COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -3.098  -0.213  -0.139  1.00  0.00           P  
HETATM    2  O   UNL     1      -2.807   0.457   1.148  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.799  -1.635   0.142  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.088   0.710  -1.012  1.00  0.00           O  
HETATM    5  P   UNL     1      -5.165   1.333   0.010  1.00  0.00           P  
HETATM    6  O   UNL     1      -5.934   2.556  -0.701  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.229   0.199   0.425  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.470   1.824   1.220  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.725  -0.442  -0.948  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.849  -1.163  -0.079  1.00  0.00           C  
HETATM   11  C   UNL     1       0.481  -1.415  -0.791  1.00  0.00           C  
HETATM   12  O   UNL     1       1.228  -0.185  -0.933  1.00  0.00           O  
HETATM   13  C   UNL     1       1.406  -2.303   0.080  1.00  0.00           C  
HETATM   14  N   UNL     1       1.129  -3.724  -0.144  1.00  0.00           N  
HETATM   15  N   UNL     1       1.725  -4.506   0.402  1.00  0.00           N1+
HETATM   16  N   UNL     1       2.320  -5.287   0.948  1.00  0.00           N1-
HETATM   17  C   UNL     1       2.811  -1.924  -0.449  1.00  0.00           C  
HETATM   18  C   UNL     1       2.605  -0.552  -1.119  1.00  0.00           C  
HETATM   19  N   UNL     1       3.475   0.445  -0.490  1.00  0.00           N  
HETATM   20  C   UNL     1       3.288   0.774   0.801  1.00  0.00           C  
HETATM   21  O   UNL     1       2.397   0.239   1.432  1.00  0.00           O  
HETATM   22  N   UNL     1       4.073   1.686   1.404  1.00  0.00           N  
HETATM   23  C   UNL     1       5.068   2.284   0.719  1.00  0.00           C  
HETATM   24  O   UNL     1       5.779   3.110   1.263  1.00  0.00           O  
HETATM   25  C   UNL     1       5.273   1.951  -0.642  1.00  0.00           C  
HETATM   26  C   UNL     1       6.376   2.609  -1.431  1.00  0.00           C  
HETATM   27  C   UNL     1       4.471   1.033  -1.222  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.972  -2.037  -0.720  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.659  -0.094  -0.391  1.00  0.00           H  
HETATM   30  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.305  -2.117   0.187  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.673  -0.580   0.825  1.00  0.00           H  
HETATM   33  H   UNL     1       0.313  -1.875  -1.765  1.00  0.00           H  
HETATM   34  H   UNL     1       1.307  -2.051   1.135  1.00  0.00           H  
HETATM   35  H   UNL     1       3.155  -2.658  -1.179  1.00  0.00           H  
HETATM   36  H   UNL     1       3.520  -1.844   0.375  1.00  0.00           H  
HETATM   37  H   UNL     1       2.830  -0.622  -2.183  1.00  0.00           H  
HETATM   38  H   UNL     1       3.924   1.911   2.335  1.00  0.00           H  
HETATM   39  H   UNL     1       5.993   3.513  -1.906  1.00  0.00           H  
HETATM   40  H   UNL     1       7.196   2.869  -0.762  1.00  0.00           H  
HETATM   41  H   UNL     1       6.735   1.921  -2.196  1.00  0.00           H  
HETATM   42  H   UNL     1       4.615   0.763  -2.257  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    9                                                      
CONECT    2    1    1                                                 
CONECT    3    1   28                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   29                                                 
CONECT    8    5   30                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11   31   32                                       
CONECT   11   10   12   13   33                                       
CONECT   12   11   18                                                 
CONECT   13   11   14   17   34                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   13   18   35   36                                       
CONECT   18   12   17   19   37                                       
CONECT   19   18   20   27                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   38                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   27   27                                       
CONECT   26   25   39   40   41                                       
CONECT   27   19   25   25   42                                       
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
