COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.544  -5.226   1.546  1.00  0.00           N  
HETATM    2  C   UNL     1       7.629  -4.047   2.135  1.00  0.00           C  
HETATM    3  N   UNL     1       6.893  -3.019   1.767  1.00  0.00           N  
HETATM    4  C   UNL     1       6.022  -3.132   0.769  1.00  0.00           C  
HETATM    5  C   UNL     1       5.895  -4.366   0.110  1.00  0.00           C  
HETATM    6  C   UNL     1       6.701  -5.434   0.540  1.00  0.00           C  
HETATM    7  N   UNL     1       6.620  -6.673  -0.071  1.00  0.00           N  
HETATM    8  N   UNL     1       4.953  -4.210  -0.851  1.00  0.00           N  
HETATM    9  C   UNL     1       4.505  -2.989  -0.824  1.00  0.00           C  
HETATM   10  N   UNL     1       5.134  -2.283   0.158  1.00  0.00           N  
HETATM   11  C   UNL     1       4.903  -0.878   0.500  1.00  0.00           C  
HETATM   12  C   UNL     1       5.876   0.033  -0.282  1.00  0.00           C  
HETATM   13  O   UNL     1       6.990   0.393   0.536  1.00  0.00           O  
HETATM   14  C   UNL     1       5.030   1.279  -0.625  1.00  0.00           C  
HETATM   15  O   UNL     1       5.597   2.448  -0.029  1.00  0.00           O  
HETATM   16  P   UNL     1       6.065   3.729  -0.885  1.00  0.00           P  
HETATM   17  O   UNL     1       7.026   3.302  -1.926  1.00  0.00           O  
HETATM   18  O   UNL     1       4.782   4.407  -1.582  1.00  0.00           O  
HETATM   19  O   UNL     1       6.772   4.797   0.091  1.00  0.00           O  
HETATM   20  C   UNL     1       3.646   0.975  -0.010  1.00  0.00           C  
HETATM   21  O   UNL     1       3.587  -0.466   0.071  1.00  0.00           O  
HETATM   22  C   UNL     1       2.532   1.505  -0.915  1.00  0.00           C  
HETATM   23  O   UNL     1       1.268   1.318  -0.275  1.00  0.00           O  
HETATM   24  P   UNL     1      -0.127   1.761  -0.944  1.00  0.00           P  
HETATM   25  O   UNL     1      -0.391   0.884  -2.268  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.068   3.195  -1.306  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.325   1.522   0.105  1.00  0.00           O  
HETATM   28  P   UNL     1      -2.854   2.019   0.190  1.00  0.00           P  
HETATM   29  O   UNL     1      -3.494   1.874  -1.137  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.892   3.565   0.638  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.649   1.128   1.269  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.484   0.264   2.584  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.054   1.254   1.499  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.168  -1.161   2.127  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.726   0.565   3.878  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.988   0.399   2.830  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.267   1.688   3.381  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.727   0.240   1.526  1.00  0.00           C  
HETATM   39  O   UNL     1      -8.262   1.199   1.011  1.00  0.00           O  
HETATM   40  N   UNL     1      -7.793  -0.968   0.932  1.00  0.00           N  
HETATM   41  C   UNL     1      -8.420  -1.103  -0.385  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.363  -2.566  -0.830  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.008  -2.705  -2.184  1.00  0.00           C  
HETATM   44  O   UNL     1      -9.467  -1.730  -2.740  1.00  0.00           O  
HETATM   45  N   UNL     1      -9.073  -3.913  -2.779  1.00  0.00           N  
HETATM   46  C   UNL     1      -9.700  -4.048  -4.096  1.00  0.00           C  
HETATM   47  H   UNL     1       8.327  -3.921   2.949  1.00  0.00           H  
HETATM   48  H   UNL     1       7.182  -7.402   0.235  1.00  0.00           H  
HETATM   49  H   UNL     1       6.001  -6.812  -0.804  1.00  0.00           H  
HETATM   50  H   UNL     1       3.747  -2.592  -1.484  1.00  0.00           H  
HETATM   51  H   UNL     1       5.017  -0.725   1.573  1.00  0.00           H  
HETATM   52  H   UNL     1       6.213  -0.462  -1.193  1.00  0.00           H  
HETATM   53  H   UNL     1       7.522  -0.359   0.830  1.00  0.00           H  
HETATM   54  H   UNL     1       4.951   1.402  -1.705  1.00  0.00           H  
HETATM   55  H   UNL     1       4.110   4.711  -0.958  1.00  0.00           H  
HETATM   56  H   UNL     1       7.080   5.596  -0.357  1.00  0.00           H  
HETATM   57  H   UNL     1       3.568   1.416   0.984  1.00  0.00           H  
HETATM   58  H   UNL     1       2.691   2.567  -1.103  1.00  0.00           H  
HETATM   59  H   UNL     1       2.544   0.963  -1.861  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.442  -0.068  -2.106  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.489   3.734   1.500  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.279   2.270   1.824  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.594   1.040   0.577  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.559  -1.871   2.856  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.632  -1.344   1.158  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.089  -1.285   2.043  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.667   0.353   3.737  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.855   1.616   4.139  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.118  -0.059   4.682  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.313  -0.372   3.528  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.003   2.424   2.812  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.425  -1.747   1.376  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.459  -0.781  -0.328  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.887  -0.483  -1.107  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.323  -2.888  -0.887  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.896  -3.185  -0.108  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.706  -4.693  -2.334  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.740  -3.726  -4.038  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.167  -3.428  -4.817  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.660  -5.090  -4.412  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   47                                       
CONECT    3    2    2    4                                            
CONECT    4    5    5    3   10                                       
CONECT    5    6    8    4    4                                       
CONECT    6    7    1    1    5                                       
CONECT    7    6   48   49                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   50                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   51                                       
CONECT   12   13   11   14   52                                       
CONECT   13   12   53                                                 
CONECT   14   12   15   20   54                                       
CONECT   15   14   16                                                 
CONECT   16   17   17   15   19                                       
CONECT   16   18                                                      
CONECT   17   16   16                                                 
CONECT   18   16   55                                                 
CONECT   19   16   56                                                 
CONECT   20   14   21   22   57                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   58   59                                       
CONECT   23   22   24                                                 
CONECT   24   23   26   26   27                                       
CONECT   24   25                                                      
CONECT   25   24   60                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   61                                                 
CONECT   31   28   33                                                 
CONECT   32   33   36   35   34                                       
CONECT   33   31   32   62   63                                       
CONECT   34   32   64   65   66                                       
CONECT   35   32   67   68   69                                       
CONECT   36   37   32   38   70                                       
CONECT   37   36   71                                                 
CONECT   38   36   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   72                                            
CONECT   41   40   42   73   74                                       
CONECT   42   41   43   75   76                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   77                                            
CONECT   46   45   78   79   80                                       
CONECT   47    2                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
CONECT   79   46                                                      
CONECT   80   46                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
