COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 RU   UNL     1     -20.659  14.334 -26.264  1.00  0.00          Ru  
HETATM    2  C   UNL     1     -20.502  13.949 -28.430  1.00  0.00           C  
HETATM    3  C   UNL     1     -21.839  14.030 -28.090  1.00  0.00           C  
HETATM    4  C   UNL     1     -22.079  15.305 -27.621  1.00  0.00           C  
HETATM    5  C   UNL     1     -20.888  16.010 -27.638  1.00  0.00           C  
HETATM    6  C   UNL     1     -19.908  15.164 -28.142  1.00  0.00           C  
HETATM    7  C   UNL     1     -19.938  12.597 -25.096  1.00  0.00           C  
HETATM    8  C   UNL     1     -19.055  13.658 -24.920  1.00  0.00           C  
HETATM    9  C   UNL     1     -19.746  14.709 -24.341  1.00  0.00           C  
HETATM   10  C   UNL     1     -21.046  14.269 -24.110  1.00  0.00           C  
HETATM   11  C   UNL     1     -21.174  12.983 -24.630  1.00  0.00           C  
HETATM   12  C   UNL     1     -19.170  16.041 -24.039  1.00  0.00           C  
HETATM   13  C   UNL     1     -17.769  16.317 -24.570  1.00  0.00           C  
HETATM   14  C   UNL     1     -17.264  17.678 -24.146  1.00  0.00           C  
HETATM   15  C   UNL     1     -17.065  17.724 -22.657  1.00  0.00           C  
HETATM   16  O   UNL     1     -19.818  16.853 -23.405  1.00  0.00           O  
HETATM   17  O   UNL     1     -16.807  16.709 -22.018  1.00  0.00           O  
HETATM   18  N   UNL     1     -17.207  18.918 -22.113  1.00  0.00           N  
HETATM   19  CA  UNL     1     -16.985  19.114 -20.711  1.00  0.00           C  
HETATM   20  C   UNL     1     -18.159  18.686 -19.876  1.00  0.00           C  
HETATM   21  N   UNL     1     -16.327  20.905 -19.145  1.00  0.00           N  
HETATM   22  C   UNL     1     -16.662  20.584 -20.518  1.00  0.00           C  
HETATM   23  O   UNL     1     -19.317  19.015 -20.106  1.00  0.00           O  
HETATM   24  S   UNL     1     -15.255  21.119 -21.445  1.00  0.00           S  
HETATM   25  C   UNL     1     -14.584  22.212 -20.197  1.00  0.00           C  
HETATM   26  CA  UNL     1     -15.591  22.143 -19.025  1.00  0.00           C  
HETATM   27  C   UNL     1     -14.531  23.648 -20.725  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.180  21.743 -19.782  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.934  22.260 -17.696  1.00  0.00           C  
HETATM   30  O   UNL     1     -14.645  23.362 -17.252  1.00  0.00           O  
HETATM   31  OXT UNL     1     -14.830  21.180 -16.940  1.00  0.00           O  
HETATM   32  OXT UNL     1     -17.918  17.869 -18.860  1.00  0.00           O  
HETATM   33  H   UNL     1     -17.084  15.547 -24.184  1.00  0.00           H  
HETATM   34  H   UNL     1     -17.790  16.272 -25.669  1.00  0.00           H  
HETATM   35  H   UNL     1     -16.305  17.881 -24.646  1.00  0.00           H  
HETATM   36  H   UNL     1     -17.998  18.444 -24.437  1.00  0.00           H  
HETATM   37  H   UNL     1     -17.472  19.694 -22.685  1.00  0.00           H  
HETATM   38  HA  UNL     1     -16.108  18.528 -20.399  1.00  0.00           H  
HETATM   39  H   UNL     1     -17.174  20.984 -18.619  1.00  0.00           H  
HETATM   40  H   UNL     1     -17.512  21.193 -20.858  1.00  0.00           H  
HETATM   41  HA  UNL     1     -16.291  22.984 -19.139  1.00  0.00           H  
HETATM   42  H   UNL     1     -14.117  24.309 -19.949  1.00  0.00           H  
HETATM   43  H   UNL     1     -13.891  23.686 -21.619  1.00  0.00           H  
HETATM   44  H   UNL     1     -15.547  23.980 -20.986  1.00  0.00           H  
HETATM   45  H   UNL     1     -12.778  22.422 -19.015  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.240  20.723 -19.374  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.517  21.748 -20.660  1.00  0.00           H  
HETATM   48  HXT UNL     1     -14.517  21.426 -16.077  1.00  0.00           H  
HETATM   49  HXT UNL     1     -18.736  17.645 -18.432  1.00  0.00           H  
CONECT    1    2    3    4    5                                       
CONECT    1    6    7    8    9                                       
CONECT    1   10   11                                                 
CONECT    2    1    3    6                                            
CONECT    3    1    2    4                                            
CONECT    4    1    3    5                                            
CONECT    5    1    4    6                                            
CONECT    6    1    2    5                                            
CONECT    7    1    8   11                                            
CONECT    8    1    7    9                                            
CONECT    9    1    8   10   12                                       
CONECT   10    1    9   11                                            
CONECT   11    1    7   10                                            
CONECT   12    9   13   16   16                                       
CONECT   13   12   14   33   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   17   17   18                                       
CONECT   16   12   12                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   37                                            
CONECT   19   18   20   22   38                                       
CONECT   20   19   23   23   32                                       
CONECT   21   22   26   39                                            
CONECT   22   19   21   24   40                                       
CONECT   23   20   20                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   21   25   29   41                                       
CONECT   27   25   42   43   44                                       
CONECT   28   25   45   46   47                                       
CONECT   29   26   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   48                                                 
CONECT   32   20   49                                                 
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
CONECT   49   32                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
