COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.806   0.187  -1.664  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.474   3.325  -5.757  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.293   1.937  -5.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.813   0.286  -0.706  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.578   1.879  -3.602  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.139   0.079   0.635  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.451  -0.224   0.995  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.439  -0.320   0.015  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.114  -0.113  -1.325  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.643   4.150  -9.563  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.635   5.103  -9.645  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.326   4.702  -9.910  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.034   3.349 -10.090  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.051   2.399 -10.006  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.360   2.800  -9.741  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.052   4.582  -9.277  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.904   6.228  -1.905  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.152   3.288  -7.251  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.683   4.969  -4.285  1.00  0.00           O  
HETATM   20  N   UNL     1      -8.460   7.015  -5.356  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.453   0.412  -3.119  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.927   2.289  -3.380  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.726   6.952  -3.128  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.655   2.820  -2.807  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.100   3.763  -2.152  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.309   2.502  -2.902  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.288   3.257  -2.233  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.042   2.480  -1.915  1.00  0.00           C  
HETATM   29  C   UNL     1       0.093   3.281  -2.102  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.922   1.185  -1.433  1.00  0.00           C  
HETATM   31  C   UNL     1       0.356   0.691  -1.160  1.00  0.00           C  
HETATM   32  C   UNL     1       1.490   1.494  -1.353  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.715   4.410  -3.086  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.651   4.025  -4.462  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.628   6.194  -4.261  1.00  0.00           C  
HETATM   36  C   UNL     1       1.363   2.803  -1.821  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.284   4.654  -2.575  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.324   6.529  -6.709  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.884   7.524  -7.769  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.368   7.820  -7.463  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.120   8.862  -7.712  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.840   6.200  -6.876  1.00  0.00           C  
HETATM   43  N   UNL     1      -5.335   4.612  -7.843  1.00  0.00           N  
HETATM   44  O   UNL     1      -5.947   6.881  -6.373  1.00  0.00           O  
HETATM   45  N   UNL     1      -6.636   5.052  -7.626  1.00  0.00           N  
HETATM   46 BR   UNL     1       0.740   2.805 -10.449  1.00  0.00          Br  
HETATM   47  C   UNL     1      -8.786   6.967  -9.202  1.00  0.00           C  
HETATM   48  H   UNL     1      -4.820   4.052  -5.262  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.506   3.668  -5.618  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.980   1.248  -5.634  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.277   1.581  -5.331  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.115   2.970  -7.406  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.802   2.570  -7.762  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.115  -0.228  -3.719  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.438   0.035  -3.296  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.461   1.858  -4.064  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.788   0.522  -0.977  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.890  -0.190  -2.082  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.369   0.154   1.398  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.705  -0.385   2.039  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.462  -0.556   0.296  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.021   1.680  -3.422  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.707   3.645  -1.297  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.238   5.584  -9.678  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.774   3.905  -9.746  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.402   4.513  -8.021  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.333   5.312  -3.036  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.796   0.564  -1.265  1.00  0.00           H  
HETATM   69  H   UNL     1       0.473  -0.322  -0.786  1.00  0.00           H  
HETATM   70  H   UNL     1       2.476   1.095  -1.129  1.00  0.00           H  
HETATM   71  H   UNL     1       2.240   3.427  -1.958  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.278   5.344  -1.725  1.00  0.00           H  
HETATM   73  H   UNL     1       0.386   5.005  -3.365  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.307   3.120  -4.475  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.853   6.158  -9.507  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.147   2.053  -9.677  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.545   5.455  -9.973  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.840   1.341 -10.143  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.897   5.594  -6.743  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.987   6.921  -7.552  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.775   8.564  -8.158  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.490   8.215  -6.448  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.126   9.278  -6.698  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.078   8.748  -8.027  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.576   9.605  -8.376  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.216   7.670  -9.925  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.328   6.021  -9.306  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.746   6.795  -9.498  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.638   5.432  -2.056  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.247   6.910  -1.123  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.949   5.789  -1.610  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.431   8.019  -5.203  1.00  0.00           H  
CONECT    1   21    4    9    9                                       
CONECT    2    3   18   48   49                                       
CONECT    3    2    5   50   51                                       
CONECT    4    1    6    6   57                                       
CONECT    5    3   21   22   24                                       
CONECT    6    4    4    7   59                                       
CONECT    7    6    8    8   60                                       
CONECT    8    7    7    9   61                                       
CONECT    9    1    1    8   58                                       
CONECT   10   16   11   15   15                                       
CONECT   11   10   12   12   75                                       
CONECT   12   11   11   13   77                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   15   78                                       
CONECT   15   10   10   14   76                                       
CONECT   16   10   43   64   65                                       
CONECT   17   23   89   90   91                                       
CONECT   18    2   52   53   43                                       
CONECT   19   35   35                                                 
CONECT   20   35   38   92                                            
CONECT   21    1    5   54   55                                       
CONECT   22    5   56                                                 
CONECT   23   17   35                                                 
CONECT   24    5   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   62                                            
CONECT   27   26   28   33   63                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   36   37                                       
CONECT   30   28   31   31   68                                       
CONECT   31   30   30   32   69                                       
CONECT   32   31   36   36   70                                       
CONECT   33   27   37   34   67                                       
CONECT   34   33   74                                                 
CONECT   35   19   19   20   23                                       
CONECT   36   29   32   32   71                                       
CONECT   37   33   29   72   73                                       
CONECT   38   39   20   79   42                                       
CONECT   39   38   40   47   41                                       
CONECT   40   39   80   81   82                                       
CONECT   41   83   84   85   39                                       
CONECT   42   44   44   45   38                                       
CONECT   43   16   45   18                                            
CONECT   44   42   42                                                 
CONECT   45   43   42   66                                            
CONECT   46   13                                                      
CONECT   47   39   86   87   88                                       
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57    4                                                      
CONECT   58    9                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   45                                                      
CONECT   67   33                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   34                                                      
CONECT   75   11                                                      
CONECT   76   15                                                      
CONECT   77   12                                                      
CONECT   78   14                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   17                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   20                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
