COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.347  28.477   6.118  1.00  0.00           C  
HETATM    2  C   UNL     1       5.058  27.195   5.703  1.00  0.00           C  
HETATM    3  N   UNL     1       5.915  26.526   4.940  1.00  0.00           N  
HETATM    4  C   UNL     1       5.590  25.265   4.550  1.00  0.00           C  
HETATM    5  C   UNL     1       6.470  24.527   3.720  1.00  0.00           C  
HETATM    6  C   UNL     1       7.681  25.062   3.270  1.00  0.00           C  
HETATM    7  C   UNL     1       8.478  24.284   2.444  1.00  0.00           C  
HETATM    8  C   UNL     1       8.098  23.020   2.069  1.00  0.00           C  
HETATM    9  C   UNL     1       6.128  23.214   3.332  1.00  0.00           C  
HETATM   10  N   UNL     1       6.904  22.491   2.445  1.00  0.00           N  
HETATM   11  C   UNL     1       4.453  29.132   6.933  1.00  0.00           C  
HETATM   12  C   UNL     1       3.234  28.593   7.332  1.00  0.00           C  
HETATM   13  C   UNL     1       2.905  27.327   6.947  1.00  0.00           C  
HETATM   14  C   UNL     1       3.803  26.630   6.135  1.00  0.00           C  
HETATM   15  N   UNL     1       3.491  25.381   5.718  1.00  0.00           N  
HETATM   16  C   UNL     1       4.343  24.691   4.959  1.00  0.00           C  
HETATM   17  C   UNL     1       4.006  23.330   4.554  1.00  0.00           C  
HETATM   18  C   UNL     1       4.908  22.634   3.749  1.00  0.00           C  
HETATM   19  C   UNL     1       2.841  22.688   4.938  1.00  0.00           C  
HETATM   20  C   UNL     1       2.606  21.377   4.523  1.00  0.00           C  
HETATM   21  C   UNL     1       3.554  20.743   3.757  1.00  0.00           C  
HETATM   22  N   UNL     1       4.735  21.307   3.390  1.00  0.00           N  
HETATM   23 RU   UNL     1       6.202  20.590   2.170  1.00  0.00          Ru  
HETATM   24  N   UNL     1       5.520  18.650   2.117  1.00  0.00           N  
HETATM   25  C   UNL     1       6.120  17.864   3.092  1.00  0.00           C  
HETATM   26  C   UNL     1       4.632  18.026   1.383  1.00  0.00           C  
HETATM   27  N   UNL     1       5.227  21.138   0.514  1.00  0.00           N  
HETATM   28  C   UNL     1       3.988  21.508   0.190  1.00  0.00           C  
HETATM   29  C   UNL     1       3.558  21.838  -1.110  1.00  0.00           C  
HETATM   30  N   UNL     1       4.316  21.677  -2.168  1.00  0.00           N  
HETATM   31  C   UNL     1       5.976  20.904  -0.626  1.00  0.00           C  
HETATM   32  C   UNL     1       5.567  21.238  -1.969  1.00  0.00           C  
HETATM   33  C   UNL     1       6.462  21.023  -3.036  1.00  0.00           C  
HETATM   34  C   UNL     1       7.707  20.498  -2.856  1.00  0.00           C  
HETATM   35  C   UNL     1       8.105  20.149  -1.554  1.00  0.00           C  
HETATM   36  N   UNL     1       9.362  19.622  -1.357  1.00  0.00           N  
HETATM   37  C   UNL     1       9.738  19.358  -0.106  1.00  0.00           C  
HETATM   38  C   UNL     1       8.873  19.626   0.983  1.00  0.00           C  
HETATM   39  C   UNL     1       7.266  20.403  -0.428  1.00  0.00           C  
HETATM   40  N   UNL     1       7.646  20.062   0.856  1.00  0.00           N  
HETATM   41  N   UNL     1       7.235  19.884   3.759  1.00  0.00           N  
HETATM   42  C   UNL     1       7.049  18.523   3.939  1.00  0.00           C  
HETATM   43  C   UNL     1       8.135  20.433   4.556  1.00  0.00           C  
HETATM   44  C   UNL     1       8.786  19.733   5.579  1.00  0.00           C  
HETATM   45  N   UNL     1       8.616  18.427   5.797  1.00  0.00           N  
HETATM   46  C   UNL     1       7.736  17.815   4.975  1.00  0.00           C  
HETATM   47  C   UNL     1       7.482  16.423   5.085  1.00  0.00           C  
HETATM   48  C   UNL     1       6.585  15.809   4.240  1.00  0.00           C  
HETATM   49  C   UNL     1       5.864  16.517   3.254  1.00  0.00           C  
HETATM   50  N   UNL     1       4.966  15.892   2.437  1.00  0.00           N  
HETATM   51  C   UNL     1       4.381  16.653   1.537  1.00  0.00           C  
HETATM   52  C   UNL     1       2.243  29.320   8.265  1.00  0.00           C  
HETATM   53  H   UNL     1       6.262  28.960   5.808  1.00  0.00           H  
HETATM   54  H   UNL     1       7.988  26.056   3.559  1.00  0.00           H  
HETATM   55  H   UNL     1       9.417  24.681   2.088  1.00  0.00           H  
HETATM   56  H   UNL     1       8.766  22.430   1.459  1.00  0.00           H  
HETATM   57  H   UNL     1       4.712  30.120   7.283  1.00  0.00           H  
HETATM   58  H   UNL     1       1.976  26.875   7.261  1.00  0.00           H  
HETATM   59  H   UNL     1       2.118  23.200   5.556  1.00  0.00           H  
HETATM   60  H   UNL     1       1.694  20.869   4.799  1.00  0.00           H  
HETATM   61  H   UNL     1       3.348  19.736   3.426  1.00  0.00           H  
HETATM   62  H   UNL     1       4.079  18.582   0.640  1.00  0.00           H  
HETATM   63  H   UNL     1       3.258  21.559   0.985  1.00  0.00           H  
HETATM   64  H   UNL     1       2.564  22.240  -1.241  1.00  0.00           H  
HETATM   65  H   UNL     1       6.149  21.285  -4.036  1.00  0.00           H  
HETATM   66  H   UNL     1       8.372  20.354  -3.694  1.00  0.00           H  
HETATM   67  H   UNL     1      10.714  18.935   0.080  1.00  0.00           H  
HETATM   68  H   UNL     1       9.250  19.460   1.981  1.00  0.00           H  
HETATM   69  H   UNL     1       8.381  21.475   4.411  1.00  0.00           H  
HETATM   70  H   UNL     1       9.460  20.277   6.224  1.00  0.00           H  
HETATM   71  H   UNL     1       7.996  15.842   5.836  1.00  0.00           H  
HETATM   72  H   UNL     1       6.427  14.745   4.335  1.00  0.00           H  
HETATM   73  H   UNL     1       3.663  16.193   0.875  1.00  0.00           H  
HETATM   74  H   UNL     1       1.525  29.895   7.662  1.00  0.00           H  
HETATM   75  H   UNL     1       1.701  28.580   8.872  1.00  0.00           H  
HETATM   76  H   UNL     1       2.796  30.003   8.927  1.00  0.00           H  
CONECT    1    2   11   11   53                                       
CONECT    2    3    3    1   14                                       
CONECT    3    4    2    2                                            
CONECT    4    5    3   16   16                                       
CONECT    5    6    9    9    4                                       
CONECT    6    7    7    5   54                                       
CONECT    7    8    6    6   55                                       
CONECT    8    7   10   10   56                                       
CONECT    9   10    5    5   18                                       
CONECT   10    8    8   23    9                                       
CONECT   11    1    1   12   57                                       
CONECT   12   11   13   13   52                                       
CONECT   13   14   12   12   58                                       
CONECT   14    2   15   15   13                                       
CONECT   15   16   14   14                                            
CONECT   16    4    4   17   15                                       
CONECT   17   18   18   19   16                                       
CONECT   18    9   22   17   17                                       
CONECT   19   20   20   17   59                                       
CONECT   20   21   19   19   60                                       
CONECT   21   22   22   20   61                                       
CONECT   22   23   18   21   21                                       
CONECT   23   27   40   24   10                                       
CONECT   23   22   41                                                 
CONECT   24   26   26   23   25                                       
CONECT   25   24   49   49   42                                       
CONECT   26   51   24   24   62                                       
CONECT   27   31   28   28   23                                       
CONECT   28   29   27   27   63                                       
CONECT   29   30   30   28   64                                       
CONECT   30   32   29   29                                            
CONECT   31   32   32   39   27                                       
CONECT   32   33   30   31   31                                       
CONECT   33   34   34   32   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   34   36   39   39                                       
CONECT   36   35   37   37                                            
CONECT   37   36   36   38   67                                       
CONECT   38   37   40   40   68                                       
CONECT   39   35   35   31   40                                       
CONECT   40   39   38   38   23                                       
CONECT   41   23   42   43   43                                       
CONECT   42   25   41   46   46                                       
CONECT   43   41   41   44   69                                       
CONECT   44   43   45   45   70                                       
CONECT   45   46   44   44                                            
CONECT   46   42   42   47   45                                       
CONECT   47   48   48   46   71                                       
CONECT   48   49   47   47   72                                       
CONECT   49   50   25   25   48                                       
CONECT   50   51   51   49                                            
CONECT   51   26   50   50   73                                       
CONECT   52   12   74   75   76                                       
CONECT   53    1                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   43                                                      
CONECT   70   44                                                      
CONECT   71   47                                                      
CONECT   72   48                                                      
CONECT   73   51                                                      
CONECT   74   52                                                      
CONECT   75   52                                                      
CONECT   76   52                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
