COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.344   3.186   0.413  1.00  0.00           C  
HETATM    2  C   UNL     1       0.826   4.048   1.316  1.00  0.00           C  
HETATM    3  C   UNL     1       2.989   4.591   0.736  1.00  0.00           C  
HETATM    4  C   UNL     1       1.114   2.598   1.006  1.00  0.00           C  
HETATM    5  C   UNL     1       0.131   2.151  -0.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.156   1.806   0.316  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.061   1.394  -0.653  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.669   1.332  -1.984  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.380   1.679  -2.339  1.00  0.00           C  
HETATM   10  C   UNL     1       4.844  -0.740   0.458  1.00  0.00           C  
HETATM   11  C   UNL     1       4.485   0.565   0.633  1.00  0.00           C  
HETATM   12  C   UNL     1       0.518   2.093  -1.372  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.008   0.061  -0.952  1.00  0.00           C  
HETATM   14  C   UNL     1       4.993   1.555  -0.207  1.00  0.00           C  
HETATM   15  C   UNL     1       5.868   1.222  -1.231  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.099   0.518   0.318  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.420   0.247   0.595  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.423  -0.227  -0.652  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.080  -0.772  -0.085  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.408  -1.520  -1.048  1.00  0.00           C  
HETATM   21  C   UNL     1       6.750  -2.607   1.614  1.00  0.00           C  
HETATM   22  C   UNL     1       8.185  -2.806   2.114  1.00  0.00           C  
HETATM   23  C   UNL     1       8.534  -4.683   0.660  1.00  0.00           C  
HETATM   24  C   UNL     1       7.116  -4.580   0.084  1.00  0.00           C  
HETATM   25  C   UNL     1       6.116  -2.501  -0.755  1.00  0.00           C  
HETATM   26  C   UNL     1       5.729  -1.094  -0.566  1.00  0.00           C  
HETATM   27  C   UNL     1       6.240  -0.101  -1.419  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.091  -1.246  -1.338  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.603  -1.322   1.627  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.096  -1.473   1.926  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.667  -2.618   1.085  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.415  -2.326  -0.397  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.912  -2.151  -0.629  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.577   1.875   1.762  1.00  0.00           C  
HETATM   35  N   UNL     1       6.639  -3.200   0.272  1.00  0.00           N  
HETATM   36  N   UNL     1       4.619   2.883  -0.018  1.00  0.00           N  
HETATM   37  N   UNL     1       2.461   2.240   0.539  1.00  0.00           N  
HETATM   38  N   UNL     1       1.763   4.931   1.164  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.365   1.043  -0.290  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.414  -1.044   0.198  1.00  0.00           N  
HETATM   41  N   UNL     1       7.111  -0.443  -2.446  1.00  0.00           N  
HETATM   42  O   UNL     1       8.535  -4.187   2.001  1.00  0.00           O  
HETATM   43  O   UNL     1       3.831   5.457   0.610  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.421  -0.588  -1.797  1.00  0.00           O  
HETATM   45  O   UNL     1       5.963  -3.034  -1.838  1.00  0.00           O  
HETATM   46  H   UNL     1      -0.153   4.347   1.661  1.00  0.00           H  
HETATM   47  H   UNL     1       0.913   2.020   1.908  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.370   1.012  -2.740  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.074   1.630  -3.374  1.00  0.00           H  
HETATM   50  H   UNL     1       4.446  -1.501   1.114  1.00  0.00           H  
HETATM   51  H   UNL     1       3.804   0.832   1.428  1.00  0.00           H  
HETATM   52  H   UNL     1       1.525   2.363  -1.652  1.00  0.00           H  
HETATM   53  H   UNL     1       6.259   1.991  -1.880  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.588   1.309   0.846  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.944   0.825   1.341  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.923  -2.310  -1.574  1.00  0.00           H  
HETATM   57  H   UNL     1       6.053  -3.099   2.292  1.00  0.00           H  
HETATM   58  H   UNL     1       6.523  -1.542   1.564  1.00  0.00           H  
HETATM   59  H   UNL     1       8.867  -2.207   1.512  1.00  0.00           H  
HETATM   60  H   UNL     1       8.253  -2.497   3.157  1.00  0.00           H  
HETATM   61  H   UNL     1       8.854  -5.726   0.657  1.00  0.00           H  
HETATM   62  H   UNL     1       9.218  -4.091   0.052  1.00  0.00           H  
HETATM   63  H   UNL     1       7.133  -4.821  -0.979  1.00  0.00           H  
HETATM   64  H   UNL     1       6.456  -5.271   0.608  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.571  -1.824  -2.088  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.196  -0.499   2.214  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.085  -2.245   1.889  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.235  -1.695   2.985  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.612  -0.546   1.678  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.178  -3.552   1.361  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.739  -2.701   1.263  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.781  -3.158  -0.999  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.937  -1.413  -0.682  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.393  -3.070  -0.356  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.731  -1.929  -1.680  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.978   2.866   1.976  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.344   1.124   1.953  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.715   1.685   2.401  1.00  0.00           H  
HETATM   79  H   UNL     1       5.256   3.595  -0.190  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.808   1.507   0.438  1.00  0.00           H  
HETATM   81  H   UNL     1       7.312  -1.375  -2.621  1.00  0.00           H  
HETATM   82  H   UNL     1       7.518   0.251  -2.987  1.00  0.00           H  
CONECT    1   36   37   37    3                                       
CONECT    2    4   38   38   46                                       
CONECT    3    1   43   43   38                                       
CONECT    4   37    5    2   47                                       
CONECT    5   12    4    6    6                                       
CONECT    6    5    5    7   34                                       
CONECT    7    8    8    6   39                                       
CONECT    8    9    7    7   48                                       
CONECT    9   12   12    8   49                                       
CONECT   10   26   11   11   50                                       
CONECT   11   10   10   14   51                                       
CONECT   12    9    9    5   52                                       
CONECT   13   39   44   44   18                                       
CONECT   14   15   15   11   36                                       
CONECT   15   27   14   14   53                                       
CONECT   16   18   17   17   54                                       
CONECT   17   16   16   19   55                                       
CONECT   18   13   28   28   16                                       
CONECT   19   20   20   17   40                                       
CONECT   20   28   19   19   56                                       
CONECT   21   22   35   57   58                                       
CONECT   22   42   21   59   60                                       
CONECT   23   42   24   61   62                                       
CONECT   24   23   35   63   64                                       
CONECT   25   45   45   35   26                                       
CONECT   26   25   27   27   10                                       
CONECT   27   41   26   26   15                                       
CONECT   28   18   18   20   65                                       
CONECT   29   40   30   66   67                                       
CONECT   30   29   31   68   69                                       
CONECT   31   32   30   70   71                                       
CONECT   32   33   31   72   73                                       
CONECT   33   40   32   74   75                                       
CONECT   34    6   76   77   78                                       
CONECT   35   24   25   21                                            
CONECT   36   14    1   79                                            
CONECT   37    1    1    4                                            
CONECT   38    3    2    2                                            
CONECT   39    7   13   80                                            
CONECT   40   19   33   29                                            
CONECT   41   27   81   82                                            
CONECT   42   23   22                                                 
CONECT   43    3    3                                                 
CONECT   44   13   13                                                 
CONECT   45   25   25                                                 
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
