COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.272   2.391   1.258  1.00  0.00           O  
HETATM    2  C   UNL     1       5.221   2.715   0.577  1.00  0.00           C  
HETATM    3  C   UNL     1       6.024   3.939   0.936  1.00  0.00           C  
HETATM    4  C   UNL     1       5.435   4.585   2.191  1.00  0.00           C  
HETATM    5  O   UNL     1       4.119   5.065   1.908  1.00  0.00           O  
HETATM    6  C   UNL     1       6.321   5.753   2.628  1.00  0.00           C  
HETATM    7  N   UNL     1       5.562   1.977  -0.498  1.00  0.00           N  
HETATM    8  C   UNL     1       4.786   0.784  -0.844  1.00  0.00           C  
HETATM    9  C   UNL     1       4.938   0.488  -2.339  1.00  0.00           C  
HETATM   10  O   UNL     1       6.323   0.332  -2.656  1.00  0.00           O  
HETATM   11  C   UNL     1       4.188  -0.804  -2.675  1.00  0.00           C  
HETATM   12  C   UNL     1       4.386  -1.138  -4.155  1.00  0.00           C  
HETATM   13  O   UNL     1       4.698  -1.871  -1.872  1.00  0.00           O  
HETATM   14  C   UNL     1       5.303  -0.414  -0.042  1.00  0.00           C  
HETATM   15  O   UNL     1       5.100  -0.179   1.353  1.00  0.00           O  
HETATM   16  C   UNL     1       4.539  -1.671  -0.467  1.00  0.00           C  
HETATM   17  O   UNL     1       3.152  -1.512  -0.161  1.00  0.00           O  
HETATM   18  P   UNL     1       2.187  -2.747   0.204  1.00  0.00           P  
HETATM   19  O   UNL     1       2.668  -3.413   1.589  1.00  0.00           O  
HETATM   20  O   UNL     1       2.248  -3.757  -0.876  1.00  0.00           O  
HETATM   21  O   UNL     1       0.674  -2.219   0.360  1.00  0.00           O  
HETATM   22  P   UNL     1      -0.764  -2.941   0.407  1.00  0.00           P  
HETATM   23  O   UNL     1      -0.694  -4.121   1.298  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.177  -3.412  -1.076  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.865  -1.910   0.969  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.220  -2.282   1.228  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.991  -1.069   1.751  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.425  -1.477   2.156  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.507  -1.683   3.568  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.292  -0.270   1.734  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.280   0.725   1.123  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.168  -0.094   0.700  1.00  0.00           O  
HETATM   33  N   UNL     1      -5.872   1.414  -0.026  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.026   2.773   0.005  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.571   3.409  -1.054  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.748   4.906  -1.038  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.974   2.651  -2.180  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.468   3.202  -3.147  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.805   1.313  -2.171  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.254   0.706  -1.104  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.108  -0.501  -1.110  1.00  0.00           O  
HETATM   42  H   UNL     1       7.058   3.652   1.126  1.00  0.00           H  
HETATM   43  H   UNL     1       5.990   4.651   0.111  1.00  0.00           H  
HETATM   44  H   UNL     1       5.387   3.846   2.992  1.00  0.00           H  
HETATM   45  H   UNL     1       3.684   5.488   2.660  1.00  0.00           H  
HETATM   46  H   UNL     1       7.325   5.387   2.844  1.00  0.00           H  
HETATM   47  H   UNL     1       6.369   6.492   1.827  1.00  0.00           H  
HETATM   48  H   UNL     1       5.902   6.213   3.522  1.00  0.00           H  
HETATM   49  H   UNL     1       6.321   2.236  -1.043  1.00  0.00           H  
HETATM   50  H   UNL     1       3.734   0.953  -0.610  1.00  0.00           H  
HETATM   51  H   UNL     1       4.523   1.313  -2.918  1.00  0.00           H  
HETATM   52  H   UNL     1       6.494   0.143  -3.588  1.00  0.00           H  
HETATM   53  H   UNL     1       3.126  -0.671  -2.471  1.00  0.00           H  
HETATM   54  H   UNL     1       3.853  -2.059  -4.393  1.00  0.00           H  
HETATM   55  H   UNL     1       3.998  -0.324  -4.766  1.00  0.00           H  
HETATM   56  H   UNL     1       5.449  -1.271  -4.358  1.00  0.00           H  
HETATM   57  H   UNL     1       6.367  -0.551  -0.237  1.00  0.00           H  
HETATM   58  H   UNL     1       5.405  -0.899   1.922  1.00  0.00           H  
HETATM   59  H   UNL     1       4.932  -2.534   0.070  1.00  0.00           H  
HETATM   60  H   UNL     1       2.654  -2.807   2.342  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.242  -2.688  -1.714  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.682  -2.637   0.306  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.242  -3.076   1.974  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.469  -0.625   2.599  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.732  -2.376   1.622  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.386  -1.941   3.877  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.029  -0.571   0.988  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.786   0.168   2.601  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.956   1.445   1.874  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.713   3.335   0.873  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.856   5.381  -1.446  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.613   5.176  -1.644  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.902   5.242  -0.013  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.078   0.787  -2.939  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    4    2   42   43                                       
CONECT    4    6    5    3   44                                       
CONECT    5    4   45                                                 
CONECT    6    4   46   47   48                                       
CONECT    7    2    8   49                                            
CONECT    8   14    7    9   50                                       
CONECT    9    8   11   10   51                                       
CONECT   10    9   52                                                 
CONECT   11   13    9   12   53                                       
CONECT   12   11   54   55   56                                       
CONECT   13   16   11                                                 
CONECT   14   15   16    8   57                                       
CONECT   15   14   58                                                 
CONECT   16   17   14   13   59                                       
CONECT   17   18   16                                                 
CONECT   18   20   20   19   21                                       
CONECT   18   17                                                      
CONECT   19   18   60                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   21   25   23   23                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   61                                                 
CONECT   25   26   22                                                 
CONECT   26   27   25   62   63                                       
CONECT   27   32   28   26   64                                       
CONECT   28   30   27   29   65                                       
CONECT   29   28   66                                                 
CONECT   30   31   28   67   68                                       
CONECT   31   33   32   30   69                                       
CONECT   32   31   27                                                 
CONECT   33   40   34   31                                            
CONECT   34   35   35   33   70                                       
CONECT   35   37   36   34   34                                       
CONECT   36   35   71   72   73                                       
CONECT   37   38   38   39   35                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   74                                            
CONECT   40   39   41   41   33                                       
CONECT   41   40   40                                                 
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
