COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.054  -0.021   1.639  1.00  0.00           C  
HETATM    2  O   UNL     1       4.885  -0.846   1.884  1.00  0.00           O  
HETATM    3  C   UNL     1       3.833  -0.670   1.070  1.00  0.00           C  
HETATM    4  O   UNL     1       3.886   0.148   0.182  1.00  0.00           O  
HETATM    5  C   UNL     1       2.584  -1.491   1.265  1.00  0.00           C  
HETATM    6  N   UNL     1       1.589  -1.113   0.258  1.00  0.00           N  
HETATM    7  C   UNL     1       1.541  -1.754  -0.953  1.00  0.00           C  
HETATM    8  C   UNL     1       2.807  -2.304  -1.558  1.00  0.00           C  
HETATM    9  N   UNL     1       0.412  -1.891  -1.584  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.755  -1.403  -1.059  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.987  -1.820  -1.565  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.154  -1.320  -1.025  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.108  -0.407   0.015  1.00  0.00           C  
HETATM   14 BR   UNL     1      -4.715   0.270   0.746  1.00  0.00          Br  
HETATM   15  C   UNL     1      -1.889   0.011   0.522  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.718  -0.482  -0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       0.618  -0.041   0.528  1.00  0.00           C  
HETATM   18  C   UNL     1       1.049   1.226  -0.164  1.00  0.00           C  
HETATM   19  C   UNL     1       0.908   2.444   0.474  1.00  0.00           C  
HETATM   20  C   UNL     1       1.304   3.607  -0.160  1.00  0.00           C  
HETATM   21  C   UNL     1       1.842   3.551  -1.432  1.00  0.00           C  
HETATM   22  C   UNL     1       1.983   2.333  -2.070  1.00  0.00           C  
HETATM   23  C   UNL     1       1.591   1.170  -1.434  1.00  0.00           C  
HETATM   24  H   UNL     1       6.830  -0.263   2.365  1.00  0.00           H  
HETATM   25  H   UNL     1       6.427  -0.209   0.632  1.00  0.00           H  
HETATM   26  H   UNL     1       5.783   1.031   1.735  1.00  0.00           H  
HETATM   27  H   UNL     1       2.825  -2.549   1.158  1.00  0.00           H  
HETATM   28  H   UNL     1       2.180  -1.309   2.260  1.00  0.00           H  
HETATM   29  H   UNL     1       0.545   0.129   1.602  1.00  0.00           H  
HETATM   30  H   UNL     1       2.953  -3.332  -1.224  1.00  0.00           H  
HETATM   31  H   UNL     1       2.729  -2.283  -2.645  1.00  0.00           H  
HETATM   32  H   UNL     1       3.655  -1.696  -1.242  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.026  -2.532  -2.376  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.108  -1.642  -1.416  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.856   0.722   1.334  1.00  0.00           H  
HETATM   36  H   UNL     1       0.488   2.487   1.469  1.00  0.00           H  
HETATM   37  H   UNL     1       1.706   0.218  -1.931  1.00  0.00           H  
HETATM   38  H   UNL     1       1.194   4.558   0.338  1.00  0.00           H  
HETATM   39  H   UNL     1       2.150   4.459  -1.928  1.00  0.00           H  
HETATM   40  H   UNL     1       2.403   2.290  -3.065  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   27   28                                       
CONECT    6    5    7   17                                            
CONECT    7    6    8    9    9                                       
CONECT    8    7   30   31   32                                       
CONECT    9    7    7   10                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   12   33                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13   16   35                                       
CONECT   16   10   10   15   17                                       
CONECT   17    6   16   18   29                                       
CONECT   18   17   19   23   23                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   21   38                                       
CONECT   21   20   22   22   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   18   18   22   37                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29   17                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   23                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
