     1       2.125  -4.120  -0.032  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.005  -5.342   0.014  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.135  -4.118   0.065  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.791   1.774   0.111  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.923  -1.950   0.135  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.053   1.743   0.200  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.816   3.768   0.693  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.036   3.781   0.656  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.086   3.571  -1.814  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.866   3.557  -1.777  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.189   5.761  -0.766  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.001   5.759  -2.218  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    3    1   33   34                                       
CONECT    3    4    2   35   36                                       
CONECT    4    6    6    5    3                                       
CONECT    5   10   10    4   37                                       
CONECT    6    7    4    4   38                                       
CONECT    7    8    9    9    6                                       
CONECT    8    7                                                      
CONECT    9    7    7   10   39                                       
CONECT   10   11    9    5    5                                       
CONECT   11   12   12   12   10                                       
CONECT   12   13   11   11   11                                       
CONECT   13   15   15   14   12                                       
CONECT   14   18   18   13   40                                       
CONECT   15   16   13   13   41                                       
CONECT   16   17   17   15   42                                       
CONECT   17   16   16   18   43                                       
CONECT   18   17   19   14   14                                       
CONECT   19   18   20   20   20                                       
CONECT   20   19   19   19   21                                       
CONECT   21   20   23   23   22                                       
CONECT   22   21   27   27   44                                       
CONECT   23   21   21   24   45                                       
CONECT   24   25   23   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   46                                       
CONECT   27   22   22   26   28                                       
CONECT   28   27   29   47   48                                       
CONECT   29   28   30   49   50                                       
CONECT   30   29   51   52                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
