COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.568  -2.519  -1.814  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.803  -3.574  -1.344  1.00  0.00           C  
HETATM    3  C   UNL     1       0.214  -3.344  -0.433  1.00  0.00           C  
HETATM    4  C   UNL     1       0.475  -2.040   0.018  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.289  -0.978  -0.451  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.310  -1.212  -1.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.120  -0.089  -1.878  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.358   0.002  -3.067  1.00  0.00           O  
HETATM    9  O   UNL     1       0.959  -4.381   0.025  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.563  -2.750  -2.707  1.00  0.00           O  
HETATM   11  C   UNL     1       1.561  -1.798   0.990  1.00  0.00           C  
HETATM   12  N   UNL     1       2.504  -0.808   0.924  1.00  0.00           N  
HETATM   13  C   UNL     1       3.298  -0.972   2.034  1.00  0.00           C  
HETATM   14  N   UNL     1       2.822  -2.013   2.701  1.00  0.00           N  
HETATM   15  N   UNL     1       1.798  -2.491   2.086  1.00  0.00           N  
HETATM   16  C   UNL     1       2.753   0.197   0.037  1.00  0.00           C  
HETATM   17  C   UNL     1       3.784   1.046   0.236  1.00  0.00           C  
HETATM   18  C   UNL     1       4.614   0.904   1.362  1.00  0.00           C  
HETATM   19  C   UNL     1       4.376  -0.094   2.255  1.00  0.00           C  
HETATM   20 BR   UNL     1       4.113   2.434  -1.007  1.00  0.00          Br  
HETATM   21  N   UNL     1      -2.597   0.836  -1.022  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.422   0.697   0.428  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.715   1.027   1.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.776   1.617   0.480  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.751   1.952  -0.988  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.309   2.031  -1.505  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.816   0.719   2.480  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.970   1.006   3.179  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.033   1.608   2.530  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.935   1.911   1.189  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.001  -4.578  -1.688  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.090   0.026  -0.106  1.00  0.00           H  
HETATM   33  H   UNL     1       1.702  -4.615  -0.548  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.281  -2.704  -3.631  1.00  0.00           H  
HETATM   35  H   UNL     1       2.121   0.314  -0.831  1.00  0.00           H  
HETATM   36  H   UNL     1       5.438   1.585   1.517  1.00  0.00           H  
HETATM   37  H   UNL     1       5.007  -0.212   3.124  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.134  -0.329   0.661  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.641   1.378   0.766  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.291   1.183  -1.540  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.238   2.915  -1.144  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.829   2.932  -1.123  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.309   2.045  -2.595  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.986   0.249   2.986  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.043   0.762   4.228  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.937   1.839   3.073  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.765   2.382   0.684  1.00  0.00           H  
CONECT    1    2    2   10    6                                       
CONECT    2    3    1    1   31                                       
CONECT    3    9    2    4    4                                       
CONECT    4    3    3   11    5                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   21    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    3   33                                                 
CONECT   10    1   34                                                 
CONECT   11   15   15   12    4                                       
CONECT   12   13   11   16                                            
CONECT   13   14   14   19   12                                       
CONECT   14   15   13   13                                            
CONECT   15   14   11   11                                            
CONECT   16   12   17   17   35                                       
CONECT   17   18   16   16   20                                       
CONECT   18   19   19   17   36                                       
CONECT   19   13   18   18   37                                       
CONECT   20   17                                                      
CONECT   21   26    7   22                                            
CONECT   22   21   23   38   39                                       
CONECT   23   24   24   22   27                                       
CONECT   24   25   30   23   23                                       
CONECT   25   26   24   40   41                                       
CONECT   26   25   21   42   43                                       
CONECT   27   23   28   28   44                                       
CONECT   28   29   27   27   45                                       
CONECT   29   30   30   28   46                                       
CONECT   30   24   29   29   47                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
