COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.796  -6.569  -0.968  1.00  0.00           O  
HETATM    2  P   UNL     1       7.804  -5.411  -1.888  1.00  0.00           P  
HETATM    3  O   UNL     1       9.322  -5.053  -2.287  1.00  0.00           O  
HETATM    4  O   UNL     1       6.971  -5.775  -3.217  1.00  0.00           O  
HETATM    5  O   UNL     1       7.127  -4.143  -1.161  1.00  0.00           O  
HETATM    6  P   UNL     1       5.854  -3.958  -0.193  1.00  0.00           P  
HETATM    7  O   UNL     1       4.501  -4.070  -1.058  1.00  0.00           O  
HETATM    8  O   UNL     1       5.865  -5.013   0.844  1.00  0.00           O  
HETATM    9  O   UNL     1       5.922  -2.512   0.511  1.00  0.00           O  
HETATM   10  P   UNL     1       5.246  -1.875   1.827  1.00  0.00           P  
HETATM   11  O   UNL     1       3.843  -2.335   1.932  1.00  0.00           O  
HETATM   12  O   UNL     1       6.064  -2.346   3.131  1.00  0.00           O  
HETATM   13  O   UNL     1       5.278  -0.269   1.724  1.00  0.00           O  
HETATM   14  C   UNL     1       4.661   0.585   2.688  1.00  0.00           C  
HETATM   15  C   UNL     1       4.879   2.046   2.289  1.00  0.00           C  
HETATM   16  C   UNL     1       4.329   2.990   3.382  1.00  0.00           C  
HETATM   17  O   UNL     1       5.385   3.441   4.232  1.00  0.00           O  
HETATM   18  C   UNL     1       3.729   4.172   2.589  1.00  0.00           C  
HETATM   19  O   UNL     1       4.114   2.365   1.107  1.00  0.00           O  
HETATM   20  C   UNL     1       3.987   3.803   1.111  1.00  0.00           C  
HETATM   21  N   UNL     1       2.857   4.219   0.277  1.00  0.00           N  
HETATM   22  C   UNL     1       2.695   5.471  -0.253  1.00  0.00           C  
HETATM   23  N   UNL     1       3.406   6.597  -0.204  1.00  0.00           N  
HETATM   24  C   UNL     1       2.994   7.679  -0.829  1.00  0.00           C  
HETATM   25  N   UNL     1       1.874   7.716  -1.528  1.00  0.00           N  
HETATM   26  C   UNL     1       1.098   6.642  -1.635  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.075   6.684  -2.368  1.00  0.00           N  
HETATM   28  C   UNL     1       1.496   5.466  -0.986  1.00  0.00           C  
HETATM   29  C   UNL     1       1.818   3.410  -0.089  1.00  0.00           C  
HETATM   30  C   UNL     1       0.944   4.110  -0.859  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.270   3.621  -1.439  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.266   3.219  -1.914  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.514   2.716  -2.510  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.452   2.237  -1.401  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.750   1.714  -2.020  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.648   1.255  -0.958  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.858   0.750  -1.270  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.203   0.676  -2.430  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.782   0.277  -0.177  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.079  -0.245  -0.797  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.017  -0.725   0.313  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.315  -1.248  -0.307  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.253  -1.727   0.803  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.550  -2.250   0.183  1.00  0.00           C  
HETATM   45  C   UNL     1     -14.488  -2.730   1.293  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.786  -3.253   0.673  1.00  0.00           C  
HETATM   47  C   UNL     1     -16.724  -3.732   1.783  1.00  0.00           C  
HETATM   48  O   UNL     1     -17.936  -4.220   1.204  1.00  0.00           O  
HETATM   49  H   UNL     1       9.792  -5.772  -2.730  1.00  0.00           H  
HETATM   50  H   UNL     1       6.935  -5.060  -3.867  1.00  0.00           H  
HETATM   51  H   UNL     1       4.426  -3.407  -1.759  1.00  0.00           H  
HETATM   52  H   UNL     1       6.994  -2.078   3.130  1.00  0.00           H  
HETATM   53  H   UNL     1       3.592   0.375   2.728  1.00  0.00           H  
HETATM   54  H   UNL     1       5.102   0.406   3.668  1.00  0.00           H  
HETATM   55  H   UNL     1       5.939   2.238   2.121  1.00  0.00           H  
HETATM   56  H   UNL     1       3.556   2.489   3.965  1.00  0.00           H  
HETATM   57  H   UNL     1       5.095   4.037   4.936  1.00  0.00           H  
HETATM   58  H   UNL     1       2.659   4.256   2.780  1.00  0.00           H  
HETATM   59  H   UNL     1       4.238   5.102   2.845  1.00  0.00           H  
HETATM   60  H   UNL     1       4.910   4.266   0.761  1.00  0.00           H  
HETATM   61  H   UNL     1       3.596   8.574  -0.767  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.340   7.505  -2.812  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.632   5.894  -2.438  1.00  0.00           H  
HETATM   64  H   UNL     1       1.707   2.373   0.193  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.996   3.516  -3.073  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.289   1.886  -3.179  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.970   1.437  -0.838  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.678   3.067  -0.732  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.232   2.513  -2.583  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.524   0.884  -2.689  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.372   1.314  -0.030  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.300  -0.522   0.386  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.007   1.108   0.492  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.561   0.554  -1.359  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.854  -1.076  -1.466  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.535  -1.525   0.876  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.243   0.105   0.982  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.797  -0.448  -0.869  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.089  -2.078  -0.976  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.771  -2.527   1.366  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.479  -0.897   1.472  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.032  -1.451  -0.380  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.325  -3.080  -0.486  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.007  -3.529   1.856  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.714  -1.900   1.962  1.00  0.00           H  
HETATM   86  H   UNL     1     -16.268  -2.453   0.110  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.560  -4.083   0.004  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.242  -4.532   2.345  1.00  0.00           H  
HETATM   89  H   UNL     1     -16.949  -2.902   2.452  1.00  0.00           H  
HETATM   90  H   UNL     1     -18.579  -4.542   1.851  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   49                                                 
CONECT    4    2   50                                                 
CONECT    5    2    6                                                 
CONECT    6    8    8    5    7                                       
CONECT    6    9                                                      
CONECT    7    6   51                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10                                                 
CONECT   10   11   11    9   13                                       
CONECT   10   12                                                      
CONECT   11   10   10                                                 
CONECT   12   10   52                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   19   55                                       
CONECT   16   17   15   18   56                                       
CONECT   17   16   57                                                 
CONECT   18   16   20   58   59                                       
CONECT   19   15   20                                                 
CONECT   20   19   18   21   60                                       
CONECT   21   20   29   22                                            
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   25   61                                       
CONECT   25   24   24   26                                            
CONECT   26   28   28   25   27                                       
CONECT   27   26   62   63                                            
CONECT   28   30   22   26   26                                       
CONECT   29   21   30   30   64                                       
CONECT   30   29   29   31   28                                       
CONECT   31   30   32   32   32                                       
CONECT   32   31   31   31   33                                       
CONECT   33   34   32   65   66                                       
CONECT   34   35   33   67   68                                       
CONECT   35   36   34   69   70                                       
CONECT   36   37   35   71                                            
CONECT   37   39   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   72   73                                       
CONECT   40   41   39   74   75                                       
CONECT   41   42   40   76   77                                       
CONECT   42   43   41   78   79                                       
CONECT   43   44   42   80   81                                       
CONECT   44   45   43   82   83                                       
CONECT   45   46   44   84   85                                       
CONECT   46   47   45   86   87                                       
CONECT   47   48   46   88   89                                       
CONECT   48   47   90                                                 
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
