COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.996  -1.769  -0.375  1.00  0.00           P  
HETATM    2  O   UNL     1       7.206  -0.636  -0.831  1.00  0.00           O  
HETATM    3  O   UNL     1       6.625  -1.796   1.226  1.00  0.00           O  
HETATM    4  O   UNL     1       4.774  -0.635  -0.799  1.00  0.00           O  
HETATM    5  C   UNL     1       4.378   0.221   0.274  1.00  0.00           C  
HETATM    6  C   UNL     1       3.335   1.221  -0.230  1.00  0.00           C  
HETATM    7  O   UNL     1       2.113   0.542  -0.592  1.00  0.00           O  
HETATM    8  C   UNL     1       1.062   1.523  -0.558  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.187   0.899  -0.114  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.301  -0.232   0.637  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.556  -0.499   0.852  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.326   0.442   0.254  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.709   0.667   0.149  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.614  -0.193   0.746  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.000   0.245   0.501  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.736  -0.929  -0.178  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.071  -1.044   0.321  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.888  -2.160   0.235  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.012  -3.213  -0.723  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.456  -1.569   0.230  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.128   1.726  -0.537  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.272   2.553  -1.109  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.968   2.381  -1.037  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.456   1.351  -0.373  1.00  0.00           C  
HETATM   25  C   UNL     1       2.895   2.173   0.911  1.00  0.00           C  
HETATM   26  C   UNL     1       1.489   2.617   0.440  1.00  0.00           C  
HETATM   27  O   UNL     1       3.778   3.293   1.009  1.00  0.00           O  
HETATM   28  H   UNL     1       7.765  -0.930  -1.563  1.00  0.00           H  
HETATM   29  H   UNL     1       6.147  -2.385   1.827  1.00  0.00           H  
HETATM   30  H   UNL     1       3.948  -0.378   1.077  1.00  0.00           H  
HETATM   31  H   UNL     1       5.247   0.761   0.648  1.00  0.00           H  
HETATM   32  H   UNL     1       3.725   1.786  -1.077  1.00  0.00           H  
HETATM   33  H   UNL     1       0.928   1.957  -1.549  1.00  0.00           H  
HETATM   34  H   UNL     1       0.529  -0.821   1.001  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.484   0.490   1.446  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.003   1.116  -0.154  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.741  -0.807  -1.261  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.621  -0.267   0.155  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.163  -2.507   1.231  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.499  -4.003  -0.507  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.057  -1.551  -0.784  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.804  -2.148   0.885  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.655   3.400  -1.657  1.00  0.00           H  
HETATM   44  H   UNL     1       2.838   1.641   1.861  1.00  0.00           H  
HETATM   45  H   UNL     1       1.541   3.586  -0.056  1.00  0.00           H  
HETATM   46  H   UNL     1       0.799   2.655   1.282  1.00  0.00           H  
HETATM   47  H   UNL     1       3.544   3.918   1.709  1.00  0.00           H  
HETATM   48  O   UNL     1       4.785  -2.903   0.082  1.00  0.00           O  
HETATM   49  H   UNL     1       6.502  -2.715  -1.380  1.00  0.00           H  
HETATM   50  H   UNL     1       5.136  -3.744   0.405  1.00  0.00           H  
CONECT    1    3    4    2   48                                       
CONECT    1   49                                                      
CONECT    2    1   28                                                 
CONECT    3    1   29                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   30   31                                       
CONECT    6   25    7    5   32                                       
CONECT    7    8    6                                                 
CONECT    8   26    9    7   33                                       
CONECT    9   10   24    8                                            
CONECT   10   11   11    9   34                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   24                                       
CONECT   13   14   12   12   21                                       
CONECT   14   20   13   15                                            
CONECT   15   14   16   35   36                                       
CONECT   16   18   17   15   37                                       
CONECT   17   16   38                                                 
CONECT   18   19   20   16   39                                       
CONECT   19   18   40                                                 
CONECT   20   18   14   41   42                                       
CONECT   21   13   22   22                                            
CONECT   22   21   21   23   43                                       
CONECT   23   24   24   22                                            
CONECT   24   12    9   23   23                                       
CONECT   25   26   27    6   44                                       
CONECT   26    8   25   45   46                                       
CONECT   27   25   47                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48    1   50                                                 
CONECT   49    1                                                      
CONECT   50   48                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
