COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.272   1.061  -0.422  1.00  0.00           C  
HETATM    2  O   UNL     1       2.865   0.828  -0.335  1.00  0.00           O  
HETATM    3  P   UNL     1       1.772   1.802  -1.003  1.00  0.00           P  
HETATM    4  C   UNL     1       4.943  -0.123  -1.120  1.00  0.00           C  
HETATM    5  O   UNL     1       4.704  -1.316  -0.371  1.00  0.00           O  
HETATM    6  C   UNL     1       6.450   0.127  -1.214  1.00  0.00           C  
HETATM    7  O   UNL     1       7.077  -0.979  -1.866  1.00  0.00           O  
HETATM    8  C   UNL     1       7.029   0.284   0.194  1.00  0.00           C  
HETATM    9  O   UNL     1       8.436   0.517   0.107  1.00  0.00           O  
HETATM   10  P   UNL     1       9.530  -0.457   0.775  1.00  0.00           P  
HETATM   11  C   UNL     1       6.358   1.468   0.893  1.00  0.00           C  
HETATM   12  O   UNL     1       6.899   1.614   2.207  1.00  0.00           O  
HETATM   13  C   UNL     1       4.851   1.218   0.986  1.00  0.00           C  
HETATM   14  O   UNL     1       4.225   2.324   1.638  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.890   2.028  -0.948  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.115   1.286  -0.409  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.372   2.117  -0.675  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.708   2.077  -0.203  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.943   1.466   0.408  1.00  0.00           C  
HETATM   20  O   UNL     1       1.981   3.185  -0.518  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.154   2.348   0.101  1.00  0.00           C  
HETATM   22  O   UNL     1       1.928   1.766  -2.605  1.00  0.00           O  
HETATM   23  C   UNL     1      -9.408   1.728   0.720  1.00  0.00           C  
HETATM   24  O   UNL     1       0.294   1.309  -0.597  1.00  0.00           O  
HETATM   25  C   UNL     1     -10.619   2.610   0.413  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.235   0.001  -1.074  1.00  0.00           O  
HETATM   27  C   UNL     1     -11.873   1.990   1.033  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.519   1.471  -0.061  1.00  0.00           O  
HETATM   29  C   UNL     1     -13.084   2.872   0.726  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.789   3.113  -0.820  1.00  0.00           O  
HETATM   31  C   UNL     1     -14.337   2.251   1.346  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.175  -0.804   0.757  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.796  -0.997  -0.374  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.953  -2.360  -0.999  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.616  -3.307   0.003  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.775  -4.690  -0.631  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.438  -5.637   0.371  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.597  -7.021  -0.263  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.260  -7.968   0.739  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.420  -9.351   0.105  1.00  0.00           C  
HETATM   41  O   UNL     1      11.007   0.036   0.369  1.00  0.00           O  
HETATM   42  O   UNL     1       9.373  -0.421   2.377  1.00  0.00           O  
HETATM   43  O   UNL     1       9.320  -1.840   0.290  1.00  0.00           O  
HETATM   44  H   UNL     1       4.455   1.972  -0.993  1.00  0.00           H  
HETATM   45  H   UNL     1       4.531  -0.234  -2.123  1.00  0.00           H  
HETATM   46  H   UNL     1       5.102  -2.109  -0.757  1.00  0.00           H  
HETATM   47  H   UNL     1       6.633   1.037  -1.785  1.00  0.00           H  
HETATM   48  H   UNL     1       6.758  -1.137  -2.765  1.00  0.00           H  
HETATM   49  H   UNL     1       6.846  -0.626   0.765  1.00  0.00           H  
HETATM   50  H   UNL     1       6.541   2.378   0.321  1.00  0.00           H  
HETATM   51  H   UNL     1       6.518   2.348   2.710  1.00  0.00           H  
HETATM   52  H   UNL     1       4.669   0.308   1.557  1.00  0.00           H  
HETATM   53  H   UNL     1       4.543   2.483   2.537  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.961   2.105  -2.033  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.851   3.027  -0.514  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.003   1.131   0.664  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.246   3.113  -0.252  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.534   2.197  -1.750  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.102   0.472  -0.012  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.814   1.388   1.487  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.995   3.342   0.520  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.283   2.426  -0.979  1.00  0.00           H  
HETATM   63  H   UNL     1       1.803   0.889  -2.992  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.566   0.734   0.301  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.279   1.650   1.800  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.460   3.604   0.832  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.748   2.688  -0.666  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.031   0.996   0.614  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.744   1.912   2.113  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.925   3.866   1.145  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.213   2.950  -0.354  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.201   2.880   1.127  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.496   1.258   0.927  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.209   2.174   2.425  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.575  -2.281  -1.890  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.972  -2.749  -1.273  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.993  -3.386   0.895  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.596  -2.918   0.278  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.397  -4.611  -1.523  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.795  -5.079  -0.905  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.816  -5.716   1.263  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.418  -5.248   0.646  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.220  -6.942  -1.155  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.617  -7.410  -0.537  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.638  -8.047   1.631  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.240  -7.579   1.013  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.042  -9.272  -0.787  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.439  -9.740  -0.169  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.892 -10.026   0.819  1.00  0.00           H  
HETATM   90  H   UNL     1      11.718  -0.506   0.737  1.00  0.00           H  
HETATM   91  H   UNL     1       9.498   0.456   2.764  1.00  0.00           H  
CONECT    1   13    4    2   44                                       
CONECT    2    1    3                                                 
CONECT    3    2   24   20   20                                       
CONECT    3   22                                                      
CONECT    4    1    5    6   45                                       
CONECT    5    4   46                                                 
CONECT    6    4    8    7   47                                       
CONECT    7    6   48                                                 
CONECT    8    6    9   11   49                                       
CONECT    9    8   10                                                 
CONECT   10    9   43   43   41                                       
CONECT   10   42                                                      
CONECT   11    8   12   13   50                                       
CONECT   12   11   51                                                 
CONECT   13    1   11   14   52                                       
CONECT   14   13   53                                                 
CONECT   15   24   16   54   55                                       
CONECT   16   15   26   17   56                                       
CONECT   17   16   28   57   58                                       
CONECT   18   30   30   28   19                                       
CONECT   19   18   21   59   60                                       
CONECT   20    3    3                                                 
CONECT   21   19   23   61   62                                       
CONECT   22    3   63                                                 
CONECT   23   21   25   64   65                                       
CONECT   24    3   15                                                 
CONECT   25   23   27   66   67                                       
CONECT   26   16   33                                                 
CONECT   27   25   29   68   69                                       
CONECT   28   17   18                                                 
CONECT   29   27   31   70   71                                       
CONECT   30   18   18                                                 
CONECT   31   29   72   73   74                                       
CONECT   32   33   33                                                 
CONECT   33   26   32   32   34                                       
CONECT   34   33   35   75   76                                       
CONECT   35   34   36   77   78                                       
CONECT   36   35   37   79   80                                       
CONECT   37   36   38   81   82                                       
CONECT   38   37   39   83   84                                       
CONECT   39   38   40   85   86                                       
CONECT   40   39   87   88   89                                       
CONECT   41   10   90                                                 
CONECT   42   10   91                                                 
CONECT   43   10   10                                                 
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
