COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      82.510   3.805   8.800  1.00  0.00           C  
HETATM    2  S   UNL     1      86.482   2.516   5.852  1.00  0.00           S  
HETATM    3  C   UNL     1      81.087   0.418   4.096  1.00  0.00           C  
HETATM    4  C   UNL     1      79.798   2.069   4.192  1.00  0.00           C  
HETATM    5  C   UNL     1      79.049   3.219   4.448  1.00  0.00           C  
HETATM    6  C   UNL     1      77.675   2.895   2.482  1.00  0.00           C  
HETATM    7  O   UNL     1      78.881  -0.815   0.235  1.00  0.00           O  
HETATM    8  O   UNL     1      82.091  -3.624   1.276  1.00  0.00           O  
HETATM    9  O   UNL     1      76.650   3.306   1.669  1.00  0.00           O  
HETATM   10  C   UNL     1      81.614  -0.814   8.682  1.00  0.00           C  
HETATM   11  C   UNL     1      83.494   2.768   9.378  1.00  0.00           C  
HETATM   12  C   UNL     1      84.719   2.578   5.703  1.00  0.00           C  
HETATM   13  S   UNL     1      80.384  -0.047   7.489  1.00  0.00           S  
HETATM   14  C   UNL     1      79.674   2.633   8.498  1.00  0.00           C  
HETATM   15  N   UNL     1      83.432   2.573   5.636  1.00  0.00           N  
HETATM   16  S   UNL     1      81.121   3.351   7.670  1.00  0.00           S  
HETATM   17  S   UNL     1      83.753   1.172   8.494  1.00  0.00           S  
HETATM   18  C   UNL     1      79.763   1.143   8.771  1.00  0.00           C  
HETATM   19  C   UNL     1      82.673   0.019   9.442  1.00  0.00           C  
HETATM   20  N   UNL     1      80.848   1.519   4.882  1.00  0.00           N  
HETATM   21  N   UNL     1      80.408  -2.350   0.536  1.00  0.00           N  
HETATM   22  N   UNL     1      82.876  -0.238   5.560  1.00  0.00           N  
HETATM   23  C   UNL     1      77.996   3.639   3.605  1.00  0.00           C  
HETATM   24  C   UNL     1      78.410   1.721   2.191  1.00  0.00           C  
HETATM   25  C   UNL     1      79.447   1.354   3.062  1.00  0.00           C  
HETATM   26  C   UNL     1      80.305   0.271   3.000  1.00  0.00           C  
HETATM   27  C   UNL     1      80.433  -0.797   2.104  1.00  0.00           C  
HETATM   28  C   UNL     1      79.802  -1.235   0.916  1.00  0.00           C  
HETATM   29  C   UNL     1      81.390  -2.649   1.406  1.00  0.00           C  
HETATM   30  C   UNL     1      81.462  -1.709   2.423  1.00  0.00           C  
HETATM   31  C   UNL     1      82.291  -1.554   3.570  1.00  0.00           C  
HETATM   32  C   UNL     1      83.297  -2.484   3.852  1.00  0.00           C  
HETATM   33  C   UNL     1      84.070  -2.246   5.018  1.00  0.00           C  
HETATM   34  C   UNL     1      83.835  -1.118   5.858  1.00  0.00           C  
HETATM   35  C   UNL     1      82.120  -0.487   4.426  1.00  0.00           C  
HETATM   36  F   UNL     1      85.044  -3.135   5.292  1.00  0.00           F  
HETATM   37 RU   UNL     1      82.161   1.423   6.475  1.00  0.00          Ru  
HETATM   38  H   UNL     1      83.125   4.532   8.248  1.00  0.00           H  
HETATM   39  H   UNL     1      82.047   4.299   9.667  1.00  0.00           H  
HETATM   40  H   UNL     1      86.854   3.484   5.068  1.00  0.00           H  
HETATM   41  H   UNL     1      79.283   3.809   5.322  1.00  0.00           H  
HETATM   42  H   UNL     1      76.273   4.106   2.015  1.00  0.00           H  
HETATM   43  H   UNL     1      81.015  -1.321   9.453  1.00  0.00           H  
HETATM   44  H   UNL     1      82.174  -1.562   8.102  1.00  0.00           H  
HETATM   45  H   UNL     1      83.140   2.520  10.389  1.00  0.00           H  
HETATM   46  H   UNL     1      84.476   3.260   9.444  1.00  0.00           H  
HETATM   47  H   UNL     1      84.792   2.493   4.609  1.00  0.00           H  
HETATM   48  H   UNL     1      84.716   3.640   5.989  1.00  0.00           H  
HETATM   49  H   UNL     1      79.541   3.149   9.461  1.00  0.00           H  
HETATM   50  H   UNL     1      78.794   2.811   7.862  1.00  0.00           H  
HETATM   51  H   UNL     1      78.746   0.815   9.031  1.00  0.00           H  
HETATM   52  H   UNL     1      80.421   1.027   9.645  1.00  0.00           H  
HETATM   53  H   UNL     1      83.335  -0.693   9.956  1.00  0.00           H  
HETATM   54  H   UNL     1      82.134   0.622  10.188  1.00  0.00           H  
HETATM   55  H   UNL     1      80.172  -2.887  -0.274  1.00  0.00           H  
HETATM   56  H   UNL     1      77.443   4.538   3.836  1.00  0.00           H  
HETATM   57  H   UNL     1      78.179   1.123   1.322  1.00  0.00           H  
HETATM   58  H   UNL     1      83.476  -3.338   3.216  1.00  0.00           H  
HETATM   59  H   UNL     1      84.438  -0.974   6.743  1.00  0.00           H  
CONECT    1   16   11   38   39                                       
CONECT    2   12   40                                                 
CONECT    3   26   26   35   20                                       
CONECT    4   25   25    5   20                                       
CONECT    5   23   23    4   41                                       
CONECT    6    9   24   24   23                                       
CONECT    7   28   28                                                 
CONECT    8   29   29                                                 
CONECT    9    6   42                                                 
CONECT   10   13   19   43   44                                       
CONECT   11   17    1   45   46                                       
CONECT   12   15    2   47   48                                       
CONECT   13   37   10   18                                            
CONECT   14   16   18   49   50                                       
CONECT   15   12   37                                                 
CONECT   16   37   14    1                                            
CONECT   17   37   11   19                                            
CONECT   18   13   14   51   52                                       
CONECT   19   17   10   53   54                                       
CONECT   20    3    4   37                                            
CONECT   21   28   29   55                                            
CONECT   22   35   35   34   37                                       
CONECT   23    6    5    5   56                                       
CONECT   24    6    6   25   57                                       
CONECT   25   24   26    4    4                                       
CONECT   26   27   25    3    3                                       
CONECT   27   28   30   30   26                                       
CONECT   28    7    7   21   27                                       
CONECT   29   21    8    8   30                                       
CONECT   30   29   27   27   31                                       
CONECT   31   30   32   32   35                                       
CONECT   32   31   31   33   58                                       
CONECT   33   32   36   34   34                                       
CONECT   34   33   33   22   59                                       
CONECT   35   31    3   22   22                                       
CONECT   36   33                                                      
CONECT   37   20   22   15   13                                       
CONECT   37   16   17                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
