COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 RU   UNL     1      12.579   5.091 -10.700  1.00  0.00          Ru  
HETATM    2  C   UNL     1      14.339   4.441 -11.864  1.00  0.00           C  
HETATM    3  C   UNL     1      14.735   4.739 -10.569  1.00  0.00           C  
HETATM    4  C   UNL     1      14.094   3.859  -9.716  1.00  0.00           C  
HETATM    5  C   UNL     1      13.276   3.040 -10.474  1.00  0.00           C  
HETATM    6  C   UNL     1      13.442   3.389 -11.792  1.00  0.00           C  
HETATM    7  C   UNL     1      11.768   7.016 -11.387  1.00  0.00           C  
HETATM    8  C   UNL     1      10.867   6.011 -11.682  1.00  0.00           C  
HETATM    9  C   UNL     1      10.449   5.409 -10.495  1.00  0.00           C  
HETATM   10  C   UNL     1      11.088   6.081  -9.447  1.00  0.00           C  
HETATM   11  C   UNL     1      11.905   7.058 -10.006  1.00  0.00           C  
HETATM   12  C   UNL     1       9.597   4.197 -10.390  1.00  0.00           C  
HETATM   13  C   UNL     1       9.230   3.480 -11.681  1.00  0.00           C  
HETATM   14  C   UNL     1       7.893   2.765 -11.594  1.00  0.00           C  
HETATM   15  C   UNL     1       7.583   2.000 -12.871  1.00  0.00           C  
HETATM   16  O   UNL     1       9.089   3.917  -9.321  1.00  0.00           O  
HETATM   17  O   UNL     1       8.377   2.019 -13.808  1.00  0.00           O  
HETATM   18  N   UNL     1       6.486   1.248 -12.899  1.00  0.00           N  
HETATM   19  C   UNL     1       6.139   0.484 -14.096  1.00  0.00           C  
HETATM   20  N   UNL     1       3.696   0.525 -13.590  1.00  0.00           N  
HETATM   21  C   UNL     1       4.823  -0.329 -13.926  1.00  0.00           C  
HETATM   22  S   UNL     1       5.037  -1.506 -12.597  1.00  0.00           S  
HETATM   23  C   UNL     1       3.355  -1.279 -12.049  1.00  0.00           C  
HETATM   24  CA  UNL     1       3.097   0.225 -12.314  1.00  0.00           C  
HETATM   25  C   UNL     1       2.387  -2.197 -12.825  1.00  0.00           C  
HETATM   26  C   UNL     1       3.257  -1.521 -10.535  1.00  0.00           C  
HETATM   27  C   UNL     1       1.655   0.543 -12.337  1.00  0.00           C  
HETATM   28  O   UNL     1       0.993   0.526 -13.355  1.00  0.00           O  
HETATM   29  OXT UNL     1       1.142   0.924 -11.205  1.00  0.00           O  
HETATM   30  H   UNL     1       9.181   4.220 -12.493  1.00  0.00           H  
HETATM   31  H   UNL     1      10.011   2.739 -11.907  1.00  0.00           H  
HETATM   32  H   UNL     1       7.921   2.058 -10.752  1.00  0.00           H  
HETATM   33  H   UNL     1       7.101   3.509 -11.422  1.00  0.00           H  
HETATM   34  H   UNL     1       5.894   1.205 -12.094  1.00  0.00           H  
HETATM   35  H   UNL     1       6.015   1.183 -14.936  1.00  0.00           H  
HETATM   36  H   UNL     1       6.959  -0.215 -14.318  1.00  0.00           H  
HETATM   37  H   UNL     1       4.013   1.473 -13.574  1.00  0.00           H  
HETATM   38  H   UNL     1       4.624  -0.907 -14.840  1.00  0.00           H  
HETATM   39  HA  UNL     1       3.589   0.809 -11.522  1.00  0.00           H  
HETATM   40  H   UNL     1       1.360  -2.035 -12.466  1.00  0.00           H  
HETATM   41  H   UNL     1       2.441  -1.963 -13.899  1.00  0.00           H  
HETATM   42  H   UNL     1       2.670  -3.248 -12.664  1.00  0.00           H  
HETATM   43  H   UNL     1       2.217  -1.379 -10.207  1.00  0.00           H  
HETATM   44  H   UNL     1       3.576  -2.549 -10.307  1.00  0.00           H  
HETATM   45  H   UNL     1       3.908  -0.809 -10.007  1.00  0.00           H  
HETATM   46  HXT UNL     1       0.231   1.162 -11.334  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   30   31                                       
CONECT   14   13   15   32   33                                       
CONECT   15   14   17   17   18                                       
CONECT   16   12   12                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   34                                            
CONECT   19   18   21   35   36                                       
CONECT   20   21   24   37                                            
CONECT   21   19   20   22   38                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   20   23   27   39                                       
CONECT   25   23   40   41   42                                       
CONECT   26   23   43   44   45                                       
CONECT   27   24   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   46                                                 
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
