COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -30.178  23.423  -8.785  1.00  0.00           O  
HETATM    2  C   UNL     1     -30.551  22.961  -7.764  1.00  0.00           C  
HETATM    3  CA  UNL     1     -30.867  21.601  -7.366  1.00  0.00           C  
HETATM    4  C   UNL     1     -31.044  22.056  -5.963  1.00  0.00           C  
HETATM    5  S   UNL     1     -29.685  21.640  -4.931  1.00  0.00           S  
HETATM    6  C   UNL     1     -29.976  24.436  -4.599  1.00  0.00           C  
HETATM    7  C   UNL     1     -29.777  25.681  -3.764  1.00  0.00           C  
HETATM    8  CA  UNL     1     -30.383  24.517  -5.895  1.00  0.00           C  
HETATM    9  C   UNL     1     -30.470  25.780  -6.650  1.00  0.00           C  
HETATM   10  O   UNL     1     -29.595  26.643  -6.508  1.00  0.00           O  
HETATM   11  OXT UNL     1     -31.389  25.913  -7.408  1.00  0.00           O  
HETATM   12  N   UNL     1     -30.703  23.362  -6.522  1.00  0.00           N  
HETATM   13  N   UNL     1     -30.384  20.434  -7.923  1.00  0.00           N  
HETATM   14  C   UNL     1     -30.921  19.233  -7.775  1.00  0.00           C  
HETATM   15  O   UNL     1     -31.950  19.046  -7.231  1.00  0.00           O  
HETATM   16  C   UNL     1     -30.144  18.083  -8.360  1.00  0.00           C  
HETATM   17  C   UNL     1     -29.974  16.964  -7.312  1.00  0.00           C  
HETATM   18  C   UNL     1     -29.147  17.303  -6.084  1.00  0.00           C  
HETATM   19  O   UNL     1     -28.473  18.270  -6.015  1.00  0.00           O  
HETATM   20  C   UNL     1     -29.741  23.091  -3.891  1.00  0.00           C  
HETATM   21 RU   UNL     1     -30.820  16.891  -3.446  1.00  0.00          Ru  
HETATM   22  C   UNL     1     -32.566  18.009  -4.101  1.00  0.00           C  
HETATM   23  C   UNL     1     -33.005  17.059  -3.194  1.00  0.00           C  
HETATM   24  C   UNL     1     -32.391  17.328  -1.987  1.00  0.00           C  
HETATM   25  C   UNL     1     -31.587  18.435  -2.140  1.00  0.00           C  
HETATM   26  C   UNL     1     -31.685  18.865  -3.451  1.00  0.00           C  
HETATM   27  C   UNL     1     -29.121  15.666  -2.806  1.00  0.00           C  
HETATM   28  C   UNL     1     -28.683  16.661  -3.646  1.00  0.00           C  
HETATM   29  C   UNL     1     -29.264  16.450  -4.875  1.00  0.00           C  
HETATM   30  C   UNL     1     -30.071  15.331  -4.790  1.00  0.00           C  
HETATM   31  C   UNL     1     -29.974  14.855  -3.513  1.00  0.00           C  
HETATM   32  HA  UNL     1     -31.920  21.551  -7.679  1.00  0.00           H  
HETATM   33  H   UNL     1     -32.025  21.918  -5.485  1.00  0.00           H  
HETATM   34  H   UNL     1     -29.449  25.397  -2.753  1.00  0.00           H  
HETATM   35  H   UNL     1     -29.012  26.318  -4.232  1.00  0.00           H  
HETATM   36  H   UNL     1     -30.725  26.234  -3.699  1.00  0.00           H  
HETATM   37  HXT UNL     1     -31.319  26.752  -7.847  1.00  0.00           H  
HETATM   38  H   UNL     1     -29.560  20.501  -8.485  1.00  0.00           H  
HETATM   39  H   UNL     1     -30.685  17.685  -9.231  1.00  0.00           H  
HETATM   40  H   UNL     1     -29.152  18.438  -8.676  1.00  0.00           H  
HETATM   41  H   UNL     1     -30.978  16.673  -6.969  1.00  0.00           H  
HETATM   42  H   UNL     1     -29.495  16.109  -7.811  1.00  0.00           H  
HETATM   43  H   UNL     1     -30.555  22.950  -3.164  1.00  0.00           H  
HETATM   44  H   UNL     1     -28.781  23.157  -3.358  1.00  0.00           H  
HETATM   45  H   UNL     1     -32.696  17.949  -5.192  1.00  0.00           H  
HETATM   46  H   UNL     1     -33.510  16.117  -3.456  1.00  0.00           H  
HETATM   47  H   UNL     1     -32.347  16.631  -1.137  1.00  0.00           H  
HETATM   48  H   UNL     1     -30.826  18.771  -1.421  1.00  0.00           H  
HETATM   49  H   UNL     1     -31.030  19.602  -3.938  1.00  0.00           H  
HETATM   50  H   UNL     1     -29.018  15.673  -1.711  1.00  0.00           H  
HETATM   51  H   UNL     1     -28.144  17.569  -3.339  1.00  0.00           H  
HETATM   52  H   UNL     1     -30.832  15.039  -5.529  1.00  0.00           H  
HETATM   53  H   UNL     1     -30.667  14.131  -3.059  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   13   32                                       
CONECT    4    3    5   12   33                                       
CONECT    5    4   20                                                 
CONECT    6    7    8    8   20                                       
CONECT    7    6   34   35   36                                       
CONECT    8    6    6    9   12                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   37                                                 
CONECT   12    2    4    8                                            
CONECT   13    3   14   38                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   19   29                                       
CONECT   19   18   18                                                 
CONECT   20    5    6   43   44                                       
CONECT   21   22   23   24   25                                       
CONECT   21   26   27   28   29                                       
CONECT   21   30   31                                                 
CONECT   22   21   23   26   45                                       
CONECT   23   21   22   24   46                                       
CONECT   24   21   23   25   47                                       
CONECT   25   21   24   26   48                                       
CONECT   26   21   22   25   49                                       
CONECT   27   21   28   31   50                                       
CONECT   28   21   27   29   51                                       
CONECT   29   18   21   28   30                                       
CONECT   30   21   29   31   52                                       
CONECT   31   21   27   30   53                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
