COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -20.354  12.176  -0.101  1.00  0.00           O  
HETATM    2 CL   UNL     1     -13.059   9.851  -1.600  1.00  0.00          Cl  
HETATM    3 RU   UNL     1     -13.356  10.671   0.431  1.00  0.00          Ru  
HETATM    4  C   UNL     1     -16.022  10.967   0.348  1.00  0.00           C  
HETATM    5  N   UNL     1     -14.900  11.721   0.021  1.00  0.00           N  
HETATM    6  O   UNL     1     -20.058   7.966   1.633  1.00  0.00           O  
HETATM    7  C   UNL     1     -15.408  12.974  -0.495  1.00  0.00           C  
HETATM    8  O   UNL     1     -10.150   8.350   1.296  1.00  0.00           O  
HETATM    9  C   UNL     1     -14.725  14.157  -1.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.348   9.810  -0.118  1.00  0.00           O  
HETATM   11  C   UNL     1     -15.536  15.267  -1.451  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.978  15.210  -1.404  1.00  0.00           C  
HETATM   13  C   UNL     1     -17.664  14.029  -0.901  1.00  0.00           C  
HETATM   14  C   UNL     1     -16.871  12.907  -0.446  1.00  0.00           C  
HETATM   15  C   UNL     1     -17.259  11.631   0.088  1.00  0.00           C  
HETATM   16  C   UNL     1     -18.462  10.812   0.441  1.00  0.00           C  
HETATM   17  C   UNL     1     -19.844  11.086   0.343  1.00  0.00           C  
HETATM   18  N   UNL     1     -20.597  10.045   0.781  1.00  0.00           N  
HETATM   19  C   UNL     1     -19.697   9.104   1.160  1.00  0.00           C  
HETATM   20  C   UNL     1     -18.354   9.482   0.988  1.00  0.00           C  
HETATM   21  C   UNL     1     -17.041   8.848   1.236  1.00  0.00           C  
HETATM   22  C   UNL     1     -16.752   7.530   1.776  1.00  0.00           C  
HETATM   23  C   UNL     1     -15.376   7.094   1.937  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.266   7.945   1.571  1.00  0.00           C  
HETATM   25  N   UNL     1     -14.526   9.251   1.042  1.00  0.00           N1+
HETATM   26  C   UNL     1     -15.859   9.657   0.888  1.00  0.00           C  
HETATM   27  C   UNL     1     -15.094   5.731   2.494  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.377  10.393   1.235  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.492  11.688   0.658  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.513  12.552   1.042  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.461  12.147   2.016  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.360  10.892   2.607  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.329  10.006   2.217  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.268   9.470   0.809  1.00  0.00           C  
HETATM   35  H   UNL     1     -13.647  14.204  -1.037  1.00  0.00           H  
HETATM   36  H   UNL     1     -15.053  16.156  -1.830  1.00  0.00           H  
HETATM   37  H   UNL     1     -17.556  16.056  -1.747  1.00  0.00           H  
HETATM   38  H   UNL     1     -18.743  13.991  -0.868  1.00  0.00           H  
HETATM   39  H   UNL     1     -21.595   9.985   0.816  1.00  0.00           H  
HETATM   40  H   UNL     1     -17.562   6.874   2.058  1.00  0.00           H  
HETATM   41  H   UNL     1     -13.250   7.600   1.695  1.00  0.00           H  
HETATM   42  H   UNL     1     -15.012   5.792   3.589  1.00  0.00           H  
HETATM   43  H   UNL     1     -15.914   5.049   2.225  1.00  0.00           H  
HETATM   44  H   UNL     1     -14.150   5.352   2.076  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.778  12.005  -0.088  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.584  13.534   0.597  1.00  0.00           H  
HETATM   47  H   UNL     1     -14.262  12.814   2.299  1.00  0.00           H  
HETATM   48  H   UNL     1     -14.070  10.594   3.365  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.264   9.027   2.669  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.739   9.091  -0.240  1.00  0.00           H  
CONECT    1   17   17                                                 
CONECT    2    3                                                      
CONECT    3    2    5   29   25                                       
CONECT    3   30   28   31   33                                       
CONECT    3   32                                                      
CONECT    4    5   15   15   26                                       
CONECT    5    7    4    3                                            
CONECT    6   19   19                                                 
CONECT    7    9    9   14    5                                       
CONECT    8   34   34                                                 
CONECT    9   11    7    7   35                                       
CONECT   10   34   50                                                 
CONECT   11   12   12    9   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13    7   15                                       
CONECT   15   14    4    4   16                                       
CONECT   16   15   17   20   20                                       
CONECT   17    1    1   16   18                                       
CONECT   18   17   19   39                                            
CONECT   19   18   20    6    6                                       
CONECT   20   16   16   19   21                                       
CONECT   21   26   20   22   22                                       
CONECT   22   21   21   23   40                                       
CONECT   23   24   24   22   27                                       
CONECT   24   25   23   23   41                                       
CONECT   25    3   26   26   24                                       
CONECT   26    4   25   25   21                                       
CONECT   27   23   42   43   44                                       
CONECT   28    3   29   34   33                                       
CONECT   29    3   30   28   45                                       
CONECT   30    3   29   31   46                                       
CONECT   31    3   30   32   47                                       
CONECT   32    3   31   33   48                                       
CONECT   33    3   28   32   49                                       
CONECT   34   10   28    8    8                                       
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
CONECT   48   32                                                      
CONECT   49   33                                                      
CONECT   50   10                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
