COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.281  -1.447 -12.901  1.00  0.00           C  
HETATM    2  C   UNL     1      14.814   5.118  -9.953  1.00  0.00           C  
HETATM    3  C   UNL     1      14.618   4.332 -11.069  1.00  0.00           C  
HETATM    4  C   UNL     1      13.693   3.347 -10.752  1.00  0.00           C  
HETATM    5  C   UNL     1      13.305   3.535  -9.453  1.00  0.00           C  
HETATM    6  C   UNL     1      13.990   4.610  -8.948  1.00  0.00           C  
HETATM    7  C   UNL     1      11.877   7.339 -10.376  1.00  0.00           C  
HETATM    8  C   UNL     1      11.035   6.419  -9.743  1.00  0.00           C  
HETATM    9  C   UNL     1      10.539   5.529 -10.690  1.00  0.00           C  
HETATM   10  C   UNL     1      11.900   7.028 -11.736  1.00  0.00           C  
HETATM   11  CA  UNL     1       5.368   2.392 -14.181  1.00  0.00           C  
HETATM   12  C   UNL     1       5.072   0.962 -14.459  1.00  0.00           C  
HETATM   13  O   UNL     1       3.698   3.729 -13.554  1.00  0.00           O  
HETATM   14  C   UNL     1       4.298   3.270 -14.572  1.00  0.00           C  
HETATM   15  S   UNL     1       6.204  -0.306 -13.903  1.00  0.00           S  
HETATM   16  C   UNL     1       4.103  -0.774 -12.187  1.00  0.00           C  
HETATM   17  C   UNL     1       3.814  -1.236 -10.787  1.00  0.00           C  
HETATM   18  CA  UNL     1       3.327   0.152 -12.801  1.00  0.00           C  
HETATM   19  C   UNL     1       1.906   0.352 -12.403  1.00  0.00           C  
HETATM   20  O   UNL     1       1.592   0.738 -11.274  1.00  0.00           O  
HETATM   21  OXT UNL     1       1.000   0.138 -13.232  1.00  0.00           O  
HETATM   22  N   UNL     1       3.733   0.895 -13.847  1.00  0.00           N  
HETATM   23  N   UNL     1       6.159   2.796 -13.062  1.00  0.00           N  
HETATM   24  C   UNL     1       7.479   2.732 -12.931  1.00  0.00           C  
HETATM   25  O   UNL     1       8.261   2.311 -13.756  1.00  0.00           O  
HETATM   26  C   UNL     1       7.929   3.271 -11.603  1.00  0.00           C  
HETATM   27  C   UNL     1       9.430   3.415 -11.556  1.00  0.00           C  
HETATM   28  C   UNL     1       9.652   4.365 -10.407  1.00  0.00           C  
HETATM   29  O   UNL     1       9.144   4.209  -9.304  1.00  0.00           O  
HETATM   30 RU   UNL     1      12.707   5.308 -10.616  1.00  0.00          Ru  
HETATM   31  C   UNL     1      11.080   5.929 -11.934  1.00  0.00           C  
HETATM   32  OXT UNL     1       3.669   3.199 -15.759  1.00  0.00           O  
HETATM   33  H   UNL     1       4.892  -2.249 -13.545  1.00  0.00           H  
HETATM   34  H   UNL     1       5.954  -1.878 -12.145  1.00  0.00           H  
HETATM   35  HA  UNL     1       6.080   2.591 -14.996  1.00  0.00           H  
HETATM   36  H   UNL     1       4.979   0.821 -15.546  1.00  0.00           H  
HETATM   37  H   UNL     1       2.972  -0.829 -10.247  1.00  0.00           H  
HETATM   38  H   UNL     1       4.448  -1.975 -10.321  1.00  0.00           H  
HETATM   39  HXT UNL     1       0.157   0.319 -12.834  1.00  0.00           H  
HETATM   40  H   UNL     1       5.658   3.173 -12.283  1.00  0.00           H  
HETATM   41  H   UNL     1       7.468   4.256 -11.440  1.00  0.00           H  
HETATM   42  H   UNL     1       7.609   2.581 -10.808  1.00  0.00           H  
HETATM   43  H   UNL     1       9.913   2.445 -11.365  1.00  0.00           H  
HETATM   44  H   UNL     1       9.815   3.837 -12.496  1.00  0.00           H  
HETATM   45  HXT UNL     1       2.783   3.530 -15.669  1.00  0.00           H  
CONECT    1   15   16   33   34                                       
CONECT    2    3    6   30                                            
CONECT    3    2    4   30                                            
CONECT    4    3    5   30                                            
CONECT    5    4    6   30                                            
CONECT    6    2    5   30                                            
CONECT    7    8   10   30                                            
CONECT    8    7    9   30                                            
CONECT    9    8   28   30   31                                       
CONECT   10    7   30   31                                            
CONECT   11   12   14   23   35                                       
CONECT   12   11   15   22   36                                       
CONECT   13   14   14                                                 
CONECT   14   11   13   13   32                                       
CONECT   15    1   12                                                 
CONECT   16    1   17   17   18                                       
CONECT   17   16   16   37   38                                       
CONECT   18   16   19   22   22                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   39                                                 
CONECT   22   12   18   18                                            
CONECT   23   11   24   40                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   41   42                                       
CONECT   27   26   28   43   44                                       
CONECT   28    9   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30    2    3    4    5                                       
CONECT   30    6    7    8    9                                       
CONECT   30   10   31                                                 
CONECT   31    9   10   30                                            
CONECT   32   14   45                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   32                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
