COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.333   1.569  -1.204  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.803  -2.691   0.403  1.00  0.00           O  
HETATM    3  P   UNL     1      -2.157  -1.413   0.778  1.00  0.00           P  
HETATM    4  O   UNL     1      -1.838  -1.417   2.356  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.145  -0.190   0.433  1.00  0.00           O  
HETATM    6  P   UNL     1      -4.717   0.076   0.659  1.00  0.00           P  
HETATM    7  O   UNL     1      -5.471  -1.169   0.394  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.969   0.543   2.179  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.216   1.230  -0.346  1.00  0.00           O  
HETATM   10  P   UNL     1      -6.663   1.737  -0.837  1.00  0.00           P  
HETATM   11  O   UNL     1      -6.516   3.177  -1.543  1.00  0.00           O  
HETATM   12  O   UNL     1      -7.272   0.682  -1.890  1.00  0.00           O  
HETATM   13  O   UNL     1      -7.568   1.849   0.329  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.785  -1.244  -0.047  1.00  0.00           O  
HETATM   15  C   UNL     1       0.256  -2.224  -0.037  1.00  0.00           C  
HETATM   16  C   UNL     1       1.411  -1.750  -0.921  1.00  0.00           C  
HETATM   17  C   UNL     1       2.550  -2.801  -0.939  1.00  0.00           C  
HETATM   18  O   UNL     1       2.316  -3.789  -1.945  1.00  0.00           O  
HETATM   19  C   UNL     1       3.784  -1.935  -1.292  1.00  0.00           C  
HETATM   20  C   UNL     1       3.362  -0.502  -0.911  1.00  0.00           C  
HETATM   21  O   UNL     1       2.040  -0.581  -0.352  1.00  0.00           O  
HETATM   22  N   UNL     1       4.291   0.043   0.082  1.00  0.00           N  
HETATM   23  C   UNL     1       5.486   0.664  -0.179  1.00  0.00           C  
HETATM   24  C   UNL     1       6.021   1.015   1.071  1.00  0.00           C  
HETATM   25  N   UNL     1       5.142   0.598   2.014  1.00  0.00           N  
HETATM   26  C   UNL     1       4.126   0.027   1.435  1.00  0.00           C  
HETATM   27  N   UNL     1       6.172   0.954  -1.280  1.00  0.00           N  
HETATM   28  C   UNL     1       8.072   1.882  -2.480  1.00  0.00           C  
HETATM   29  N   UNL     1       7.872   1.927  -0.053  1.00  0.00           N  
HETATM   30  C   UNL     1       7.261   1.676   1.100  1.00  0.00           C  
HETATM   31  N   UNL     1       7.839   2.046   2.302  1.00  0.00           N  
HETATM   32  H   UNL     1      -1.413  -0.608   2.673  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.504   1.355   2.424  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.351   3.544  -1.864  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.730   0.558  -2.681  1.00  0.00           H  
HETATM   36  H   UNL     1       0.613  -2.364   0.984  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.131  -3.168  -0.419  1.00  0.00           H  
HETATM   38  H   UNL     1       1.059  -1.543  -1.932  1.00  0.00           H  
HETATM   39  H   UNL     1       2.667  -3.265   0.040  1.00  0.00           H  
HETATM   40  H   UNL     1       3.044  -4.416  -2.056  1.00  0.00           H  
HETATM   41  H   UNL     1       4.649  -2.246  -0.706  1.00  0.00           H  
HETATM   42  H   UNL     1       4.002  -1.997  -2.358  1.00  0.00           H  
HETATM   43  H   UNL     1       3.352   0.130  -1.799  1.00  0.00           H  
HETATM   44  H   UNL     1       3.276  -0.396   1.951  1.00  0.00           H  
HETATM   45  H   UNL     1       8.732   1.051  -2.730  1.00  0.00           H  
HETATM   46  H   UNL     1       7.356   2.034  -3.287  1.00  0.00           H  
HETATM   47  H   UNL     1       8.664   2.788  -2.344  1.00  0.00           H  
HETATM   48  H   UNL     1       7.387   1.851   3.138  1.00  0.00           H  
HETATM   49  H   UNL     1       8.695   2.502   2.309  1.00  0.00           H  
CONECT    1   27   27   29   28                                       
CONECT    2    3    3                                                 
CONECT    3    5    2    2   14                                       
CONECT    3    4                                                      
CONECT    4    3   32                                                 
CONECT    5    6    3                                                 
CONECT    6    7    7    8    9                                       
CONECT    6    5                                                      
CONECT    7    6    6                                                 
CONECT    8    6   33                                                 
CONECT    9   10    6                                                 
CONECT   10   13   13   11    9                                       
CONECT   10   12                                                      
CONECT   11   10   34                                                 
CONECT   12   10   35                                                 
CONECT   13   10   10                                                 
CONECT   14    3   15                                                 
CONECT   15   14   16   36   37                                       
CONECT   16   17   15   21   38                                       
CONECT   17   18   19   16   39                                       
CONECT   18   17   40                                                 
CONECT   19   17   20   41   42                                       
CONECT   20   19   21   22   43                                       
CONECT   21   16   20                                                 
CONECT   22   26   20   23                                            
CONECT   23   22   24   24   27                                       
CONECT   24   25   23   23   30                                       
CONECT   25   26   26   24                                            
CONECT   26   22   25   25   44                                       
CONECT   27   23    1    1                                            
CONECT   28    1   45   46   47                                       
CONECT   29   30   30    1                                            
CONECT   30   24   31   29   29                                       
CONECT   31   30   48   49                                            
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
