COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.621   1.102  -2.348  1.00  0.00           C  
HETATM    2  C   UNL     1       5.686  -3.918   0.042  1.00  0.00           C  
HETATM    3  C   UNL     1       6.679   3.136   1.214  1.00  0.00           C  
HETATM    4  C   UNL     1       0.371  -0.743   1.541  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.566   3.155   1.788  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.865   1.081   0.637  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.250  -1.329   2.783  1.00  0.00           C  
HETATM    8  C   UNL     1       2.966   0.276  -0.665  1.00  0.00           C  
HETATM    9  C   UNL     1       5.838   1.796  -0.587  1.00  0.00           C  
HETATM   10  C   UNL     1       4.391  -2.135   0.984  1.00  0.00           C  
HETATM   11  N   UNL     1       4.215   0.017  -0.163  1.00  0.00           N  
HETATM   12  C   UNL     1       5.405   0.372  -0.940  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.332  -0.211   0.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.488   1.007   0.770  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.805  -0.124   0.313  1.00  0.00           C  
HETATM   16  C   UNL     1       0.613   0.221  -0.478  1.00  0.00           C  
HETATM   17  C   UNL     1       4.359  -0.615   1.151  1.00  0.00           C  
HETATM   18  O   UNL     1       6.252   1.844   0.780  1.00  0.00           O  
HETATM   19  O   UNL     1       5.560  -2.511   0.253  1.00  0.00           O  
HETATM   20  N   UNL     1       2.828   0.845  -1.849  1.00  0.00           N  
HETATM   21  N   UNL     1       0.529   0.800  -1.684  1.00  0.00           N  
HETATM   22  N   UNL     1       1.656  -0.648   1.304  1.00  0.00           N  
HETATM   23  N   UNL     1       1.850  -0.052   0.055  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.803   2.031   1.344  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.564   0.040   0.052  1.00  0.00           C  
HETATM   26 BR   UNL     1      -6.444   0.149  -0.119  1.00  0.00          Br  
HETATM   27  C   UNL     1      -3.894  -1.080  -0.407  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.518  -1.171  -0.276  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.863  -2.275  -0.724  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.657  -3.306  -1.315  1.00  0.00           C  
HETATM   31  C   UNL     1       1.506   1.758  -3.700  1.00  0.00           C  
HETATM   32  H   UNL     1       5.731  -4.428   1.004  1.00  0.00           H  
HETATM   33  H   UNL     1       4.825  -4.280  -0.521  1.00  0.00           H  
HETATM   34  H   UNL     1       6.598  -4.121  -0.520  1.00  0.00           H  
HETATM   35  H   UNL     1       7.526   3.461   0.610  1.00  0.00           H  
HETATM   36  H   UNL     1       5.859   3.846   1.101  1.00  0.00           H  
HETATM   37  H   UNL     1       6.976   3.088   2.261  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.093   3.593   0.940  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.289   2.830   2.536  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.899   3.897   2.225  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.394   1.952   0.994  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.414  -2.397   2.638  1.00  0.00           H  
HETATM   43  H   UNL     1       0.417  -1.176   3.631  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.204  -0.839   2.978  1.00  0.00           H  
HETATM   45  H   UNL     1       6.668   2.093  -1.229  1.00  0.00           H  
HETATM   46  H   UNL     1       5.002   2.479  -0.738  1.00  0.00           H  
HETATM   47  H   UNL     1       4.409  -2.608   1.966  1.00  0.00           H  
HETATM   48  H   UNL     1       3.503  -2.460   0.442  1.00  0.00           H  
HETATM   49  H   UNL     1       5.174   0.316  -2.004  1.00  0.00           H  
HETATM   50  H   UNL     1       6.212  -0.322  -0.706  1.00  0.00           H  
HETATM   51  H   UNL     1       3.517  -0.336   1.783  1.00  0.00           H  
HETATM   52  H   UNL     1       5.288  -0.281   1.614  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.447  -1.889  -0.862  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.011  -4.126  -1.629  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.380  -3.671  -0.586  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.184  -2.906  -2.181  1.00  0.00           H  
HETATM   57  H   UNL     1       0.454   1.897  -3.948  1.00  0.00           H  
HETATM   58  H   UNL     1       2.004   2.727  -3.677  1.00  0.00           H  
HETATM   59  H   UNL     1       1.976   1.125  -4.452  1.00  0.00           H  
CONECT    1   20   31   21   21                                       
CONECT    2   19   32   33   34                                       
CONECT    3   18   35   36   37                                       
CONECT    4   22   22   13    7                                       
CONECT    5   24   38   39   40                                       
CONECT    6   14   25   25   41                                       
CONECT    7    4   42   43   44                                       
CONECT    8   11   20   20   23                                       
CONECT    9   18   12   45   46                                       
CONECT   10   19   17   47   48                                       
CONECT   11   12   17    8                                            
CONECT   12    9   11   49   50                                       
CONECT   13   16   16    4   15                                       
CONECT   14   24   15   15    6                                       
CONECT   15   13   14   14   28                                       
CONECT   16   23   21   13   13                                       
CONECT   17   10   11   51   52                                       
CONECT   18    9    3                                                 
CONECT   19    2   10                                                 
CONECT   20    8    8    1                                            
CONECT   21    1    1   16                                            
CONECT   22   23    4    4                                            
CONECT   23    8   22   16                                            
CONECT   24    5   14                                                 
CONECT   25    6    6   27   26                                       
CONECT   26   25                                                      
CONECT   27   28   28   25   53                                       
CONECT   28   15   29   27   27                                       
CONECT   29   28   30                                                 
CONECT   30   29   54   55   56                                       
CONECT   31    1   57   58   59                                       
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
