COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.946   0.323  -0.609  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.601   1.556   1.328  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.750  -4.229  -2.116  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.680   2.777   1.386  1.00  0.00           C  
HETATM    5  C   UNL     1       1.973  -1.866   0.176  1.00  0.00           C  
HETATM    6  C   UNL     1       3.606  -0.454  -1.126  1.00  0.00           C  
HETATM    7  C   UNL     1       4.200   0.567  -0.154  1.00  0.00           C  
HETATM    8  C   UNL     1       4.601   1.829  -0.921  1.00  0.00           C  
HETATM    9  C   UNL     1       4.065  -2.750  -0.174  1.00  0.00           C  
HETATM   10  C   UNL     1       5.387  -2.962  -0.564  1.00  0.00           C  
HETATM   11  C   UNL     1       6.028  -4.137  -0.230  1.00  0.00           C  
HETATM   12  C   UNL     1       5.367  -5.112   0.494  1.00  0.00           C  
HETATM   13  C   UNL     1       4.056  -4.908   0.886  1.00  0.00           C  
HETATM   14  C   UNL     1       3.411  -3.736   0.554  1.00  0.00           C  
HETATM   15  C   UNL     1       2.014  -3.231   0.829  1.00  0.00           C  
HETATM   16  C   UNL     1       0.973  -4.158   0.197  1.00  0.00           C  
HETATM   17  C   UNL     1       1.776  -3.111   2.336  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.777  -0.622  -1.715  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.372  -1.977  -1.325  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.195  -2.963  -2.480  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.058   1.147  -0.445  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.206   1.284  -1.225  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.189   2.180  -0.859  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.046   2.946   0.282  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.812   0.980   2.730  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.910   2.815   1.062  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.926   1.922   0.700  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.027   0.503   0.404  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.857  -0.135   0.546  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.987   0.173   1.687  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.785  -0.391   1.779  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.363  -1.434   0.775  1.00  0.00           C  
HETATM   33  C   UNL     1       0.950  -1.032   0.155  1.00  0.00           C  
HETATM   34  N   UNL     1       3.222  -1.662  -0.391  1.00  0.00           N  
HETATM   35  O   UNL     1       5.155   2.783  -0.013  1.00  0.00           O  
HETATM   36  O   UNL     1       6.691   4.065  -1.551  1.00  0.00           O  
HETATM   37  O   UNL     1       4.451   5.103  -1.028  1.00  0.00           O  
HETATM   38  P   UNL     1       5.686   4.230  -0.477  1.00  0.00           P  
HETATM   39  H   UNL     1      -5.673  -4.905  -2.803  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.576   3.201   0.387  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.108   3.524   2.055  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.700   2.475   1.757  1.00  0.00           H  
HETATM   43  H   UNL     1       2.727  -0.027  -1.610  1.00  0.00           H  
HETATM   44  H   UNL     1       4.349  -0.710  -1.882  1.00  0.00           H  
HETATM   45  H   UNL     1       3.457   0.823   0.602  1.00  0.00           H  
HETATM   46  H   UNL     1       5.078   0.141   0.330  1.00  0.00           H  
HETATM   47  H   UNL     1       5.344   1.573  -1.677  1.00  0.00           H  
HETATM   48  H   UNL     1       3.722   2.255  -1.405  1.00  0.00           H  
HETATM   49  H   UNL     1       5.909  -2.205  -1.130  1.00  0.00           H  
HETATM   50  H   UNL     1       7.052  -4.296  -0.536  1.00  0.00           H  
HETATM   51  H   UNL     1       5.873  -6.030   0.753  1.00  0.00           H  
HETATM   52  H   UNL     1       3.537  -5.668   1.451  1.00  0.00           H  
HETATM   53  H   UNL     1       1.183  -4.268  -0.867  1.00  0.00           H  
HETATM   54  H   UNL     1       1.017  -5.135   0.679  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.021  -3.732   0.329  1.00  0.00           H  
HETATM   56  H   UNL     1       0.763  -2.750   2.516  1.00  0.00           H  
HETATM   57  H   UNL     1       1.902  -4.087   2.803  1.00  0.00           H  
HETATM   58  H   UNL     1       2.493  -2.409   2.762  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.289  -0.242  -2.599  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.716  -0.740  -1.933  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.859  -2.357  -0.441  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.433  -1.858  -1.107  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.133  -3.082  -2.698  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.707  -2.583  -3.364  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.325   0.689  -2.118  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.076   2.282  -1.468  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.818   3.647   0.565  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.857   0.640   3.130  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.225   1.751   3.381  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.504   0.140   2.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.796   3.412   1.955  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.554  -0.876  -0.179  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.322   0.858   2.452  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.112  -0.102   2.572  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.249  -2.395   1.276  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.122  -1.517  -0.003  1.00  0.00           H  
HETATM   77  H   UNL     1       1.055  -0.061  -0.306  1.00  0.00           H  
HETATM   78  H   UNL     1       3.753   5.252  -0.376  1.00  0.00           H  
HETATM   79  O   UNL     1       6.359   4.983   0.777  1.00  0.00           O  
HETATM   80  H   UNL     1       6.702   5.863   0.570  1.00  0.00           H  
CONECT    1   21   28   18                                            
CONECT    2    4   27   28   25                                       
CONECT    3   20   39                                                 
CONECT    4    2   40   41   42                                       
CONECT    5   33   33   15   34                                       
CONECT    6   34    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7   35   47   48                                       
CONECT    9   14   34   10   10                                       
CONECT   10    9    9   11   49                                       
CONECT   11   12   12   10   50                                       
CONECT   12   13   11   11   51                                       
CONECT   13   14   14   12   52                                       
CONECT   14   15   13   13    9                                       
CONECT   15   16    5   17   14                                       
CONECT   16   15   53   54   55                                       
CONECT   17   15   56   57   58                                       
CONECT   18    1   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20    3   19   63   64                                       
CONECT   21   22   22   27    1                                       
CONECT   22   23   21   21   65                                       
CONECT   23   24   24   22   66                                       
CONECT   24   23   23   26   67                                       
CONECT   25    2   68   69   70                                       
CONECT   26   24   27   27   71                                       
CONECT   27   26   26   21    2                                       
CONECT   28    2    1   29   29                                       
CONECT   29   28   28   30   72                                       
CONECT   30   29   31   31   73                                       
CONECT   31   30   30   32   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32    5    5   77                                       
CONECT   34    5    6    9                                            
CONECT   35    8   38                                                 
CONECT   36   38   38                                                 
CONECT   37   38   78                                                 
CONECT   38   36   36   35   37                                       
CONECT   38   79                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   37                                                      
CONECT   79   38   80                                                 
CONECT   80   79                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
