COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -6.788   1.269  -0.313  1.00  0.00          Br  
HETATM    2  C   UNL     1      -5.204   0.283  -0.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.820  -0.707  -0.890  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.662  -1.427  -0.663  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.888  -1.158   0.450  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.271  -0.169   1.337  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.426   0.556   1.107  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.626  -1.944   0.697  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.447  -1.240   0.023  1.00  0.00           C  
HETATM   10  N   UNL     1       0.783  -2.006   0.265  1.00  0.00           N  
HETATM   11  C   UNL     1       0.729  -3.313  -0.403  1.00  0.00           C  
HETATM   12  C   UNL     1       1.968  -1.247  -0.160  1.00  0.00           C  
HETATM   13  C   UNL     1       3.228  -2.075   0.106  1.00  0.00           C  
HETATM   14  C   UNL     1       4.462  -1.256  -0.281  1.00  0.00           C  
HETATM   15  N   UNL     1       4.494  -0.016   0.505  1.00  0.00           N  
HETATM   16  C   UNL     1       3.316   0.817   0.231  1.00  0.00           C  
HETATM   17  C   UNL     1       2.049   0.060   0.633  1.00  0.00           C  
HETATM   18  C   UNL     1       5.663   0.686   0.275  1.00  0.00           C  
HETATM   19  N   UNL     1       6.005   1.863   0.839  1.00  0.00           N  
HETATM   20  N   UNL     1       7.265   2.202   0.319  1.00  0.00           N  
HETATM   21  C   UNL     1       7.609   1.243  -0.505  1.00  0.00           C  
HETATM   22  N   UNL     1       6.640   0.321  -0.528  1.00  0.00           N  
HETATM   23  N   UNL     1       8.797   1.187  -1.235  1.00  0.00           N  
HETATM   24  H   UNL     1      -5.425  -0.917  -1.760  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.363  -2.200  -1.355  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.666   0.041   2.206  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.722   1.332   1.798  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.444  -2.011   1.770  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.736  -2.946   0.284  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.628  -1.173  -1.049  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.337  -0.237   0.437  1.00  0.00           H  
HETATM   32  H   UNL     1       0.612  -3.168  -1.477  1.00  0.00           H  
HETATM   33  H   UNL     1       1.652  -3.859  -0.208  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.118  -3.882  -0.019  1.00  0.00           H  
HETATM   35  H   UNL     1       1.896  -1.025  -1.224  1.00  0.00           H  
HETATM   36  H   UNL     1       3.279  -2.331   1.165  1.00  0.00           H  
HETATM   37  H   UNL     1       3.196  -2.988  -0.488  1.00  0.00           H  
HETATM   38  H   UNL     1       5.361  -1.837  -0.079  1.00  0.00           H  
HETATM   39  H   UNL     1       4.417  -1.012  -1.342  1.00  0.00           H  
HETATM   40  H   UNL     1       3.385   1.742   0.804  1.00  0.00           H  
HETATM   41  H   UNL     1       3.277   1.051  -0.833  1.00  0.00           H  
HETATM   42  H   UNL     1       1.174   0.673   0.415  1.00  0.00           H  
HETATM   43  H   UNL     1       2.081  -0.162   1.700  1.00  0.00           H  
HETATM   44  H   UNL     1       5.483   2.375   1.477  1.00  0.00           H  
HETATM   45  H   UNL     1       8.974   0.433  -1.818  1.00  0.00           H  
HETATM   46  H   UNL     1       9.447   1.903  -1.157  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   24                                       
CONECT    4    3    3    5   25                                       
CONECT    5    4    8    6    6                                       
CONECT    6    5    5    7   26                                       
CONECT    7    2    2    6   27                                       
CONECT    8    5    9   28   29                                       
CONECT    9    8   10   30   31                                       
CONECT   10   12    9   11                                            
CONECT   11   10   32   33   34                                       
CONECT   12   17   13   10   35                                       
CONECT   13   14   12   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   18   16   14                                            
CONECT   16   15   17   40   41                                       
CONECT   17   16   12   42   43                                       
CONECT   18   22   22   19   15                                       
CONECT   19   20   18   44                                            
CONECT   20   21   21   19                                            
CONECT   21   23   22   20   20                                       
CONECT   22   21   18   18                                            
CONECT   23   21   45   46                                            
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
