COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -23.165 -35.571   2.309  1.00  0.00           O  
HETATM    2  C   UNL     1     -23.150 -36.255   1.213  1.00  0.00           C  
HETATM    3  C   UNL     1     -22.897 -35.643  -0.141  1.00  0.00           C  
HETATM    4  N   UNL     1     -23.374 -37.581   1.194  1.00  0.00           N  
HETATM    5  C   UNL     1     -23.272 -37.887  -0.124  1.00  0.00           C  
HETATM    6  O   UNL     1     -23.417 -39.095  -0.573  1.00  0.00           O  
HETATM    7  C   UNL     1     -22.979 -36.718  -1.018  1.00  0.00           C  
HETATM    8  C   UNL     1     -22.807 -36.563  -2.392  1.00  0.00           C  
HETATM    9  C   UNL     1     -22.449 -35.290  -2.840  1.00  0.00           C  
HETATM   10  C   UNL     1     -22.456 -34.216  -1.977  1.00  0.00           C  
HETATM   11  C   UNL     1     -22.628 -34.357  -0.599  1.00  0.00           C  
HETATM   12  C   UNL     1     -22.188 -32.968  -2.698  1.00  0.00           C  
HETATM   13  N   UNL     1     -22.049 -33.048  -4.061  1.00  0.00           N  
HETATM   14  C   UNL     1     -21.806 -31.946  -4.760  1.00  0.00           C  
HETATM   15  C   UNL     1     -21.701 -30.725  -4.076  1.00  0.00           C  
HETATM   16  C   UNL     1     -21.822 -30.624  -2.694  1.00  0.00           C  
HETATM   17  C   UNL     1     -22.074 -31.785  -1.980  1.00  0.00           C  
HETATM   18 RU   UNL     1     -22.300 -34.702  -4.678  1.00  0.00          Ru  
HETATM   19  S   UNL     1     -24.558 -34.354  -4.769  1.00  0.00           S  
HETATM   20  C   UNL     1     -25.161 -35.888  -4.693  1.00  0.00           C  
HETATM   21  C   UNL     1     -24.241 -36.960  -5.330  1.00  0.00           C  
HETATM   22  S   UNL     1     -22.595 -36.601  -5.335  1.00  0.00           S  
HETATM   23  C   UNL     1     -22.150 -36.665  -6.950  1.00  0.00           C  
HETATM   24  C   UNL     1     -22.493 -35.373  -7.666  1.00  0.00           C  
HETATM   25  O   UNL     1     -19.430 -35.091  -4.661  1.00  0.00           O1+
HETATM   26  S   UNL     1     -22.210 -34.060  -6.683  1.00  0.00           S  
HETATM   27  C   UNL     1     -20.554 -34.959  -4.630  1.00  0.00           C  
HETATM   28  C   UNL     1     -23.583 -33.128  -6.975  1.00  0.00           C  
HETATM   29  C   UNL     1     -24.857 -33.618  -6.233  1.00  0.00           C  
HETATM   30  H   UNL     1     -23.568 -38.191   1.962  1.00  0.00           H  
HETATM   31  H   UNL     1     -22.556 -33.515   0.074  1.00  0.00           H  
HETATM   32  H   UNL     1     -22.944 -37.387  -3.077  1.00  0.00           H  
HETATM   33  H   UNL     1     -22.178 -31.770  -0.905  1.00  0.00           H  
HETATM   34  H   UNL     1     -21.691 -31.988  -5.833  1.00  0.00           H  
HETATM   35  H   UNL     1     -21.519 -29.826  -4.647  1.00  0.00           H  
HETATM   36  H   UNL     1     -21.723 -29.672  -2.194  1.00  0.00           H  
HETATM   37  H   UNL     1     -25.313 -36.148  -3.635  1.00  0.00           H  
HETATM   38  H   UNL     1     -26.128 -35.906  -5.218  1.00  0.00           H  
HETATM   39  H   UNL     1     -25.377 -34.339  -6.881  1.00  0.00           H  
HETATM   40  H   UNL     1     -25.508 -32.749  -6.055  1.00  0.00           H  
HETATM   41  H   UNL     1     -24.380 -37.899  -4.774  1.00  0.00           H  
HETATM   42  H   UNL     1     -24.559 -37.102  -6.373  1.00  0.00           H  
HETATM   43  H   UNL     1     -21.065 -36.835  -7.017  1.00  0.00           H  
HETATM   44  H   UNL     1     -22.682 -37.496  -7.436  1.00  0.00           H  
HETATM   45  H   UNL     1     -21.873 -35.286  -8.571  1.00  0.00           H  
HETATM   46  H   UNL     1     -23.556 -35.389  -7.950  1.00  0.00           H  
HETATM   47  H   UNL     1     -23.374 -32.096  -6.656  1.00  0.00           H  
HETATM   48  H   UNL     1     -23.786 -33.143  -8.056  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    7   11   11                                       
CONECT    4    2    5   30                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    3    5    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   10   10   18                                       
CONECT   10    9    9   11   12                                       
CONECT   11    3    3   10   31                                       
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   15   34                                       
CONECT   15   14   14   16   35                                       
CONECT   16   15   17   17   36                                       
CONECT   17   12   16   16   33                                       
CONECT   18    9   13   19   22                                       
CONECT   18   26   27                                                 
CONECT   19   18   20   29                                            
CONECT   20   19   21   37   38                                       
CONECT   21   20   22   41   42                                       
CONECT   22   18   21   23                                            
CONECT   23   22   24   43   44                                       
CONECT   24   23   26   45   46                                       
CONECT   25   27   27   27                                            
CONECT   26   18   24   28                                            
CONECT   27   18   25   25   25                                       
CONECT   28   26   29   47   48                                       
CONECT   29   19   28   39   40                                       
CONECT   30    4                                                      
CONECT   31   11                                                      
CONECT   32    8                                                      
CONECT   33   17                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   29                                                      
CONECT   40   29                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
