COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.078   4.172   2.099  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.432   5.231   2.995  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.234   3.349   1.193  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.548  -0.345   0.899  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.566  -3.553  -0.926  1.00  0.00           C  
HETATM    6  C   UNL     1       6.005   1.485  -0.758  1.00  0.00           C  
HETATM    7  O   UNL     1       7.083   2.158  -0.104  1.00  0.00           O  
HETATM    8  C   UNL     1       4.655   1.917  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1       3.783   2.558  -1.236  1.00  0.00           C  
HETATM   10  O   UNL     1       2.582   3.060  -0.645  1.00  0.00           O  
HETATM   11  P   UNL     1       1.431   3.800  -1.492  1.00  0.00           P  
HETATM   12  O   UNL     1       2.006   5.180  -2.088  1.00  0.00           O  
HETATM   13  O   UNL     1       0.997   2.925  -2.605  1.00  0.00           O  
HETATM   14  O   UNL     1       0.175   4.111  -0.534  1.00  0.00           O  
HETATM   15  P   UNL     1      -1.380   4.433  -0.797  1.00  0.00           P  
HETATM   16  O   UNL     1      -1.533   5.942  -1.335  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.914   3.492  -1.807  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.202   4.268   0.578  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.625   4.383   0.653  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.654   2.779   2.568  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.601   4.296   2.179  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.987   5.636   1.867  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.782   3.782   0.201  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.193   2.020   1.413  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.715   1.094   0.405  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.085  -1.297  -0.138  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.556  -0.868  -1.170  1.00  0.00           O  
HETATM   28  N   UNL     1      -7.044  -2.626   0.082  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.399  -4.991  -0.432  1.00  0.00           C  
HETATM   30  S   UNL     1      -8.045  -6.135  -1.677  1.00  0.00           S  
HETATM   31  C   UNL     1      -7.743  -7.628  -0.894  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.123  -8.922  -1.566  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.223  -7.643   0.202  1.00  0.00           O  
HETATM   34  O   UNL     1       4.016   0.734   0.354  1.00  0.00           O  
HETATM   35  C   UNL     1       5.064  -0.204   0.679  1.00  0.00           C  
HETATM   36  N   UNL     1       4.539  -1.571   0.719  1.00  0.00           N  
HETATM   37  C   UNL     1       3.423  -2.025   0.082  1.00  0.00           C  
HETATM   38  N   UNL     1       3.250  -3.290   0.335  1.00  0.00           N  
HETATM   39  C   UNL     1       4.242  -3.727   1.148  1.00  0.00           C  
HETATM   40  C   UNL     1       5.084  -2.631   1.400  1.00  0.00           C  
HETATM   41  N   UNL     1       6.146  -2.798   2.181  1.00  0.00           N  
HETATM   42  C   UNL     1       6.410  -3.973   2.713  1.00  0.00           C  
HETATM   43  N   UNL     1       5.648  -5.032   2.505  1.00  0.00           N  
HETATM   44  C   UNL     1       4.567  -4.962   1.736  1.00  0.00           C  
HETATM   45  N   UNL     1       3.775  -6.076   1.524  1.00  0.00           N  
HETATM   46  C   UNL     1       6.073  -0.037  -0.486  1.00  0.00           C  
HETATM   47  O   UNL     1       7.388  -0.425  -0.082  1.00  0.00           O  
HETATM   48  P   UNL     1       8.210  -1.611  -0.796  1.00  0.00           P  
HETATM   49  O   UNL     1       9.693  -1.686  -0.174  1.00  0.00           O  
HETATM   50  O   UNL     1       7.454  -3.012  -0.550  1.00  0.00           O  
HETATM   51  O   UNL     1       8.297  -1.346  -2.249  1.00  0.00           O  
HETATM   52  H   UNL     1      -3.635   6.222   2.590  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.846   5.157   4.001  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.355   5.067   3.033  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.491  -0.550   1.068  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.097  -0.475   1.831  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.623  -3.347  -1.095  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.017  -3.423  -1.858  1.00  0.00           H  
HETATM   59  H   UNL     1       6.026   1.685  -1.829  1.00  0.00           H  
HETATM   60  H   UNL     1       7.057   3.121  -0.193  1.00  0.00           H  
HETATM   61  H   UNL     1       4.821   2.626   0.656  1.00  0.00           H  
HETATM   62  H   UNL     1       4.328   3.378  -1.703  1.00  0.00           H  
HETATM   63  H   UNL     1       3.533   1.812  -1.990  1.00  0.00           H  
HETATM   64  H   UNL     1       2.310   5.804  -1.414  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.202   6.614  -0.723  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.084   3.629   0.014  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.927   5.376   0.318  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.566   2.722   2.601  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.058   2.592   3.563  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.036   2.030   1.874  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.933   4.047   3.187  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.723   5.926   0.983  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.817   1.676   2.238  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.166   1.224  -0.527  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.772   1.299   0.235  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.668  -2.970   0.908  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.342  -5.197  -0.262  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.949  -5.121   0.501  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.288  -9.277  -2.169  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.368  -9.666  -0.809  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.990  -8.757  -2.207  1.00  0.00           H  
HETATM   82  H   UNL     1       5.530   0.055   1.630  1.00  0.00           H  
HETATM   83  H   UNL     1       2.777  -1.424  -0.540  1.00  0.00           H  
HETATM   84  H   UNL     1       7.281  -4.075   3.342  1.00  0.00           H  
HETATM   85  H   UNL     1       4.006  -6.922   1.940  1.00  0.00           H  
HETATM   86  H   UNL     1       2.988  -6.013   0.960  1.00  0.00           H  
HETATM   87  H   UNL     1       5.753  -0.603  -1.361  1.00  0.00           H  
HETATM   88  H   UNL     1      10.246  -2.380  -0.558  1.00  0.00           H  
HETATM   89  H   UNL     1       7.361  -3.250   0.383  1.00  0.00           H  
CONECT    1   21   19    2   20                                       
CONECT    2    1   52   53   54                                       
CONECT    3   24   23   23   21                                       
CONECT    4   25   26   55   56                                       
CONECT    5   28   29   57   58                                       
CONECT    6   46    8    7   59                                       
CONECT    7    6   60                                                 
CONECT    8   34    6    9   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9                                                 
CONECT   11   13   13   14   10                                       
CONECT   11   12                                                      
CONECT   12   11   64                                                 
CONECT   13   11   11                                                 
CONECT   14   15   11                                                 
CONECT   15   17   17   16   18                                       
CONECT   15   14                                                      
CONECT   16   15   65                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19                                                 
CONECT   19   18    1   66   67                                       
CONECT   20    1   68   69   70                                       
CONECT   21    3   22    1   71                                       
CONECT   22   21   72                                                 
CONECT   23    3    3                                                 
CONECT   24   25    3   73                                            
CONECT   25   24    4   74   75                                       
CONECT   26    4   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26    5   76                                            
CONECT   29    5   30   77   78                                       
CONECT   30   29   31                                                 
CONECT   31   33   33   30   32                                       
CONECT   32   31   79   80   81                                       
CONECT   33   31   31                                                 
CONECT   34   35    8                                                 
CONECT   35   36   46   34   82                                       
CONECT   36   40   37   35                                            
CONECT   37   38   38   36   83                                       
CONECT   38   39   37   37                                            
CONECT   39   44   38   40   40                                       
CONECT   40   39   39   41   36                                       
CONECT   41   42   42   40                                            
CONECT   42   43   41   41   84                                       
CONECT   43   44   44   42                                            
CONECT   44   45   43   43   39                                       
CONECT   45   44   85   86                                            
CONECT   46   47   35    6   87                                       
CONECT   47   48   46                                                 
CONECT   48   51   51   50   47                                       
CONECT   48   49                                                      
CONECT   49   48   88                                                 
CONECT   50   48   89                                                 
CONECT   51   48   48                                                 
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   12                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   35                                                      
CONECT   83   37                                                      
CONECT   84   42                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
