COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.790  -2.696   1.947  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.661  -2.081   0.664  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.356  -0.931   0.458  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.650  -0.981  -0.041  1.00  0.00           C  
HETATM    5 BR   UNL     1      -5.446  -2.648  -0.443  1.00  0.00          Br  
HETATM    6  C   UNL     1      -5.357   0.190  -0.244  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.775   1.410   0.050  1.00  0.00           C  
HETATM    8 BR   UNL     1      -5.744   3.010  -0.228  1.00  0.00          Br  
HETATM    9  C   UNL     1      -3.485   1.461   0.548  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.775   0.294   0.752  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.372   0.351   1.300  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.410   0.200   0.200  1.00  0.00           N  
HETATM   13  C   UNL     1       0.971   0.251   0.698  1.00  0.00           C  
HETATM   14  C   UNL     1       1.941   0.091  -0.473  1.00  0.00           C  
HETATM   15  C   UNL     1       3.380   0.144   0.045  1.00  0.00           C  
HETATM   16  N   UNL     1       4.309  -0.009  -1.077  1.00  0.00           N  
HETATM   17  C   UNL     1       5.664   0.006  -0.853  1.00  0.00           C  
HETATM   18  C   UNL     1       6.518  -0.139  -1.921  1.00  0.00           C  
HETATM   19  C   UNL     1       7.907  -0.126  -1.716  1.00  0.00           C  
HETATM   20  O   UNL     1       8.682  -0.254  -2.651  1.00  0.00           O  
HETATM   21  C   UNL     1       8.403   0.046  -0.337  1.00  0.00           C  
HETATM   22  C   UNL     1       9.769   0.069  -0.059  1.00  0.00           C  
HETATM   23  C   UNL     1      10.197   0.233   1.240  1.00  0.00           C  
HETATM   24  C   UNL     1       9.276   0.374   2.269  1.00  0.00           C  
HETATM   25  C   UNL     1       7.923   0.352   2.009  1.00  0.00           C  
HETATM   26  C   UNL     1       7.471   0.189   0.703  1.00  0.00           C  
HETATM   27  N   UNL     1       6.121   0.171   0.418  1.00  0.00           N  
HETATM   28  H   UNL     1      -2.447  -2.004   2.717  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.835  -2.949   2.126  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.186  -3.602   1.978  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.364   0.152  -0.633  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.033   2.415   0.776  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.214   1.310   1.793  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.231  -0.455   2.020  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.579  -0.652  -0.313  1.00  0.00           H  
HETATM   36  H   UNL     1       1.146   1.209   1.187  1.00  0.00           H  
HETATM   37  H   UNL     1       1.129  -0.556   1.414  1.00  0.00           H  
HETATM   38  H   UNL     1       1.766  -0.868  -0.962  1.00  0.00           H  
HETATM   39  H   UNL     1       1.783   0.898  -1.189  1.00  0.00           H  
HETATM   40  H   UNL     1       3.555   1.102   0.534  1.00  0.00           H  
HETATM   41  H   UNL     1       3.538  -0.663   0.761  1.00  0.00           H  
HETATM   42  H   UNL     1       3.968  -0.122  -1.978  1.00  0.00           H  
HETATM   43  H   UNL     1       6.120  -0.264  -2.918  1.00  0.00           H  
HETATM   44  H   UNL     1      10.488  -0.041  -0.858  1.00  0.00           H  
HETATM   45  H   UNL     1      11.254   0.251   1.459  1.00  0.00           H  
HETATM   46  H   UNL     1       9.624   0.501   3.283  1.00  0.00           H  
HETATM   47  H   UNL     1       7.215   0.463   2.817  1.00  0.00           H  
HETATM   48  H   UNL     1       5.483   0.274   1.141  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    4    4   10    2                                       
CONECT    4    6    5    3    3                                       
CONECT    5    4                                                      
CONECT    6    7    7    4   31                                       
CONECT    7    8    6    6    9                                       
CONECT    8    7                                                      
CONECT    9    7   10   10   32                                       
CONECT   10    9    9    3   11                                       
CONECT   11   10   12   33   34                                       
CONECT   12   11   13   35                                            
CONECT   13   12   14   36   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   42                                            
CONECT   17   16   18   18   27                                       
CONECT   18   17   17   19   43                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   26   26   22                                       
CONECT   22   21   23   23   44                                       
CONECT   23   22   22   24   45                                       
CONECT   24   25   25   23   46                                       
CONECT   25   26   24   24   47                                       
CONECT   26   27   21   21   25                                       
CONECT   27   17   26   48                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
