COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.975  -0.888   0.135  1.00  0.00           O  
HETATM    2  P   UNL     1       4.515  -0.720   0.600  1.00  0.00           P  
HETATM    3  O   UNL     1       5.472  -1.723   0.024  1.00  0.00           O  
HETATM    4  O   UNL     1       4.855   0.824   0.258  1.00  0.00           O  
HETATM    5  O   UNL     1       4.418  -0.718   2.214  1.00  0.00           O  
HETATM    6  C   UNL     1       4.891   1.222  -1.104  1.00  0.00           C  
HETATM    7  C   UNL     1       5.960   0.404  -1.817  1.00  0.00           C  
HETATM    8  C   UNL     1       5.174   2.724  -1.214  1.00  0.00           C  
HETATM    9  C   UNL     1       4.094   3.564  -0.522  1.00  0.00           C  
HETATM   10  C   UNL     1       4.338   5.071  -0.630  1.00  0.00           C  
HETATM   11  C   UNL     1       3.231   5.911  -0.011  1.00  0.00           C  
HETATM   12  O   UNL     1       6.992   0.037  -1.259  1.00  0.00           O  
HETATM   13  N   UNL     1       5.621   0.117  -3.131  1.00  0.00           N  
HETATM   14  C   UNL     1       6.466  -0.662  -4.005  1.00  0.00           C  
HETATM   15  C   UNL     1       5.661  -1.398  -5.085  1.00  0.00           C  
HETATM   16  C   UNL     1       4.656  -2.437  -4.547  1.00  0.00           C  
HETATM   17  C   UNL     1       5.394  -3.482  -3.706  1.00  0.00           C  
HETATM   18  C   UNL     1       3.546  -1.795  -3.713  1.00  0.00           C  
HETATM   19  C   UNL     1       7.460   0.303  -4.653  1.00  0.00           C  
HETATM   20  N   UNL     1       8.683  -0.322  -4.889  1.00  0.00           N  
HETATM   21  O   UNL     1       7.150   1.454  -4.946  1.00  0.00           O  
HETATM   22  C   UNL     1       9.843   0.242  -5.471  1.00  0.00           C  
HETATM   23  C   UNL     1      10.973  -0.544  -5.627  1.00  0.00           C  
HETATM   24  C   UNL     1      12.116   0.012  -6.201  1.00  0.00           C  
HETATM   25  C   UNL     1      12.113   1.346  -6.610  1.00  0.00           C  
HETATM   26  C   UNL     1      10.967   2.123  -6.445  1.00  0.00           C  
HETATM   27  C   UNL     1       9.824   1.567  -5.871  1.00  0.00           C  
HETATM   28  N   UNL     1      13.277   1.911  -7.194  1.00  0.00           N1+
HETATM   29  O   UNL     1      14.298   1.195  -7.333  1.00  0.00           O1-
HETATM   30  O   UNL     1      13.254   3.113  -7.555  1.00  0.00           O  
HETATM   31  H   UNL     1       2.559  -1.775   0.183  1.00  0.00           H  
HETATM   32  H   UNL     1       4.308  -1.571   2.684  1.00  0.00           H  
HETATM   33  H   UNL     1       3.917   0.981  -1.544  1.00  0.00           H  
HETATM   34  H   UNL     1       6.147   2.938  -0.756  1.00  0.00           H  
HETATM   35  H   UNL     1       5.246   3.019  -2.268  1.00  0.00           H  
HETATM   36  H   UNL     1       4.020   3.283   0.536  1.00  0.00           H  
HETATM   37  H   UNL     1       3.122   3.341  -0.978  1.00  0.00           H  
HETATM   38  H   UNL     1       4.422   5.333  -1.692  1.00  0.00           H  
HETATM   39  H   UNL     1       5.296   5.329  -0.164  1.00  0.00           H  
HETATM   40  H   UNL     1       3.413   6.973  -0.205  1.00  0.00           H  
HETATM   41  H   UNL     1       2.256   5.651  -0.436  1.00  0.00           H  
HETATM   42  H   UNL     1       3.184   5.776   1.073  1.00  0.00           H  
HETATM   43  H   UNL     1       4.726   0.430  -3.494  1.00  0.00           H  
HETATM   44  H   UNL     1       7.017  -1.364  -3.371  1.00  0.00           H  
HETATM   45  H   UNL     1       5.115  -0.657  -5.685  1.00  0.00           H  
HETATM   46  H   UNL     1       6.352  -1.894  -5.779  1.00  0.00           H  
HETATM   47  H   UNL     1       4.193  -2.960  -5.392  1.00  0.00           H  
HETATM   48  H   UNL     1       6.168  -3.982  -4.298  1.00  0.00           H  
HETATM   49  H   UNL     1       5.877  -3.024  -2.835  1.00  0.00           H  
HETATM   50  H   UNL     1       4.703  -4.250  -3.345  1.00  0.00           H  
HETATM   51  H   UNL     1       3.960  -1.203  -2.890  1.00  0.00           H  
HETATM   52  H   UNL     1       2.893  -2.562  -3.282  1.00  0.00           H  
HETATM   53  H   UNL     1       2.916  -1.141  -4.323  1.00  0.00           H  
HETATM   54  H   UNL     1       8.766  -1.300  -4.618  1.00  0.00           H  
HETATM   55  H   UNL     1      10.986  -1.584  -5.312  1.00  0.00           H  
HETATM   56  H   UNL     1      13.003  -0.605  -6.324  1.00  0.00           H  
HETATM   57  H   UNL     1      10.952   3.164  -6.759  1.00  0.00           H  
HETATM   58  H   UNL     1       8.936   2.183  -5.748  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    3    4                                       
CONECT    2    5                                                      
CONECT    3    2    2                                                 
CONECT    4    2    6                                                 
CONECT    5    2   32                                                 
CONECT    6    4    7    8   33                                       
CONECT    7    6   12   12   13                                       
CONECT    8    6    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   40   41   42                                       
CONECT   12    7    7                                                 
CONECT   13    7   14   43                                            
CONECT   14   13   15   19   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   18   47                                       
CONECT   17   16   48   49   50                                       
CONECT   18   16   51   52   53                                       
CONECT   19   14   20   21   21                                       
CONECT   20   19   22   54                                            
CONECT   21   19   19                                                 
CONECT   22   20   23   23   27                                       
CONECT   23   22   22   24   55                                       
CONECT   24   23   25   25   56                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   57                                       
CONECT   27   22   26   26   58                                       
CONECT   28   25   29   30   30                                       
CONECT   29   28                                                      
CONECT   30   28   28                                                 
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
