COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.167   4.364   2.096  1.00  0.00           C  
HETATM    2  C   UNL     1       3.814   3.744   0.742  1.00  0.00           C  
HETATM    3  O   UNL     1       2.836   2.688   0.933  1.00  0.00           O  
HETATM    4  C   UNL     1       2.416   2.035  -0.170  1.00  0.00           C  
HETATM    5  O   UNL     1       2.855   2.342  -1.262  1.00  0.00           O  
HETATM    6  C   UNL     1       1.429   0.956  -0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       1.689  -0.371   0.134  1.00  0.00           C  
HETATM    8  C   UNL     1       3.063  -0.977   0.256  1.00  0.00           C  
HETATM    9  N   UNL     1       3.549  -1.360  -1.077  1.00  0.00           N  
HETATM   10  C   UNL     1       3.762  -0.175  -1.920  1.00  0.00           C  
HETATM   11  C   UNL     1       4.774  -2.164  -0.980  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.039   1.092  -0.106  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.903   2.172  -0.269  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.269   1.960  -0.275  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.117   3.010  -0.435  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.777   0.673  -0.119  1.00  0.00           C  
HETATM   17 BR   UNL     1      -4.648   0.397  -0.131  1.00  0.00          Br  
HETATM   18  C   UNL     1      -1.929  -0.401   0.043  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.552  -0.204   0.052  1.00  0.00           C  
HETATM   20  N   UNL     1       0.524  -1.062   0.194  1.00  0.00           N  
HETATM   21  C   UNL     1       0.424  -2.446   0.378  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.163  -2.955   1.530  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.261  -4.321   1.708  1.00  0.00           C  
HETATM   24  C   UNL     1       0.225  -5.182   0.742  1.00  0.00           C  
HETATM   25  C   UNL     1       0.811  -4.679  -0.406  1.00  0.00           C  
HETATM   26  C   UNL     1       0.906  -3.314  -0.593  1.00  0.00           C  
HETATM   27  H   UNL     1       4.900   5.157   1.952  1.00  0.00           H  
HETATM   28  H   UNL     1       3.268   4.779   2.551  1.00  0.00           H  
HETATM   29  H   UNL     1       4.584   3.597   2.748  1.00  0.00           H  
HETATM   30  H   UNL     1       3.397   4.511   0.089  1.00  0.00           H  
HETATM   31  H   UNL     1       4.713   3.329   0.286  1.00  0.00           H  
HETATM   32  H   UNL     1       3.744  -0.248   0.695  1.00  0.00           H  
HETATM   33  H   UNL     1       3.016  -1.860   0.893  1.00  0.00           H  
HETATM   34  H   UNL     1       4.501   0.475  -1.452  1.00  0.00           H  
HETATM   35  H   UNL     1       4.121  -0.487  -2.900  1.00  0.00           H  
HETATM   36  H   UNL     1       2.822   0.365  -2.032  1.00  0.00           H  
HETATM   37  H   UNL     1       4.570  -3.070  -0.409  1.00  0.00           H  
HETATM   38  H   UNL     1       5.112  -2.434  -1.980  1.00  0.00           H  
HETATM   39  H   UNL     1       5.550  -1.586  -0.478  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.508   3.170  -0.390  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.341   3.199  -1.356  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.334  -1.395   0.163  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.543  -2.282   2.285  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.717  -4.717   2.603  1.00  0.00           H  
HETATM   45  H   UNL     1       0.148  -6.250   0.884  1.00  0.00           H  
HETATM   46  H   UNL     1       1.190  -5.354  -1.158  1.00  0.00           H  
HETATM   47  H   UNL     1       1.359  -2.922  -1.491  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    4    2                                                 
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    4   12    7    7                                       
CONECT    7    6    6   20    8                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   11   10                                            
CONECT   10    9   34   35   36                                       
CONECT   11    9   37   38   39                                       
CONECT   12   13    6   19   19                                       
CONECT   13   14   14   12   40                                       
CONECT   14   15   13   13   16                                       
CONECT   15   14   41                                                 
CONECT   16   14   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   42                                       
CONECT   19   12   12   18   20                                       
CONECT   20   19    7   21                                            
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   24   44                                       
CONECT   24   25   25   23   45                                       
CONECT   25   26   24   24   46                                       
CONECT   26   21   21   25   47                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
