COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -2.495   1.335   0.656  1.00  0.00           P  
HETATM    2  O   UNL     1      -2.126   1.836   1.999  1.00  0.00           O  
HETATM    3  C   UNL     1       4.801  -0.229  -1.406  1.00  0.00           C  
HETATM    4  C   UNL     1       5.939   0.468  -1.200  1.00  0.00           C  
HETATM    5  C   UNL     1       6.166   1.056   0.068  1.00  0.00           C  
HETATM    6  N   UNL     1       5.244   0.909   1.041  1.00  0.00           N  
HETATM    7  C   UNL     1       4.119   0.208   0.808  1.00  0.00           C  
HETATM    8  N   UNL     1       3.891  -0.355  -0.392  1.00  0.00           N  
HETATM    9  C   UNL     1       2.654  -1.107  -0.618  1.00  0.00           C  
HETATM   10  C   UNL     1       2.585  -2.326   0.329  1.00  0.00           C  
HETATM   11  C   UNL     1       1.091  -2.418   0.713  1.00  0.00           C  
HETATM   12  O   UNL     1       0.540  -3.665   0.283  1.00  0.00           O  
HETATM   13  O   UNL     1       1.506  -0.303  -0.268  1.00  0.00           O  
HETATM   14  C   UNL     1       0.434  -1.245  -0.047  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.667  -0.609   0.803  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.290   0.445   0.066  1.00  0.00           O  
HETATM   17  C   UNL     1       6.953   0.618  -2.304  1.00  0.00           C  
HETATM   18  O   UNL     1       7.185   1.689   0.278  1.00  0.00           O  
HETATM   19  O   UNL     1       3.296   0.083   1.695  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.884   0.392   0.772  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.281  -0.124  -0.545  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.124  -1.323  -0.378  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.078   0.895  -1.263  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.432  -1.025  -1.007  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.288  -1.658   1.043  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.709   1.829  -0.321  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.102   0.113  -2.006  1.00  0.00           C  
HETATM   28  H   UNL     1       4.608  -0.680  -2.368  1.00  0.00           H  
HETATM   29  H   UNL     1       5.393   1.308   1.912  1.00  0.00           H  
HETATM   30  H   UNL     1       2.590  -1.428  -1.657  1.00  0.00           H  
HETATM   31  H   UNL     1       2.903  -3.230  -0.189  1.00  0.00           H  
HETATM   32  H   UNL     1       3.197  -2.156   1.215  1.00  0.00           H  
HETATM   33  H   UNL     1       0.965  -2.297   1.789  1.00  0.00           H  
HETATM   34  H   UNL     1       0.958  -4.439   0.685  1.00  0.00           H  
HETATM   35  H   UNL     1       0.027  -1.588  -0.999  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.412  -1.364   1.058  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.233  -0.205   1.718  1.00  0.00           H  
HETATM   38  H   UNL     1       6.729   1.513  -2.885  1.00  0.00           H  
HETATM   39  H   UNL     1       7.950   0.706  -1.872  1.00  0.00           H  
HETATM   40  H   UNL     1       6.915  -0.256  -2.954  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.393  -0.375  -1.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.813  -1.899  -1.534  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.149  -0.686  -0.260  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.646  -0.782   1.583  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.010  -2.468   1.145  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.329  -1.972   1.455  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.938   2.334   0.261  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.288   2.567  -0.876  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.368   1.278   0.350  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.985   0.721  -2.207  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.689  -0.290  -2.931  1.00  0.00           H  
HETATM   52  O   UNL     1      -2.772   2.581  -0.325  1.00  0.00           O  
HETATM   53  H   UNL     1      -3.019   2.326  -1.224  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.757  -0.360   1.432  1.00  0.00           H  
CONECT    1    2    2   16   20                                       
CONECT    1   52                                                      
CONECT    2    1    1                                                 
CONECT    3    4    4    8   28                                       
CONECT    4    5   17    3    3                                       
CONECT    5   18   18    6    4                                       
CONECT    6    5    7   29                                            
CONECT    7    6   19   19    8                                       
CONECT    8    7    3    9                                            
CONECT    9    8   13   10   30                                       
CONECT   10    9   11   31   32                                       
CONECT   11   10   14   12   33                                       
CONECT   12   11   34                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   11   35                                       
CONECT   15   16   14   36   37                                       
CONECT   16    1   15                                                 
CONECT   17    4   38   39   40                                       
CONECT   18    5    5                                                 
CONECT   19    7    7                                                 
CONECT   20    1   21   54                                            
CONECT   21   20   23   22   41                                       
CONECT   22   21   24   25                                            
CONECT   23   26   21   27                                            
CONECT   24   27   22   42   43                                       
CONECT   25   22   44   45   46                                       
CONECT   26   23   47   48   49                                       
CONECT   27   23   24   50   51                                       
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52    1   53                                                 
CONECT   53   52                                                      
CONECT   54   20                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
