COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.606  22.814  -0.254  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.766  22.533   0.840  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.230  22.581  -1.499  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.988  22.026  -1.669  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.171  21.774  -0.578  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.874  21.264  -0.731  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.571  22.074   0.736  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.468  21.672  -2.984  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.280  21.169  -3.126  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.388  20.932  -2.054  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.101  20.467  -2.167  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.389  20.365  -1.068  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.880  20.639   0.194  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.121  21.073   0.411  1.00  0.00           N  
HETATM   15 RU   UNL     1      -6.144  21.601   2.102  1.00  0.00          Ru  
HETATM   16  N   UNL     1      -4.658  20.921   3.332  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.538  21.534   3.719  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.565  20.938   4.519  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.744  19.614   4.920  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.480  23.537   2.045  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.574  24.148   1.322  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.294  25.550   1.481  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.908  26.289   2.367  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.117  24.320   3.019  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.821  25.699   3.163  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.537  26.403   4.124  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.444  25.812   4.944  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.717  24.391   4.822  1.00  0.00           C  
HETATM   29  N   UNL     1      -8.625  23.801   5.671  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.786  22.485   5.467  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.109  21.769   4.484  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.022  23.686   3.865  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.222  22.322   3.682  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.808  19.684   2.420  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.007  18.963   3.266  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.839  19.594   3.718  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.907  18.942   4.544  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.966  19.128   2.015  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.343  17.843   2.392  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.516  17.106   3.209  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.327  17.651   3.667  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.385  16.953   4.507  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.166  17.586   4.928  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.307  16.935   5.714  1.00  0.00           N  
HETATM   45  N   UNL     1      -5.686  15.702   4.876  1.00  0.00           N  
HETATM   46  C   UNL     1      -4.766  15.045   5.706  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.591  15.677   6.108  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.043  13.737   6.092  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.146  13.116   6.915  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.944  13.706   7.354  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.668  15.012   6.965  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.995  12.976   8.233  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.307  13.114   5.623  1.00  0.00           C  
HETATM   54  H   UNL     1     -10.585  23.232  -0.071  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.152  22.715   1.832  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.083  21.831  -3.857  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.952  20.916  -4.124  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.360  20.049  -1.156  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.228  20.495   1.043  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.376  22.551   3.393  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.689  21.491   4.823  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.992  19.116   5.514  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.022  23.583   0.586  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.550  26.008   0.846  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.365  27.465   4.223  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.963  26.399   5.687  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.479  21.952   6.100  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.320  20.715   4.374  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.624  19.699   1.376  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.278  17.427   2.046  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.794  16.102   3.493  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.372  12.114   7.249  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.773  15.511   7.305  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.266  12.432   7.615  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.466  13.694   8.878  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.550  12.261   8.858  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.129  12.595   4.670  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.660  12.392   6.374  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.069  13.894   5.478  1.00  0.00           H  
CONECT    1    3    3    2   54                                       
CONECT    2    1    7    7   55                                       
CONECT    3    4    1    1                                            
CONECT    4    8    3    5    5                                       
CONECT    5    4    4    6    7                                       
CONECT    6   10   10    5   14                                       
CONECT    7    5    2    2   15                                       
CONECT    8    9    9    4   56                                       
CONECT    9    8    8   10   57                                       
CONECT   10    9   11    6    6                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   58                                       
CONECT   13   12   14   14   59                                       
CONECT   14    6   13   13   15                                       
CONECT   15   14    7   20   34                                       
CONECT   15   16   33                                                 
CONECT   16   15   36   17   17                                       
CONECT   17   16   16   18   60                                       
CONECT   18   17   19   19   61                                       
CONECT   19   18   18   37   62                                       
CONECT   20   21   21   15   24                                       
CONECT   21   22   20   20   63                                       
CONECT   22   21   23   23   64                                       
CONECT   23   22   22   25                                            
CONECT   24   20   25   25   32                                       
CONECT   25   23   24   24   26                                       
CONECT   26   25   27   27   65                                       
CONECT   27   26   26   28   66                                       
CONECT   28   32   32   27   29                                       
CONECT   29   28   30   30                                            
CONECT   30   31   29   29   67                                       
CONECT   31   33   33   30   68                                       
CONECT   32   24   33   28   28                                       
CONECT   33   15   32   31   31                                       
CONECT   34   38   38   15   35                                       
CONECT   35   34   41   41   36                                       
CONECT   36   35   16   37   37                                       
CONECT   37   36   36   19   43                                       
CONECT   38   39   34   34   69                                       
CONECT   39   38   40   40   70                                       
CONECT   40   39   39   41   71                                       
CONECT   41   40   35   35   42                                       
CONECT   42   41   45   43   43                                       
CONECT   43   42   42   37   44                                       
CONECT   44   43   47   47                                            
CONECT   45   42   46   46                                            
CONECT   46   45   45   48   47                                       
CONECT   47   46   44   44   51                                       
CONECT   48   53   46   49   49                                       
CONECT   49   48   48   50   72                                       
CONECT   50   49   51   51   52                                       
CONECT   51   47   50   50   73                                       
CONECT   52   50   74   75   76                                       
CONECT   53   48   77   78   79                                       
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   49                                                      
CONECT   73   51                                                      
CONECT   74   52                                                      
CONECT   75   52                                                      
CONECT   76   52                                                      
CONECT   77   53                                                      
CONECT   78   53                                                      
CONECT   79   53                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
