COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.590  -0.512   0.377  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.597   0.642  -0.379  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.085   0.622  -1.673  1.00  0.00           C  
HETATM    4  C   UNL     1       1.311   2.155  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.072   1.927   0.207  1.00  0.00           C  
HETATM    6  C   UNL     1       0.975   4.335   1.194  1.00  0.00           C  
HETATM    7  C   UNL     1       0.498   3.424   0.035  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.597   2.045  -0.083  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.292   5.188   1.462  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.441   4.189   1.210  1.00  0.00           C  
HETATM   11  C   UNL     1       3.111   0.883  -0.886  1.00  0.00           C  
HETATM   12  C   UNL     1       4.188   0.791  -1.760  1.00  0.00           C  
HETATM   13  C   UNL     1       4.869  -0.409  -1.865  1.00  0.00           C  
HETATM   14  C   UNL     1       4.448  -1.480  -1.089  1.00  0.00           C  
HETATM   15  C   UNL     1       3.369  -1.317  -0.240  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.073  -1.705  -0.170  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.591  -4.223   0.036  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.070  -2.940   0.630  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.648  -2.925   1.766  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.560  -1.717  -1.481  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.570  -0.553  -2.220  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.029   1.172  -0.703  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.910   3.122   0.349  1.00  0.00           N  
HETATM   24  O   UNL     1       0.970   1.197   0.657  1.00  0.00           O  
HETATM   25  N   UNL     1       2.416   2.086  -0.771  1.00  0.00           N  
HETATM   26  N   UNL     1       2.736  -0.162  -0.165  1.00  0.00           N  
HETATM   27 BR   UNL     1       2.789  -2.771   0.821  1.00  0.00          Br  
HETATM   28  H   UNL     1      -3.209  -0.495   1.388  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.088   1.529  -2.260  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.598   2.771  -0.238  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.231   1.927   1.285  1.00  0.00           H  
HETATM   32  H   UNL     1       1.242   3.745   2.070  1.00  0.00           H  
HETATM   33  H   UNL     1       1.809   4.963   0.880  1.00  0.00           H  
HETATM   34  H   UNL     1       0.572   3.950  -0.916  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.308   5.542   2.493  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.347   6.026   0.767  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.780   3.767   2.156  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.269   4.693   0.711  1.00  0.00           H  
HETATM   39  H   UNL     1       4.489   1.644  -2.350  1.00  0.00           H  
HETATM   40  H   UNL     1       5.709  -0.511  -2.536  1.00  0.00           H  
HETATM   41  H   UNL     1       4.961  -2.429  -1.144  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.925  -4.042  -0.985  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.797  -4.970   0.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.428  -4.586   0.633  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.938  -2.634  -1.909  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.946  -0.562  -3.233  1.00  0.00           H  
HETATM   47  H   UNL     1       2.728   2.874  -1.244  1.00  0.00           H  
CONECT    1   16   16    2   28                                       
CONECT    2    3    3    1    5                                       
CONECT    3   21    2    2   29                                       
CONECT    4   25   24   24    7                                       
CONECT    5    2    8   30   31                                       
CONECT    6    7    9   32   33                                       
CONECT    7    4   23    6   34                                       
CONECT    8   22   22    5   23                                       
CONECT    9    6   10   35   36                                       
CONECT   10   23    9   37   38                                       
CONECT   11   26   26   12   25                                       
CONECT   12   13   13   11   39                                       
CONECT   13   14   12   12   40                                       
CONECT   14   15   15   13   41                                       
CONECT   15   27   14   14   26                                       
CONECT   16   20   18    1    1                                       
CONECT   17   18   42   43   44                                       
CONECT   18   19   19   16   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   21   16   45                                       
CONECT   21   20   20    3   46                                       
CONECT   22    8    8                                                 
CONECT   23    8    7   10                                            
CONECT   24    4    4                                                 
CONECT   25   11    4   47                                            
CONECT   26   15   11   11                                            
CONECT   27   15                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
