COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.117   1.166  -0.785  1.00  0.00           N  
HETATM    2  C   UNL     1       6.285   1.473   0.514  1.00  0.00           C  
HETATM    3  N   UNL     1       6.797   2.662   0.884  1.00  0.00           N  
HETATM    4  C   UNL     1       7.153   3.568  -0.049  1.00  0.00           C  
HETATM    5  C   UNL     1       6.982   3.257  -1.420  1.00  0.00           C  
HETATM    6  C   UNL     1       6.466   2.057  -1.762  1.00  0.00           C  
HETATM    7  O   UNL     1       5.968   0.666   1.367  1.00  0.00           O  
HETATM    8  O   UNL     1       7.615   4.644   0.284  1.00  0.00           O  
HETATM    9  C   UNL     1       5.563  -0.139  -1.156  1.00  0.00           C  
HETATM   10  C   UNL     1       6.484  -1.276  -0.661  1.00  0.00           C  
HETATM   11  O   UNL     1       7.325  -1.736  -1.721  1.00  0.00           O  
HETATM   12  C   UNL     1       5.505  -2.388  -0.223  1.00  0.00           C  
HETATM   13  C   UNL     1       4.109  -1.792  -0.506  1.00  0.00           C  
HETATM   14  O   UNL     1       4.306  -0.361  -0.480  1.00  0.00           O  
HETATM   15  O   UNL     1       5.712  -3.570  -1.000  1.00  0.00           O  
HETATM   16  C   UNL     1       3.120  -2.213   0.583  1.00  0.00           C  
HETATM   17  O   UNL     1       1.811  -1.749   0.243  1.00  0.00           O  
HETATM   18  P   UNL     1       0.520  -2.014   1.168  1.00  0.00           P  
HETATM   19  O   UNL     1       0.381  -3.466   1.417  1.00  0.00           O  
HETATM   20  O   UNL     1       0.697  -1.243   2.570  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.797  -1.469   0.419  1.00  0.00           O  
HETATM   22  P   UNL     1      -2.377  -1.687   0.635  1.00  0.00           P  
HETATM   23  O   UNL     1      -2.794  -3.151   0.109  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.699  -1.570   2.075  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.191  -0.569  -0.190  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.611  -0.430  -0.119  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.138   0.116  -1.449  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.599   0.208  -1.397  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.353  -0.871  -1.690  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.821  -1.916  -1.997  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.856  -0.776  -1.636  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.546   1.508  -1.690  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.089   2.056  -2.893  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.902   2.414  -0.508  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.294   3.695  -0.687  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.385   1.779   0.786  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.950   0.475   0.933  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.784   2.635   1.960  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.285   3.875   2.086  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.551   2.206   2.788  1.00  0.00           O  
HETATM   41  H   UNL     1       6.911   2.867   1.825  1.00  0.00           H  
HETATM   42  H   UNL     1       7.260   3.970  -2.182  1.00  0.00           H  
HETATM   43  H   UNL     1       6.328   1.803  -2.803  1.00  0.00           H  
HETATM   44  H   UNL     1       5.429  -0.199  -2.236  1.00  0.00           H  
HETATM   45  H   UNL     1       7.084  -0.940   0.185  1.00  0.00           H  
HETATM   46  H   UNL     1       7.881  -2.490  -1.482  1.00  0.00           H  
HETATM   47  H   UNL     1       5.622  -2.603   0.839  1.00  0.00           H  
HETATM   48  H   UNL     1       3.751  -2.110  -1.485  1.00  0.00           H  
HETATM   49  H   UNL     1       6.595  -3.953  -0.907  1.00  0.00           H  
HETATM   50  H   UNL     1       3.111  -3.299   0.665  1.00  0.00           H  
HETATM   51  H   UNL     1       3.423  -1.779   1.536  1.00  0.00           H  
HETATM   52  H   UNL     1       0.794  -0.285   2.483  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.611  -3.299  -0.829  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.062  -1.403   0.078  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.843  -0.551  -2.259  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.024   1.044  -1.151  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.198  -0.017  -2.339  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.290  -1.740  -1.903  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.167  -0.504  -0.628  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.462   1.433  -1.780  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.757   2.939  -3.108  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.985   2.530  -0.451  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.478   4.321   0.026  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.299   1.702   0.744  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.570   4.387   2.856  1.00  0.00           H  
CONECT    1    2    9    6                                            
CONECT    2    7    7    3    1                                       
CONECT    3    2    4   41                                            
CONECT    4    3    8    8    5                                       
CONECT    5    4    6    6   42                                       
CONECT    6    1    5    5   43                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9   10    1   14   44                                       
CONECT   10   11   12    9   45                                       
CONECT   11   10   46                                                 
CONECT   12   15   10   13   47                                       
CONECT   13   12   14   16   48                                       
CONECT   14    9   13                                                 
CONECT   15   12   49                                                 
CONECT   16   13   17   50   51                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   21                                       
CONECT   18   20                                                      
CONECT   19   18   18                                                 
CONECT   20   18   52                                                 
CONECT   21   18   22                                                 
CONECT   22   21   24   24   23                                       
CONECT   22   25                                                      
CONECT   23   22   53                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   37   54                                       
CONECT   27   26   28   32   55                                       
CONECT   28   27   29   56                                            
CONECT   29   30   30   28   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   57   58   59                                       
CONECT   32   27   33   34   60                                       
CONECT   33   32   61                                                 
CONECT   34   32   36   35   62                                       
CONECT   35   34   63                                                 
CONECT   36   37   34   38   64                                       
CONECT   37   26   36                                                 
CONECT   38   36   40   40   39                                       
CONECT   39   38   65                                                 
CONECT   40   38   38                                                 
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   39                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
