COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.686   0.861  -0.285  1.00  0.00           C  
HETATM    2  C   UNL     1       4.296  -0.248   0.191  1.00  0.00           C  
HETATM    3  C   UNL     1       3.299  -1.218   0.381  1.00  0.00           C  
HETATM    4  C   UNL     1       2.117  -0.645   0.007  1.00  0.00           C  
HETATM    5  C   UNL     1       0.801  -1.288   0.038  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.563  -1.306  -0.304  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.662  -0.393  -0.784  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.002   0.037  -1.311  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.433   1.066  -0.298  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.729   2.248  -0.170  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.125   3.192   0.759  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.225   2.952   1.561  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.929   1.770   1.434  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.537   0.829   0.500  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.285  -2.081  -0.112  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.374  -3.177  -0.669  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.744  -2.427  -0.418  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.092  -1.977   1.402  1.00  0.00           C  
HETATM   19  N   UNL     1       4.359   2.132  -0.634  1.00  0.00           N1+
HETATM   20  N   UNL     1      -3.945  -0.800  -0.737  1.00  0.00           N  
HETATM   21  O   UNL     1       2.373   0.618  -0.394  1.00  0.00           O  
HETATM   22  O   UNL     1       5.564   2.242  -0.494  1.00  0.00           O  
HETATM   23  O   UNL     1       3.708   3.069  -1.060  1.00  0.00           O1-
HETATM   24  O   UNL     1       0.694  -2.437   0.423  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.292  -0.606  -0.361  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.391   0.709  -1.212  1.00  0.00           O  
HETATM   27 BR   UNL     1       6.144  -0.454   0.534  1.00  0.00          Br  
HETATM   28  H   UNL     1       3.440  -2.223   0.751  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.765  -1.609   0.723  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.520  -2.189  -0.941  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.853  -0.587  -1.582  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.623   0.540  -2.201  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.869   2.435  -0.797  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.574   4.115   0.859  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.534   3.689   2.288  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.788   1.583   2.061  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.087  -0.095   0.400  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.407  -3.135  -0.168  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.830  -4.152  -0.495  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.236  -3.026  -1.739  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.868  -2.560  -1.493  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.014  -3.349   0.096  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.389  -1.618  -0.075  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.826  -1.286   1.815  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.225  -2.960   1.853  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.088  -1.612   1.616  1.00  0.00           H  
CONECT    1    2    2   21   19                                       
CONECT    2   27    3    1    1                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   21                                       
CONECT    5   25    4   24   24                                       
CONECT    6   25    7   29   30                                       
CONECT    7   20    6   26   26                                       
CONECT    8    9   20   31   32                                       
CONECT    9   14   14   10    8                                       
CONECT   10   11   11    9   33                                       
CONECT   11   12   10   10   34                                       
CONECT   12   13   13   11   35                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13    9    9   37                                       
CONECT   15   16   20   17   18                                       
CONECT   16   15   38   39   40                                       
CONECT   17   15   41   42   43                                       
CONECT   18   15   44   45   46                                       
CONECT   19    1   22   22   23                                       
CONECT   20    8   15    7                                            
CONECT   21    4    1                                                 
CONECT   22   19   19                                                 
CONECT   23   19                                                      
CONECT   24    5    5                                                 
CONECT   25    6    5                                                 
CONECT   26    7    7                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
