COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      52.283  27.023  93.376  1.00  0.00           C  
HETATM    2  C   UNL     1      51.177  27.574  92.445  1.00  0.00           C  
HETATM    3  C   UNL     1      51.856  27.998  91.122  1.00  0.00           C  
HETATM    4  S   UNL     1      53.043  26.933  90.447  1.00  0.00           S  
HETATM    5  C   UNL     1      51.692  29.240  90.626  1.00  0.00           C  
HETATM    6  S   UNL     1      52.406  29.759  89.143  1.00  0.00           S  
HETATM    7  W   UNL     1      53.918  27.970  88.386  1.00  0.00           W  
HETATM    8  C   UNL     1      50.766  30.300  91.268  1.00  0.00           C  
HETATM    9  N   UNL     1      51.592  31.285  91.970  1.00  0.00           N  
HETATM   10  C   UNL     1      50.870  32.269  92.546  1.00  0.00           C  
HETATM   11  C   UNL     1      51.271  33.630  92.599  1.00  0.00           C  
HETATM   12  O   UNL     1      52.489  33.999  92.097  1.00  0.00           O  
HETATM   13  N   UNL     1      50.502  34.506  93.284  1.00  0.00           N  
HETATM   14  C   UNL     1      49.371  34.152  93.973  1.00  0.00           C  
HETATM   15  N   UNL     1      48.574  35.050  94.585  1.00  0.00           N  
HETATM   16  N   UNL     1      48.975  32.864  93.947  1.00  0.00           N  
HETATM   17  C   UNL     1      49.669  31.931  93.238  1.00  0.00           C  
HETATM   18  N   UNL     1      49.305  30.645  93.257  1.00  0.00           N  
HETATM   19  C   UNL     1      50.067  29.660  92.505  1.00  0.00           C  
HETATM   20  O   UNL     1      50.883  28.734  93.159  1.00  0.00           O  
HETATM   21  C   UNL     1      56.773  29.861  92.032  1.00  0.00           C  
HETATM   22  C   UNL     1      57.778  29.225  91.051  1.00  0.00           C  
HETATM   23  C   UNL     1      56.805  28.500  90.080  1.00  0.00           C  
HETATM   24  S   UNL     1      55.770  29.492  89.094  1.00  0.00           S  
HETATM   25  C   UNL     1      56.761  27.109  89.954  1.00  0.00           C  
HETATM   26  S   UNL     1      55.659  26.306  88.849  1.00  0.00           S  
HETATM   27  C   UNL     1      57.707  26.206  90.735  1.00  0.00           C  
HETATM   28  N   UNL     1      57.076  25.854  92.013  1.00  0.00           N  
HETATM   29  C   UNL     1      57.990  25.330  92.915  1.00  0.00           C  
HETATM   30  C   UNL     1      57.616  24.512  94.012  1.00  0.00           C  
HETATM   31  O   UNL     1      56.303  24.145  94.167  1.00  0.00           O  
HETATM   32  N   UNL     1      58.574  24.020  94.818  1.00  0.00           N  
HETATM   33  C   UNL     1      59.914  24.119  94.565  1.00  0.00           C  
HETATM   34  N   UNL     1      60.770  23.561  95.455  1.00  0.00           N  
HETATM   35  N   UNL     1      60.353  24.853  93.527  1.00  0.00           N  
HETATM   36  C   UNL     1      59.434  25.489  92.756  1.00  0.00           C  
HETATM   37  N   UNL     1      59.869  26.425  91.906  1.00  0.00           N  
HETATM   38  C   UNL     1      58.950  27.116  91.022  1.00  0.00           C  
HETATM   39  O   UNL     1      58.633  28.312  91.688  1.00  0.00           O  
HETATM   40  P   UNL     1      52.412  26.800  96.010  1.00  0.00           P  
HETATM   41  P   UNL     1      56.962  31.214  94.256  1.00  0.00           P  
HETATM   42 MG   UNL     1      54.640  29.207  95.525  1.00  0.00          Mg  
HETATM   43  C   UNL     1      54.074  35.199  91.395  1.00  0.00           C  
HETATM   44  O   UNL     1      52.894  28.288  95.995  1.00  0.00           O  
HETATM   45  O   UNL     1      51.369  26.609  97.166  1.00  0.00           O  
HETATM   46  O   UNL     1      53.571  25.855  96.031  1.00  0.00           O  
HETATM   47  O   UNL     1      51.680  26.581  94.596  1.00  0.00           O  
HETATM   48  O   UNL     1      56.414  30.045  95.122  1.00  0.00           O  
HETATM   49  O   UNL     1      58.084  32.074  94.886  1.00  0.00           O  
HETATM   50  O   UNL     1      55.811  32.048  93.911  1.00  0.00           O  
HETATM   51  O   UNL     1      57.567  30.659  92.942  1.00  0.00           O  
HETATM   52  O   UNL     1      53.825  28.861  86.469  1.00  0.00           O  
HETATM   53  H   UNL     1      53.016  27.048  92.536  1.00  0.00           H  
HETATM   54  H   UNL     1      50.324  26.895  92.211  1.00  0.00           H  
HETATM   55  H   UNL     1      50.099  30.695  90.466  1.00  0.00           H  
HETATM   56  H   UNL     1      52.302  31.671  91.348  1.00  0.00           H  
HETATM   57  H   UNL     1      47.732  34.786  95.097  1.00  0.00           H  
HETATM   58  H   UNL     1      48.302  35.742  93.887  1.00  0.00           H  
HETATM   59  H   UNL     1      48.327  30.582  92.971  1.00  0.00           H  
HETATM   60  H   UNL     1      49.244  28.973  92.195  1.00  0.00           H  
HETATM   61  H   UNL     1      55.919  29.420  91.465  1.00  0.00           H  
HETATM   62  H   UNL     1      58.470  29.954  90.569  1.00  0.00           H  
HETATM   63  H   UNL     1      57.965  25.267  90.191  1.00  0.00           H  
HETATM   64  H   UNL     1      56.287  25.222  91.875  1.00  0.00           H  
HETATM   65  H   UNL     1      58.267  23.545  95.667  1.00  0.00           H  
HETATM   66  H   UNL     1      61.769  23.634  95.266  1.00  0.00           H  
HETATM   67  H   UNL     1      60.525  22.579  95.584  1.00  0.00           H  
HETATM   68  H   UNL     1      60.609  26.015  91.336  1.00  0.00           H  
HETATM   69  H   UNL     1      59.379  27.345  90.018  1.00  0.00           H  
HETATM   70  H   UNL     1      55.066  35.499  90.985  1.00  0.00           H  
HETATM   71  H   UNL     1      53.472  35.728  90.619  1.00  0.00           H  
HETATM   72  H   UNL     1      54.132  35.842  92.303  1.00  0.00           H  
HETATM   73  H   UNL     1      53.617  25.775  96.976  1.00  0.00           H  
HETATM   74  H   UNL     1      55.879  32.540  94.720  1.00  0.00           H  
HETATM   75  H   UNL     1      54.161  29.260  85.675  1.00  0.00           H  
HETATM   76  H   UNL     1      56.110  30.252  92.818  1.00  0.00           H  
HETATM   77  H   UNL     1      53.038  26.913  94.168  1.00  0.00           H  
CONECT    1    2   47   53   77                                       
CONECT    2    1    3   20   54                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3    7                                                 
CONECT    5    3    3    6    8                                       
CONECT    6    5    7                                                 
CONECT    7    4    6   24   26                                       
CONECT    7   52                                                      
CONECT    8    5    9   19   55                                       
CONECT    9    8   10   56                                            
CONECT   10    9   11   17   17                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   43                                                 
CONECT   13   11   11   14                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   57   58                                            
CONECT   16   14   14   17                                            
CONECT   17   10   10   16   18                                       
CONECT   18   17   19   59                                            
CONECT   19    8   18   20   60                                       
CONECT   20    2   19                                                 
CONECT   21   22   51   61   76                                       
CONECT   22   21   23   39   62                                       
CONECT   23   22   24   25   25                                       
CONECT   24    7   23                                                 
CONECT   25   23   23   26   27                                       
CONECT   26    7   25                                                 
CONECT   27   25   28   38   63                                       
CONECT   28   27   29   64                                            
CONECT   29   28   30   36   36                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   65                                            
CONECT   33   32   34   35   35                                       
CONECT   34   33   66   67                                            
CONECT   35   33   33   36                                            
CONECT   36   29   29   35   37                                       
CONECT   37   36   38   68                                            
CONECT   38   27   37   39   69                                       
CONECT   39   22   38                                                 
CONECT   40   44   45   45   46                                       
CONECT   40   47                                                      
CONECT   41   48   49   49   50                                       
CONECT   41   51                                                      
CONECT   42   44   48                                                 
CONECT   43   12   70   71   72                                       
CONECT   44   40   42                                                 
CONECT   45   40   40                                                 
CONECT   46   40   73                                                 
CONECT   47    1   40                                                 
CONECT   48   41   42                                                 
CONECT   49   41   41                                                 
CONECT   50   41   74                                                 
CONECT   51   21   41                                                 
CONECT   52    7   75                                                 
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   43                                                      
CONECT   71   43                                                      
CONECT   72   43                                                      
CONECT   73   46                                                      
CONECT   74   50                                                      
CONECT   75   52                                                      
CONECT   76   21                                                      
CONECT   77    1                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
