COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.846   0.247   0.582  1.00  0.00           P  
HETATM    2  O   UNL     1       4.649   1.419   0.997  1.00  0.00           O  
HETATM    3  O   UNL     1       3.592  -0.706   1.855  1.00  0.00           O  
HETATM    4  O   UNL     1       4.641  -0.574  -0.552  1.00  0.00           O  
HETATM    5  O   UNL     1       2.433   0.746  -0.006  1.00  0.00           O  
HETATM    6  P   UNL     1       6.167  -1.056  -0.722  1.00  0.00           P  
HETATM    7  O   UNL     1       6.647  -1.635   0.553  1.00  0.00           O  
HETATM    8  O   UNL     1       6.253  -2.168  -1.883  1.00  0.00           O  
HETATM    9  O   UNL     1       7.087   0.205  -1.118  1.00  0.00           O  
HETATM   10  C   UNL     1       1.541   1.590   0.724  1.00  0.00           C  
HETATM   11  C   UNL     1       0.297   1.870  -0.122  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.450   0.657  -0.310  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.623   2.866   0.611  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.802   4.049  -0.169  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.962   2.104   0.762  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.071   2.970   0.513  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.847   1.022  -0.342  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.689  -0.133  -0.022  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.289  -1.273   0.613  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.296  -2.088   0.733  1.00  0.00           N1+
HETATM   21  C   UNL     1      -3.247  -3.409   1.362  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.399  -1.522   0.183  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.743  -1.933   0.027  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.116  -3.019   0.438  1.00  0.00           O  
HETATM   25  N   UNL     1      -6.604  -1.092  -0.587  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.177   0.120  -1.041  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.074   0.954  -1.661  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.930   0.514  -0.903  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.023  -0.263  -0.300  1.00  0.00           C  
HETATM   30  H   UNL     1       3.071  -1.496   1.657  1.00  0.00           H  
HETATM   31  H   UNL     1       7.146  -2.505  -2.040  1.00  0.00           H  
HETATM   32  H   UNL     1       6.830   0.635  -1.945  1.00  0.00           H  
HETATM   33  H   UNL     1       1.246   1.094   1.649  1.00  0.00           H  
HETATM   34  H   UNL     1       2.040   2.530   0.959  1.00  0.00           H  
HETATM   35  H   UNL     1       0.591   2.278  -1.090  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.212   3.114   1.590  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.373   4.711   0.245  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.040   1.647   1.748  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.133   3.716   1.125  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.113   1.436  -1.314  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.287  -1.469   0.964  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.469  -3.314   2.425  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.983  -4.063   0.894  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.251  -3.835   1.236  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.531  -1.352  -0.706  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.997   0.677  -1.771  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.784   1.819  -1.990  1.00  0.00           H  
CONECT    1    5    4    2    2                                       
CONECT    1    3                                                      
CONECT    2    1    1                                                 
CONECT    3    1   30                                                 
CONECT    4    1    6                                                 
CONECT    5   10    1                                                 
CONECT    6    4    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   31                                                 
CONECT    9    6   32                                                 
CONECT   10   11    5   33   34                                       
CONECT   11   13   12   10   35                                       
CONECT   12   17   11                                                 
CONECT   13   14   15   11   36                                       
CONECT   14   13   37                                                 
CONECT   15   16   13   17   38                                       
CONECT   16   15   39                                                 
CONECT   17   15   12   18   40                                       
CONECT   18   17   29   19                                            
CONECT   19   18   20   20   41                                       
CONECT   20   22   19   19   21                                       
CONECT   21   20   42   43   44                                       
CONECT   22   29   29   23   20                                       
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   45                                            
CONECT   26   27   28   28   25                                       
CONECT   27   26   46   47                                            
CONECT   28   26   26   29                                            
CONECT   29   28   18   22   22                                       
CONECT   30    3                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
