COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.304  29.477  -8.483  1.00  0.00           C  
HETATM    2  N   UNL     1      16.355  29.631  -7.507  1.00  0.00           N  
HETATM    3  O   UNL     1      14.084  29.600  -8.179  1.00  0.00           O  
HETATM    4  S   UNL     1      18.038  26.834  -8.703  1.00  0.00           S  
HETATM    5  C   UNL     1      17.636  29.352  -8.097  1.00  0.00           C  
HETATM    6  N   UNL     1      15.856  29.074  -9.721  1.00  0.00           N  
HETATM    7  O   UNL     1      19.286  26.741 -15.242  1.00  0.00           O  
HETATM    8  C   UNL     1      18.345  27.902  -7.758  1.00  0.00           C  
HETATM    9  N   UNL     1      21.135  25.814 -14.726  1.00  0.00           N  
HETATM   10  C   UNL     1      17.265  29.092  -9.673  1.00  0.00           C  
HETATM   11  C   UNL     1      18.096  27.868 -10.193  1.00  0.00           C  
HETATM   12  C   UNL     1      17.538  27.068 -11.342  1.00  0.00           C  
HETATM   13  C   UNL     1      18.539  26.057 -11.959  1.00  0.00           C  
HETATM   14  C   UNL     1      17.927  25.321 -13.129  1.00  0.00           C  
HETATM   15  C   UNL     1      19.075  24.681 -13.905  1.00  0.00           C  
HETATM   16  C   UNL     1      19.775  25.886 -14.654  1.00  0.00           C  
HETATM   17  C   UNL     1      22.932  26.434 -16.279  1.00  0.00           C  
HETATM   18  C   UNL     1      21.887  26.924 -15.396  1.00  0.00           C  
HETATM   19  N   UNL     1      23.798  25.571 -15.413  1.00  0.00           N  
HETATM   20  C   UNL     1      23.111  24.378 -14.838  1.00  0.00           C  
HETATM   21  N   UNL     1      27.889  25.357 -16.462  1.00  0.00           N  
HETATM   22  C   UNL     1      21.898  24.854 -14.074  1.00  0.00           C  
HETATM   23  O   UNL     1      28.744  25.479 -19.228  1.00  0.00           O  
HETATM   24  O   UNL     1      26.439  25.703 -19.904  1.00  0.00           O  
HETATM   25  C   UNL     1      26.982  25.495 -17.420  1.00  0.00           C  
HETATM   26  C   UNL     1      27.590  25.275 -15.091  1.00  0.00           C  
HETATM   27  C   UNL     1      26.277  25.342 -14.631  1.00  0.00           C  
HETATM   28  C   UNL     1      28.647  25.107 -14.103  1.00  0.00           C  
HETATM   29  C   UNL     1      25.624  25.606 -17.088  1.00  0.00           C  
HETATM   30  C   UNL     1      28.402  25.069 -12.679  1.00  0.00           C  
HETATM   31  C   UNL     1      25.238  25.531 -15.712  1.00  0.00           C  
HETATM   32  C   UNL     1      26.043  25.200 -13.332  1.00  0.00           C  
HETATM   33  C   UNL     1      27.041  25.145 -12.275  1.00  0.00           C  
HETATM   34  C   UNL     1      27.402  25.580 -18.908  1.00  0.00           C  
HETATM   35 RU   UNL     1      29.893  25.224 -17.373  1.00  0.00          Ru  
HETATM   36  C   UNL     1      31.070  26.967 -17.948  1.00  0.00           C  
HETATM   37  C   UNL     1      30.554  27.112 -16.709  1.00  0.00           C  
HETATM   38  C   UNL     1      31.914  25.912 -17.927  1.00  0.00           C  
HETATM   39  C   UNL     1      31.918  25.406 -16.675  1.00  0.00           C  
HETATM   40  C   UNL     1      31.078  26.149 -15.923  1.00  0.00           C  
HETATM   41  O   UNL     1      29.967  23.171 -17.598  1.00  0.00           O  
HETATM   42  H   UNL     1      16.212  29.895  -6.553  1.00  0.00           H  
HETATM   43  H   UNL     1      18.362  30.173  -7.996  1.00  0.00           H  
HETATM   44  H   UNL     1      15.319  28.812 -10.523  1.00  0.00           H  
HETATM   45  H   UNL     1      18.010  27.583  -6.760  1.00  0.00           H  
HETATM   46  H   UNL     1      19.435  28.048  -7.749  1.00  0.00           H  
HETATM   47  H   UNL     1      17.626  29.976 -10.220  1.00  0.00           H  
HETATM   48  H   UNL     1      19.144  28.152 -10.366  1.00  0.00           H  
HETATM   49  H   UNL     1      16.663  26.509 -10.980  1.00  0.00           H  
HETATM   50  H   UNL     1      17.226  27.769 -12.130  1.00  0.00           H  
HETATM   51  H   UNL     1      19.430  26.601 -12.305  1.00  0.00           H  
HETATM   52  H   UNL     1      18.831  25.327 -11.190  1.00  0.00           H  
HETATM   53  H   UNL     1      17.237  24.545 -12.767  1.00  0.00           H  
HETATM   54  H   UNL     1      17.381  26.025 -13.774  1.00  0.00           H  
HETATM   55  H   UNL     1      19.780  24.189 -13.219  1.00  0.00           H  
HETATM   56  H   UNL     1      18.692  23.945 -14.627  1.00  0.00           H  
HETATM   57  H   UNL     1      22.499  25.846 -17.101  1.00  0.00           H  
HETATM   58  H   UNL     1      23.512  27.272 -16.694  1.00  0.00           H  
HETATM   59  H   UNL     1      21.179  27.524 -15.986  1.00  0.00           H  
HETATM   60  H   UNL     1      22.347  27.556 -14.622  1.00  0.00           H  
HETATM   61  H   UNL     1      22.799  23.702 -15.648  1.00  0.00           H  
HETATM   62  H   UNL     1      23.794  23.847 -14.159  1.00  0.00           H  
HETATM   63  H   UNL     1      22.241  25.281 -13.120  1.00  0.00           H  
HETATM   64  H   UNL     1      21.255  23.983 -13.877  1.00  0.00           H  
HETATM   65  H   UNL     1      29.664  25.006 -14.452  1.00  0.00           H  
HETATM   66  H   UNL     1      24.881  25.746 -17.859  1.00  0.00           H  
HETATM   67  H   UNL     1      29.206  24.988 -11.963  1.00  0.00           H  
HETATM   68  H   UNL     1      25.009  25.117 -13.030  1.00  0.00           H  
HETATM   69  H   UNL     1      26.761  25.161 -11.232  1.00  0.00           H  
CONECT    1    2    3    3    6                                       
CONECT    2    1    5   42                                            
CONECT    3    1    1                                                 
CONECT    4    8   11                                                 
CONECT    5    2    8   10   43                                       
CONECT    6    1   10   44                                            
CONECT    7   16   16                                                 
CONECT    8    4    5   45   46                                       
CONECT    9   16   18   22                                            
CONECT   10    5    6   11   47                                       
CONECT   11    4   10   12   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16    7    7    9   15                                       
CONECT   17   18   19   57   58                                       
CONECT   18    9   17   59   60                                       
CONECT   19   17   20   31                                            
CONECT   20   19   22   61   62                                       
CONECT   21   25   25   26   35                                       
CONECT   22    9   20   63   64                                       
CONECT   23   34   35                                                 
CONECT   24   34   34                                                 
CONECT   25   21   21   29   34                                       
CONECT   26   21   27   27   28                                       
CONECT   27   26   26   31   32                                       
CONECT   28   26   30   30   65                                       
CONECT   29   25   31   31   66                                       
CONECT   30   28   28   33   67                                       
CONECT   31   19   27   29   29                                       
CONECT   32   27   33   33   68                                       
CONECT   33   30   32   32   69                                       
CONECT   34   23   24   24   25                                       
CONECT   35   21   23   36   37                                       
CONECT   35   38   39   40   41                                       
CONECT   36   35   37   38                                            
CONECT   37   35   36   40                                            
CONECT   38   35   36   39                                            
CONECT   39   35   38   40                                            
CONECT   40   35   37   39                                            
CONECT   41   35                                                      
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
