COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      88.216  33.568  70.957  1.00  0.00           P  
HETATM    2  O   UNL     1      87.181  33.534  69.902  1.00  0.00           O  
HETATM    3  O   UNL     1      88.492  34.869  71.633  1.00  0.00           O  
HETATM    4  O   UNL     1      89.627  33.143  70.312  1.00  0.00           O  
HETATM    5  C   UNL     1      89.687  32.133  69.250  1.00  0.00           C  
HETATM    6  C   UNL     1      90.674  32.652  68.190  1.00  0.00           C  
HETATM    7  O   UNL     1      90.928  31.575  67.306  1.00  0.00           O  
HETATM    8  C   UNL     1      90.086  33.785  67.345  1.00  0.00           C  
HETATM    9  O   UNL     1      91.082  34.800  67.346  1.00  0.00           O  
HETATM   10  C   UNL     1      89.874  33.103  65.976  1.00  0.00           C  
HETATM   11  O   UNL     1      90.043  33.988  64.890  1.00  0.00           O  
HETATM   12  C   UNL     1      90.982  32.082  65.992  1.00  0.00           C  
HETATM   13  N   UNL     1      90.712  30.910  65.116  1.00  0.00           N  
HETATM   14  C   UNL     1      89.533  30.259  64.974  1.00  0.00           C  
HETATM   15  N   UNL     1      89.695  29.289  64.086  1.00  0.00           N  
HETATM   16  C   UNL     1      90.972  29.295  63.672  1.00  0.00           C  
HETATM   17  C   UNL     1      91.703  28.513  62.760  1.00  0.00           C  
HETATM   18  N   UNL     1      91.132  27.493  62.120  1.00  0.00           N  
HETATM   19  N   UNL     1      93.013  28.774  62.559  1.00  0.00           N  
HETATM   20  C   UNL     1      93.607  29.808  63.209  1.00  0.00           C  
HETATM   21  N   UNL     1      92.943  30.580  64.098  1.00  0.00           N  
HETATM   22  C   UNL     1      91.620  30.354  64.314  1.00  0.00           C  
HETATM   23  N   UNL     1      81.728  38.182  77.538  1.00  0.00           N  
HETATM   24  C   UNL     1      82.469  38.994  78.353  1.00  0.00           C  
HETATM   25  O   UNL     1      82.839  38.576  79.459  1.00  0.00           O  
HETATM   26  N   UNL     1      82.717  40.272  77.853  1.00  0.00           N  
HETATM   27  C   UNL     1      82.130  40.560  76.566  1.00  0.00           C  
HETATM   28  O   UNL     1      82.396  41.641  76.075  1.00  0.00           O  
HETATM   29  C   UNL     1      80.679  39.973  76.290  1.00  0.00           C  
HETATM   30  N   UNL     1      79.949  40.196  75.022  1.00  0.00           N  
HETATM   31  C   UNL     1      80.457  39.707  73.829  1.00  0.00           C  
HETATM   32  C   UNL     1      79.975  40.210  72.608  1.00  0.00           C  
HETATM   33  C   UNL     1      80.455  39.693  71.397  1.00  0.00           C  
HETATM   34  C   UNL     1      79.896  40.281  70.099  1.00  0.00           C  
HETATM   35  C   UNL     1      81.432  38.656  71.417  1.00  0.00           C  
HETATM   36  C   UNL     1      82.025  38.032  70.119  1.00  0.00           C  
HETATM   37  C   UNL     1      81.900  38.158  72.650  1.00  0.00           C  
HETATM   38  C   UNL     1      81.408  38.658  73.869  1.00  0.00           C  
HETATM   39  N   UNL     1      81.926  38.190  75.043  1.00  0.00           N  
HETATM   40  C   UNL     1      81.331  38.663  76.305  1.00  0.00           C  
HETATM   41  C   UNL     1      82.255  36.772  75.121  1.00  0.00           C  
HETATM   42  C   UNL     1      83.819  36.658  75.264  1.00  0.00           C  
HETATM   43  O   UNL     1      84.477  37.659  74.456  1.00  0.00           O  
HETATM   44  C   UNL     1      84.253  35.266  74.801  1.00  0.00           C  
HETATM   45  O   UNL     1      83.589  34.325  75.606  1.00  0.00           O  
HETATM   46  C   UNL     1      85.792  35.027  74.841  1.00  0.00           C  
HETATM   47  O   UNL     1      86.430  36.014  73.997  1.00  0.00           O  
HETATM   48  C   UNL     1      86.094  33.643  74.279  1.00  0.00           C  
HETATM   49  O   UNL     1      87.553  33.478  74.234  1.00  0.00           O  
HETATM   50  P   UNL     1      88.243  32.180  73.559  1.00  0.00           P  
HETATM   51  O   UNL     1      89.720  32.300  73.782  1.00  0.00           O  
HETATM   52  O   UNL     1      87.542  30.971  73.965  1.00  0.00           O  
HETATM   53  O   UNL     1      87.874  32.342  71.965  1.00  0.00           O  
HETATM   54  H   UNL     1      88.551  34.733  72.571  1.00  0.00           H  
HETATM   55  H   UNL     1      90.035  31.172  69.657  1.00  0.00           H  
HETATM   56  H   UNL     1      88.692  31.968  68.811  1.00  0.00           H  
HETATM   57  H   UNL     1      91.569  33.030  68.705  1.00  0.00           H  
HETATM   58  H   UNL     1      89.146  34.250  67.676  1.00  0.00           H  
HETATM   59  H   UNL     1      91.924  32.545  65.664  1.00  0.00           H  
HETATM   60  H   UNL     1      91.304  35.026  68.242  1.00  0.00           H  
HETATM   61  H   UNL     1      88.858  32.702  65.845  1.00  0.00           H  
HETATM   62  H   UNL     1      90.081  34.881  65.212  1.00  0.00           H  
HETATM   63  H   UNL     1      88.616  30.491  65.496  1.00  0.00           H  
HETATM   64  H   UNL     1      90.989  27.739  61.161  1.00  0.00           H  
HETATM   65  H   UNL     1      91.727  26.691  62.173  1.00  0.00           H  
HETATM   66  H   UNL     1      94.647  30.021  63.008  1.00  0.00           H  
HETATM   67  H   UNL     1      81.479  37.258  77.829  1.00  0.00           H  
HETATM   68  H   UNL     1      80.524  37.920  76.221  1.00  0.00           H  
HETATM   69  H   UNL     1      83.265  40.944  78.352  1.00  0.00           H  
HETATM   70  H   UNL     1      79.857  40.329  76.929  1.00  0.00           H  
HETATM   71  H   UNL     1      79.054  39.764  75.139  1.00  0.00           H  
HETATM   72  H   UNL     1      79.234  40.996  72.603  1.00  0.00           H  
HETATM   73  H   UNL     1      79.762  41.367  70.215  1.00  0.00           H  
HETATM   74  H   UNL     1      80.598  40.085  69.275  1.00  0.00           H  
HETATM   75  H   UNL     1      78.926  39.814  69.873  1.00  0.00           H  
HETATM   76  H   UNL     1      82.165  38.819  69.364  1.00  0.00           H  
HETATM   77  H   UNL     1      82.995  37.566  70.346  1.00  0.00           H  
HETATM   78  H   UNL     1      81.334  37.270  69.730  1.00  0.00           H  
HETATM   79  H   UNL     1      82.649  37.380  72.659  1.00  0.00           H  
HETATM   80  H   UNL     1      81.760  36.315  75.991  1.00  0.00           H  
HETATM   81  H   UNL     1      81.909  36.244  74.220  1.00  0.00           H  
HETATM   82  H   UNL     1      84.100  36.818  76.316  1.00  0.00           H  
HETATM   83  H   UNL     1      84.621  38.441  74.976  1.00  0.00           H  
HETATM   84  H   UNL     1      83.980  35.164  73.740  1.00  0.00           H  
HETATM   85  H   UNL     1      83.439  33.530  75.107  1.00  0.00           H  
HETATM   86  H   UNL     1      86.161  35.104  75.875  1.00  0.00           H  
HETATM   87  H   UNL     1      86.570  36.812  74.493  1.00  0.00           H  
HETATM   88  H   UNL     1      85.649  32.871  74.924  1.00  0.00           H  
HETATM   89  H   UNL     1      85.668  33.541  73.270  1.00  0.00           H  
HETATM   90  H   UNL     1      90.166  32.325  72.944  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   53                                                      
CONECT    2    1    1                                                 
CONECT    3    1   54                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   55   56                                       
CONECT    6    5    7    8   57                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   58                                       
CONECT    9    8   60                                                 
CONECT   10    8   11   12   61                                       
CONECT   11   10   62                                                 
CONECT   12    7   10   13   59                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   63                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   64   65                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   66                                       
CONECT   21   20   22   22                                            
CONECT   22   13   16   21   21                                       
CONECT   23   24   40   67                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   69                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   40   70                                       
CONECT   30   29   31   71                                            
CONECT   31   30   32   38   38                                       
CONECT   32   31   33   33   72                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   73   74   75                                       
CONECT   35   33   36   37   37                                       
CONECT   36   35   76   77   78                                       
CONECT   37   35   35   38   79                                       
CONECT   38   31   31   37   39                                       
CONECT   39   38   40   41                                            
CONECT   40   23   29   39   68                                       
CONECT   41   39   42   80   81                                       
CONECT   42   41   43   44   82                                       
CONECT   43   42   83                                                 
CONECT   44   42   45   46   84                                       
CONECT   45   44   85                                                 
CONECT   46   44   47   48   86                                       
CONECT   47   46   87                                                 
CONECT   48   46   49   88   89                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   52   52                                       
CONECT   50   53                                                      
CONECT   51   50   90                                                 
CONECT   52   50   50                                                 
CONECT   53    1   50                                                 
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59   12                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   14                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   40                                                      
CONECT   69   26                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   48                                                      
CONECT   90   51                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
