COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.386  -3.255   1.062  1.00  0.00           O  
HETATM    2  C   UNL     1       0.438  -2.432   0.721  1.00  0.00           C  
HETATM    3  C   UNL     1       1.832  -2.299   1.258  1.00  0.00           C  
HETATM    4  O   UNL     1       2.365  -2.978   2.110  1.00  0.00           O  
HETATM    5  C   UNL     1       2.412  -1.161   0.521  1.00  0.00           C  
HETATM    6  C   UNL     1       3.660  -0.540   0.557  1.00  0.00           C  
HETATM    7  C   UNL     1       3.916   0.533  -0.275  1.00  0.00           C  
HETATM    8 BR   UNL     1       5.606   1.380  -0.232  1.00  0.00          Br  
HETATM    9  C   UNL     1       2.935   0.988  -1.140  1.00  0.00           C  
HETATM   10  C   UNL     1       1.694   0.379  -1.184  1.00  0.00           C  
HETATM   11  C   UNL     1       1.416  -0.700  -0.356  1.00  0.00           C  
HETATM   12  N   UNL     1       0.269  -1.479  -0.211  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.964  -1.281  -0.976  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.907  -0.406  -0.192  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.494   0.166   0.991  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.356   0.970   1.718  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.643   1.209   1.264  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.473   2.000   1.998  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.628   2.518   1.328  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.284   1.371   0.547  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.330   0.865  -0.393  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.075   0.641   0.072  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.201  -0.169  -0.666  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.646  -0.774  -1.935  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.253  -1.827  -1.926  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.380  -0.160  -3.104  1.00  0.00           O  
HETATM   27  H   UNL     1       4.424  -0.897   1.233  1.00  0.00           H  
HETATM   28  H   UNL     1       3.141   1.827  -1.788  1.00  0.00           H  
HETATM   29  H   UNL     1       0.938   0.745  -1.863  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.729  -0.801  -1.927  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.435  -2.246  -1.163  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.492  -0.014   1.353  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.022   1.414   2.645  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.332   2.914   2.060  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.330   3.308   0.639  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.577   0.578   1.235  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.162   1.742   0.018  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.626  -0.630  -3.913  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6   11                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7   10   28                                       
CONECT   10    9   11   11   29                                       
CONECT   11    5   10   10   12                                       
CONECT   12    2   11   13                                            
CONECT   13   12   14   30   31                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14   16   32                                       
CONECT   16   15   17   17   33                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   34   35                                       
CONECT   20   19   21   36   37                                       
CONECT   21   20   22                                                 
CONECT   22   17   21   23   23                                       
CONECT   23   14   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   38                                                 
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   26                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
