COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.810  -1.015  -0.663  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.576  -2.519  -0.823  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.023  -3.061   0.426  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.854  -4.518   0.338  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.753  -2.404   0.765  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.987  -0.900   0.924  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.540  -0.357  -0.324  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.708   1.099  -0.237  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.356   1.756  -0.133  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.287   1.010  -0.134  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.062   1.551  -0.044  1.00  0.00           C  
HETATM   12  C   UNL     1       1.303   1.004  -0.019  1.00  0.00           C  
HETATM   13  C   UNL     1       1.834  -0.283  -0.079  1.00  0.00           C  
HETATM   14  C   UNL     1       3.200  -0.461  -0.031  1.00  0.00           C  
HETATM   15 BR   UNL     1       3.926  -2.205  -0.113  1.00  0.00          Br  
HETATM   16  C   UNL     1       4.044   0.635   0.078  1.00  0.00           C  
HETATM   17  C   UNL     1       3.531   1.913   0.139  1.00  0.00           C  
HETATM   18  C   UNL     1       2.156   2.115   0.091  1.00  0.00           C  
HETATM   19  O   UNL     1       1.396   3.230   0.130  1.00  0.00           O  
HETATM   20  C   UNL     1       0.083   2.931   0.052  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.087   3.725   0.052  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.017   4.940   0.134  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.284   3.108  -0.047  1.00  0.00           N  
HETATM   24  H   UNL     1      -5.193  -0.605  -1.598  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.533  -0.842   0.134  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.522  -3.012  -1.046  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.874  -2.693  -1.638  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.173  -4.756  -0.478  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.443  -4.893   1.276  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.821  -4.985   0.153  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.369  -2.813   1.699  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.030  -2.577  -0.032  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.689  -0.725   1.740  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.041  -0.406   1.147  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.220   1.460  -1.129  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.300   1.344   0.646  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.098   3.634  -0.053  1.00  0.00           H  
HETATM   38  H   UNL     1       1.178  -1.136  -0.164  1.00  0.00           H  
HETATM   39  H   UNL     1       5.113   0.486   0.115  1.00  0.00           H  
HETATM   40  H   UNL     1       4.198   2.758   0.224  1.00  0.00           H  
CONECT    1    2    7   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    2    4    5                                            
CONECT    4    3   28   29   30                                       
CONECT    5    3    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   35   36                                       
CONECT    9    8   10   10   23                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   20   20                                       
CONECT   12   11   13   18   18                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   17   39                                       
CONECT   17   16   16   18   40                                       
CONECT   18   12   12   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   11   11   19   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23    9   21   37                                            
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   23                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
