COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.159   6.261  -0.232  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.389   5.609  -1.336  1.00  0.00           C  
HETATM    3  C   UNL     1       0.159   4.406  -1.766  1.00  0.00           C  
HETATM    4  C   UNL     1       1.247   3.846  -1.107  1.00  0.00           C  
HETATM    5  C   UNL     1       1.795   4.498  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       1.251   5.706   0.435  1.00  0.00           C  
HETATM    7  N   UNL     1       1.809   6.369   1.560  1.00  0.00           N1+
HETATM    8  O   UNL     1       2.791   5.852   2.145  1.00  0.00           O  
HETATM    9  O   UNL     1       1.305   7.454   1.938  1.00  0.00           O1-
HETATM   10  C   UNL     1      -0.432   3.704  -2.955  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.905   3.670  -2.899  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.451   3.050  -4.118  1.00  0.00           C  
HETATM   13  P   UNL     1      -1.953   4.141  -5.440  1.00  0.00           P  
HETATM   14  O   UNL     1      -0.479   4.342  -5.624  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.803   5.492  -5.178  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.697   3.496  -6.725  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.343   2.977  -1.719  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.861   2.980  -1.559  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.447   4.395  -1.494  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.965   4.389  -1.329  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.550   5.779  -1.334  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.893   5.781  -1.141  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.891   6.798  -1.497  1.00  0.00           O  
HETATM   24  H   UNL     1      -0.274   7.202   0.099  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.240   6.049  -1.849  1.00  0.00           H  
HETATM   26  H   UNL     1       1.677   2.906  -1.441  1.00  0.00           H  
HETATM   27  H   UNL     1       2.646   4.054   0.508  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.141   4.207  -3.883  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.075   2.671  -3.018  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.114   2.019  -4.271  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.548   3.044  -4.097  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.680   6.255  -5.783  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.556   3.901  -7.607  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.948   1.958  -1.763  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.883   3.485  -0.865  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.299   2.453  -2.416  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.136   2.418  -0.659  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.986   4.955  -0.673  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.202   4.927  -2.422  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.436   3.816  -2.136  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.253   3.895  -0.394  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.312   6.668  -1.141  1.00  0.00           H  
CONECT    1    2    2    6   24                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   26                                       
CONECT    5    4    6    6   27                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7                                                      
CONECT   10    3   11   28   29                                       
CONECT   11   10   12   17                                            
CONECT   12   11   13   30   31                                       
CONECT   13   12   14   14   15                                       
CONECT   13   16                                                      
CONECT   14   13   13                                                 
CONECT   15   13   32                                                 
CONECT   16   13   33                                                 
CONECT   17   11   18   34   35                                       
CONECT   18   17   19   36   37                                       
CONECT   19   18   20   38   39                                       
CONECT   20   19   21   40   41                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   42                                                 
CONECT   23   21   21                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
