COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.982  -1.292  -0.230  1.00  0.00           C  
HETATM    2  C   UNL     1       4.347  -1.099  -0.289  1.00  0.00           C  
HETATM    3  C   UNL     1       4.880   0.161  -0.075  1.00  0.00           C  
HETATM    4 BR   UNL     1       6.751   0.419  -0.157  1.00  0.00          Br  
HETATM    5  C   UNL     1       4.047   1.232   0.199  1.00  0.00           C  
HETATM    6  C   UNL     1       2.681   1.048   0.261  1.00  0.00           C  
HETATM    7  C   UNL     1       2.139  -0.216   0.040  1.00  0.00           C  
HETATM    8  C   UNL     1       0.670  -0.419   0.104  1.00  0.00           C  
HETATM    9  C   UNL     1       0.006  -1.632  -0.091  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.226   0.518   0.361  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.501  -0.059   0.334  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.749   0.458   0.530  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.929   1.921   0.843  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.352  -1.394   0.053  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.424  -2.195  -0.030  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.634  -1.721   0.151  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.823  -2.642   0.053  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.825  -0.362   0.438  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.215   0.182   0.647  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.833   0.535  -0.707  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.223   1.079  -0.498  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.672   1.175   0.619  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.961   1.457  -1.554  1.00  0.00           O  
HETATM   24  H   UNL     1       2.567  -2.275  -0.398  1.00  0.00           H  
HETATM   25  H   UNL     1       5.001  -1.931  -0.503  1.00  0.00           H  
HETATM   26  H   UNL     1       4.468   2.211   0.371  1.00  0.00           H  
HETATM   27  H   UNL     1       2.032   1.885   0.475  1.00  0.00           H  
HETATM   28  H   UNL     1       0.467  -2.583  -0.314  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.955   2.408   0.874  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.544   2.385   0.072  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.419   2.027   1.811  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.483  -3.652  -0.174  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.361  -2.644   1.001  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.486  -2.295  -0.740  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.829  -0.570   1.143  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.165   1.077   1.268  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.219   1.287  -1.202  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.883  -0.360  -1.328  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.847   1.800  -1.370  1.00  0.00           H  
CONECT    1    7    7    2   24                                       
CONECT    2    3    3    1   25                                       
CONECT    3    5    4    2    2                                       
CONECT    4    3                                                      
CONECT    5    6    6    3   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    1    1                                       
CONECT    8    9    7   10   10                                       
CONECT    9   14   14    8   28                                       
CONECT   10    8    8   11                                            
CONECT   11   14   10   12                                            
CONECT   12   11   18   18   13                                       
CONECT   13   12   29   30   31                                       
CONECT   14    9    9   15   11                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   18                                       
CONECT   17   16   32   33   34                                       
CONECT   18   16   12   12   19                                       
CONECT   19   18   20   35   36                                       
CONECT   20   19   21   37   38                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   21   39                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
