COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.794   4.530  -0.950  1.00  0.00           C  
HETATM    2  O   UNL     1       5.366   4.558  -0.986  1.00  0.00           O  
HETATM    3  C   UNL     1       4.744   3.682  -0.044  1.00  0.00           C  
HETATM    4  C   UNL     1       3.223   3.794  -0.171  1.00  0.00           C  
HETATM    5  C   UNL     1       2.557   2.856   0.838  1.00  0.00           C  
HETATM    6  C   UNL     1       1.059   2.966   0.713  1.00  0.00           C  
HETATM    7  C   UNL     1       0.178   1.905   0.488  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.084   2.414   0.440  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.257   1.691   0.229  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.201   0.317   0.050  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.035  -0.320   0.077  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.979  -1.633  -0.095  1.00  0.00           C  
HETATM   13  N   UNL     1       0.252  -2.266  -0.060  1.00  0.00           N  
HETATM   14  C   UNL     1       0.335  -3.716  -0.248  1.00  0.00           C  
HETATM   15  C   UNL     1       1.775  -4.152  -0.166  1.00  0.00           C  
HETATM   16  C   UNL     1       2.446  -4.530   0.948  1.00  0.00           C  
HETATM   17  C   UNL     1       3.744  -4.834   0.478  1.00  0.00           C  
HETATM   18  C   UNL     1       4.913  -5.312   1.300  1.00  0.00           C  
HETATM   19  N   UNL     1       3.730  -4.621  -0.806  1.00  0.00           N  
HETATM   20  O   UNL     1       2.643  -4.247  -1.183  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.071  -2.355  -0.297  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.267  -1.785  -0.336  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.371  -0.419  -0.157  1.00  0.00           C  
HETATM   24 BR   UNL     1      -5.056   0.437  -0.204  1.00  0.00          Br  
HETATM   25  N   UNL     1      -0.991   3.755   0.630  1.00  0.00           N  
HETATM   26  N   UNL     1       0.363   4.070   0.803  1.00  0.00           N  
HETATM   27  H   UNL     1       7.143   3.522  -1.169  1.00  0.00           H  
HETATM   28  H   UNL     1       7.189   5.222  -1.694  1.00  0.00           H  
HETATM   29  H   UNL     1       7.138   4.827   0.041  1.00  0.00           H  
HETATM   30  H   UNL     1       5.050   2.656  -0.244  1.00  0.00           H  
HETATM   31  H   UNL     1       5.045   3.961   0.966  1.00  0.00           H  
HETATM   32  H   UNL     1       2.916   4.820   0.030  1.00  0.00           H  
HETATM   33  H   UNL     1       2.921   3.515  -1.180  1.00  0.00           H  
HETATM   34  H   UNL     1       2.864   1.830   0.638  1.00  0.00           H  
HETATM   35  H   UNL     1       2.859   3.135   1.848  1.00  0.00           H  
HETATM   36  H   UNL     1       0.450   0.866   0.373  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.111   2.149   0.208  1.00  0.00           H  
HETATM   38  H   UNL     1       1.059  -1.749   0.088  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.241  -4.217   0.531  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.070  -3.980  -1.224  1.00  0.00           H  
HETATM   41  H   UNL     1       2.076  -4.586   1.961  1.00  0.00           H  
HETATM   42  H   UNL     1       4.909  -6.401   1.339  1.00  0.00           H  
HETATM   43  H   UNL     1       5.842  -4.968   0.845  1.00  0.00           H  
HETATM   44  H   UNL     1       4.834  -4.912   2.311  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.152  -2.383  -0.498  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.730   4.383   0.646  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1                                                 
CONECT    3    4    2   30   31                                       
CONECT    4    5    3   32   33                                       
CONECT    5    6    4   34   35                                       
CONECT    6    7   26   26    5                                       
CONECT    7    8    8    6   36                                       
CONECT    8    9   25    7    7                                       
CONECT    9   10    8   37                                            
CONECT   10   23    9   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   21   21   11   13                                       
CONECT   13   12   14   38                                            
CONECT   14   13   15   39   40                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   42   43   44                                       
CONECT   19   20   17   17                                            
CONECT   20   15   19                                                 
CONECT   21   22   12   12                                            
CONECT   22   23   23   21   45                                       
CONECT   23   24   22   22   10                                       
CONECT   24   23                                                      
CONECT   25    8   26   46                                            
CONECT   26   25    6    6                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
