COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.309  -2.748   2.172  1.00  0.00           O  
HETATM    2  P   UNL     1      -9.256  -1.743   1.086  1.00  0.00           P  
HETATM    3  O   UNL     1     -10.545  -1.911   0.136  1.00  0.00           O  
HETATM    4  O   UNL     1      -9.249  -0.264   1.724  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.917  -1.960   0.219  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.610  -1.979   0.796  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.869  -3.284   0.418  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.793  -4.298   0.019  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.998  -2.827  -0.780  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.827  -3.694  -0.927  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.779  -4.885  -1.606  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.656  -5.609  -2.295  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.298  -6.748  -2.849  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.071  -7.228  -2.754  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.126  -6.574  -2.086  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.844  -7.085  -1.991  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.460  -5.352  -1.476  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.784  -4.440  -0.738  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.583  -3.463  -0.419  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.597  -1.489  -0.415  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.739  -0.860   0.193  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.280   0.095   1.297  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.571   1.191   0.715  1.00  0.00           O  
HETATM   24  P   UNL     1      -3.944   2.391   1.585  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.043   1.832   2.618  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.130   3.215   2.296  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.109   3.374   0.621  1.00  0.00           O  
HETATM   28  P   UNL     1      -1.953   4.467   0.868  1.00  0.00           P  
HETATM   29  O   UNL     1      -0.939   3.912   1.792  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.598   5.794   1.513  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.255   4.836  -0.535  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.122   5.701  -0.637  1.00  0.00           C  
HETATM   33  C   UNL     1       0.285   5.837  -2.105  1.00  0.00           C  
HETATM   34  C   UNL     1       0.643   4.459  -2.666  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.879   6.426  -2.905  1.00  0.00           C  
HETATM   36  C   UNL     1       1.498   6.763  -2.214  1.00  0.00           C  
HETATM   37  O   UNL     1       1.127   8.084  -1.816  1.00  0.00           O  
HETATM   38  C   UNL     1       2.598   6.258  -1.316  1.00  0.00           C  
HETATM   39  O   UNL     1       2.920   6.894  -0.335  1.00  0.00           O  
HETATM   40  N   UNL     1       3.223   5.099  -1.602  1.00  0.00           N  
HETATM   41  C   UNL     1       4.224   4.559  -0.679  1.00  0.00           C  
HETATM   42  C   UNL     1       4.776   3.245  -1.237  1.00  0.00           C  
HETATM   43  C   UNL     1       5.806   2.690  -0.287  1.00  0.00           C  
HETATM   44  O   UNL     1       6.071   3.285   0.736  1.00  0.00           O  
HETATM   45  N   UNL     1       6.431   1.531  -0.573  1.00  0.00           N  
HETATM   46  C   UNL     1       7.432   0.990   0.350  1.00  0.00           C  
HETATM   47  C   UNL     1       7.984  -0.323  -0.207  1.00  0.00           C  
HETATM   48  N   UNL     1       8.985  -0.863   0.716  1.00  0.00           N  
HETATM   49  C   UNL     1       9.610  -2.022   0.430  1.00  0.00           C  
HETATM   50  O   UNL     1       9.344  -2.618  -0.592  1.00  0.00           O  
HETATM   51  C   UNL     1      10.639  -2.578   1.380  1.00  0.00           C  
HETATM   52  C   UNL     1      11.970  -1.852   1.171  1.00  0.00           C  
HETATM   53  S   UNL     1      10.860  -4.350   1.063  1.00  0.00           S  
HETATM   54  O   UNL     1      11.480  -4.558  -0.199  1.00  0.00           O  
HETATM   55  O   UNL     1      11.911  -4.789   2.073  1.00  0.00           O  
HETATM   56  O   UNL     1       9.694  -5.073   1.434  1.00  0.00           O  
HETATM   57  H   UNL     1     -11.389  -1.793   0.593  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.214   0.446   1.069  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.671  -1.872   1.880  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.245  -3.630   1.242  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.376  -5.135  -0.228  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.585  -2.817  -1.699  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.035  -7.311  -3.402  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.625  -7.929  -2.416  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.163  -6.599  -1.500  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.303  -2.598   0.163  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.306  -0.314  -0.561  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.149   0.470   1.837  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.625  -0.436   1.987  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.760   3.610   1.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.272   6.212   0.960  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.377   6.682  -0.238  1.00  0.00           H  
HETATM   73  H   UNL     1       0.707   5.281  -0.067  1.00  0.00           H  
HETATM   74  H   UNL     1       1.041   4.569  -3.674  1.00  0.00           H  
HETATM   75  H   UNL     1       1.393   3.991  -2.028  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.250   3.835  -2.694  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.761   5.799  -2.778  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.094   7.432  -2.545  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.611   6.467  -3.960  1.00  0.00           H  
HETATM   80  H   UNL     1       1.851   6.780  -3.246  1.00  0.00           H  
HETATM   81  H   UNL     1       0.803   8.144  -0.907  1.00  0.00           H  
HETATM   82  H   UNL     1       3.010   4.622  -2.420  1.00  0.00           H  
HETATM   83  H   UNL     1       5.037   5.275  -0.565  1.00  0.00           H  
HETATM   84  H   UNL     1       3.762   4.376   0.291  1.00  0.00           H  
HETATM   85  H   UNL     1       3.963   2.529  -1.351  1.00  0.00           H  
HETATM   86  H   UNL     1       5.238   3.428  -2.207  1.00  0.00           H  
HETATM   87  H   UNL     1       6.218   1.054  -1.391  1.00  0.00           H  
HETATM   88  H   UNL     1       8.245   1.707   0.465  1.00  0.00           H  
HETATM   89  H   UNL     1       6.970   0.808   1.321  1.00  0.00           H  
HETATM   90  H   UNL     1       7.170  -1.040  -0.321  1.00  0.00           H  
HETATM   91  H   UNL     1       8.446  -0.140  -1.177  1.00  0.00           H  
HETATM   92  H   UNL     1       9.197  -0.387   1.534  1.00  0.00           H  
HETATM   93  H   UNL     1      10.303  -2.432   2.406  1.00  0.00           H  
HETATM   94  H   UNL     1      12.715  -2.254   1.858  1.00  0.00           H  
HETATM   95  H   UNL     1      12.307  -1.999   0.145  1.00  0.00           H  
HETATM   96  H   UNL     1      11.837  -0.788   1.362  1.00  0.00           H  
HETATM   97  H   UNL     1      12.137  -5.728   2.024  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    2    4                                                      
CONECT    3    2   57                                                 
CONECT    4    2   58                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   21   59                                       
CONECT    7    8    6    9   60                                       
CONECT    8    7   61                                                 
CONECT    9    7   10   20   62                                       
CONECT   10   11    9   19                                            
CONECT   11   12   10   17   17                                       
CONECT   12   13   13   11                                            
CONECT   13   12   12   14   63                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   17   16                                       
CONECT   16   15   64   65                                            
CONECT   17   11   11   15   18                                       
CONECT   18   17   19   19                                            
CONECT   19   10   18   18   66                                       
CONECT   20    9   21                                                 
CONECT   21    6   20   22   67                                       
CONECT   22   21   23   68   69                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   70                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   31                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   71                                                 
CONECT   31   28   32                                                 
CONECT   32   33   31   72   73                                       
CONECT   33   36   34   35   32                                       
CONECT   34   33   74   75   76                                       
CONECT   35   33   77   78   79                                       
CONECT   36   37   38   33   80                                       
CONECT   37   36   81                                                 
CONECT   38   40   39   39   36                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   82                                            
CONECT   41   40   42   83   84                                       
CONECT   42   41   43   85   86                                       
CONECT   43   44   44   45   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   43   87                                            
CONECT   46   47   45   88   89                                       
CONECT   47   48   46   90   91                                       
CONECT   48   49   47   92                                            
CONECT   49   51   48   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   52   53   49   93                                       
CONECT   52   51   94   95   96                                       
CONECT   53   54   54   51   56                                       
CONECT   53   56   55                                                 
CONECT   54   53   53                                                 
CONECT   55   53   97                                                 
CONECT   56   53   53                                                 
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   26                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   51                                                      
CONECT   94   52                                                      
CONECT   95   52                                                      
CONECT   96   52                                                      
CONECT   97   55                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
