COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.753  -1.268  -1.989  1.00  0.00           O  
HETATM    2  P   UNL     1      -7.927  -1.245  -0.519  1.00  0.00           P  
HETATM    3  O   UNL     1      -8.191  -2.741   0.014  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.596  -0.657   0.169  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.349  -0.188  -0.092  1.00  0.00           C  
HETATM    6  P   UNL     1     -10.857  -0.854  -0.872  1.00  0.00           P  
HETATM    7  O   UNL     1     -11.093  -2.233  -0.390  1.00  0.00           O  
HETATM    8  O   UNL     1     -12.115   0.073  -0.486  1.00  0.00           O  
HETATM    9  O   UNL     1     -10.672  -0.868  -2.471  1.00  0.00           O  
HETATM   10  O   UNL     1      -9.517  -0.165   1.327  1.00  0.00           O  
HETATM   11  C   UNL     1      -9.099   1.234  -0.599  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.939   1.837   0.151  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.676   1.822  -0.406  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.143   2.410   1.393  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.083   2.966   2.087  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.815   2.952   1.541  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.605   2.380   0.288  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.245   2.367  -0.306  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.175   2.925   0.388  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.035   1.791  -1.557  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.769   1.780  -2.109  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.707   2.338  -1.423  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.906   2.910  -0.172  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.830   3.469   0.520  1.00  0.00           N  
HETATM   25  S   UNL     1       0.604   2.647   0.625  1.00  0.00           S  
HETATM   26  O   UNL     1       0.958   2.286  -0.703  1.00  0.00           O  
HETATM   27  O   UNL     1       1.447   3.415   1.473  1.00  0.00           O  
HETATM   28  C   UNL     1       0.280   1.140   1.480  1.00  0.00           C  
HETATM   29  C   UNL     1       0.036  -0.020   0.769  1.00  0.00           C  
HETATM   30  C   UNL     1       0.275   1.117   2.862  1.00  0.00           C  
HETATM   31  C   UNL     1       0.021  -0.064   3.533  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.229  -1.223   2.822  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.219  -1.201   1.439  1.00  0.00           C  
HETATM   34  S   UNL     1      -0.531  -2.679   0.533  1.00  0.00           S  
HETATM   35  O   UNL     1      -1.385  -3.474   1.343  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.866  -2.277  -0.788  1.00  0.00           O  
HETATM   37  N   UNL     1       0.904  -3.499   0.422  1.00  0.00           N  
HETATM   38  C   UNL     1       1.990  -2.919  -0.238  1.00  0.00           C  
HETATM   39  C   UNL     1       3.251  -2.952   0.338  1.00  0.00           C  
HETATM   40  C   UNL     1       1.809  -2.314  -1.477  1.00  0.00           C  
HETATM   41  C   UNL     1       2.881  -1.740  -2.133  1.00  0.00           C  
HETATM   42  C   UNL     1       4.138  -1.764  -1.562  1.00  0.00           C  
HETATM   43  C   UNL     1       4.330  -2.373  -0.324  1.00  0.00           C  
HETATM   44  C   UNL     1       5.682  -2.405   0.288  1.00  0.00           C  
HETATM   45  C   UNL     1       6.763  -1.826  -0.374  1.00  0.00           C  
HETATM   46  C   UNL     1       5.874  -3.009   1.528  1.00  0.00           C  
HETATM   47  C   UNL     1       7.134  -3.036   2.092  1.00  0.00           C  
HETATM   48  C   UNL     1       8.204  -2.464   1.428  1.00  0.00           C  
HETATM   49  C   UNL     1       8.018  -1.859   0.199  1.00  0.00           C  
HETATM   50  C   UNL     1       9.188  -1.232  -0.516  1.00  0.00           C  
HETATM   51  C   UNL     1       9.315   0.234  -0.099  1.00  0.00           C  
HETATM   52  P   UNL     1      10.730   0.991  -0.963  1.00  0.00           P  
HETATM   53  O   UNL     1      10.461   1.020  -2.418  1.00  0.00           O  
HETATM   54  O   UNL     1      10.945   2.494  -0.427  1.00  0.00           O  
HETATM   55  O   UNL     1      12.058   0.125  -0.680  1.00  0.00           O  
HETATM   56  P   UNL     1       7.787   1.126  -0.538  1.00  0.00           P  
HETATM   57  O   UNL     1       7.572   1.046  -2.000  1.00  0.00           O  
HETATM   58  O   UNL     1       6.537   0.457   0.226  1.00  0.00           O  
HETATM   59  O   UNL     1       7.921   2.669  -0.098  1.00  0.00           O  
HETATM   60  O   UNL     1       9.523   0.311   1.313  1.00  0.00           O  
HETATM   61  H   UNL     1      -7.473  -3.359  -0.179  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.639  -0.612   1.134  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.065   0.971  -0.839  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.438  -1.211  -2.953  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.752   0.178   1.808  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.868   1.205  -1.664  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.990   1.840  -0.437  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.519   1.378  -1.378  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.134   2.424   1.823  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.248   3.412   3.056  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.988   3.386   2.083  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.332   3.369   1.360  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.862   1.353  -2.096  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.608   1.332  -3.079  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.719   2.327  -1.859  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.922   4.339   0.940  1.00  0.00           H  
HETATM   77  H   UNL     1       0.043  -0.002  -0.311  1.00  0.00           H  
HETATM   78  H   UNL     1       0.471   2.022   3.418  1.00  0.00           H  
HETATM   79  H   UNL     1       0.018  -0.083   4.613  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.428  -2.146   3.346  1.00  0.00           H  
HETATM   81  H   UNL     1       0.991  -4.381   0.816  1.00  0.00           H  
HETATM   82  H   UNL     1       3.395  -3.425   1.299  1.00  0.00           H  
HETATM   83  H   UNL     1       0.827  -2.294  -1.927  1.00  0.00           H  
HETATM   84  H   UNL     1       2.735  -1.272  -3.095  1.00  0.00           H  
HETATM   85  H   UNL     1       4.973  -1.314  -2.078  1.00  0.00           H  
HETATM   86  H   UNL     1       6.619  -1.353  -1.334  1.00  0.00           H  
HETATM   87  H   UNL     1       5.039  -3.455   2.048  1.00  0.00           H  
HETATM   88  H   UNL     1       7.284  -3.504   3.054  1.00  0.00           H  
HETATM   89  H   UNL     1       9.188  -2.487   1.873  1.00  0.00           H  
HETATM   90  H   UNL     1      10.101  -1.766  -0.254  1.00  0.00           H  
HETATM   91  H   UNL     1       9.029  -1.291  -1.593  1.00  0.00           H  
HETATM   92  H   UNL     1      11.683   2.959  -0.845  1.00  0.00           H  
HETATM   93  H   UNL     1      12.295   0.064   0.255  1.00  0.00           H  
HETATM   94  H   UNL     1       6.610   0.474   1.190  1.00  0.00           H  
HETATM   95  H   UNL     1       7.142   3.205  -0.302  1.00  0.00           H  
HETATM   96  H   UNL     1      10.320  -0.143   1.619  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   61                                                 
CONECT    4    2   62                                                 
CONECT    5    2    6   10   11                                       
CONECT    6    5    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   63                                                 
CONECT    9    6   64                                                 
CONECT   10    5   65                                                 
CONECT   11    5   12   66   67                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12   17   68                                       
CONECT   14   12   15   15   69                                       
CONECT   15   14   14   16   70                                       
CONECT   16   15   17   17   71                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   23   72                                       
CONECT   20   18   21   21   73                                       
CONECT   21   20   20   22   74                                       
CONECT   22   21   23   23   75                                       
CONECT   23   19   22   22   24                                       
CONECT   24   23   25   76                                            
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   29   30                                       
CONECT   29   28   28   33   77                                       
CONECT   30   28   31   31   78                                       
CONECT   31   30   30   32   79                                       
CONECT   32   31   33   33   80                                       
CONECT   33   29   32   32   34                                       
CONECT   34   33   35   35   36                                       
CONECT   34   36   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   81                                            
CONECT   38   37   39   39   40                                       
CONECT   39   38   38   43   82                                       
CONECT   40   38   41   41   83                                       
CONECT   41   40   40   42   84                                       
CONECT   42   41   43   43   85                                       
CONECT   43   39   42   42   44                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44   49   86                                       
CONECT   46   44   47   47   87                                       
CONECT   47   46   46   48   88                                       
CONECT   48   47   49   49   89                                       
CONECT   49   45   48   48   50                                       
CONECT   50   49   51   90   91                                       
CONECT   51   50   52   56   60                                       
CONECT   52   51   53   53   54                                       
CONECT   52   55                                                      
CONECT   53   52   52                                                 
CONECT   54   52   92                                                 
CONECT   55   52   93                                                 
CONECT   56   51   57   57   58                                       
CONECT   56   59                                                      
CONECT   57   56   56                                                 
CONECT   58   56   94                                                 
CONECT   59   56   95                                                 
CONECT   60   51   96                                                 
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   37                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   50                                                      
CONECT   91   50                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   58                                                      
CONECT   95   59                                                      
CONECT   96   60                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
