COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.521   2.999   1.024  1.00  0.00           O  
HETATM    2  P   UNL     1      -4.802   1.911  -0.129  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.803   0.931   0.351  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.364   2.653  -1.442  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.432   1.145  -0.490  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.742   0.306   0.438  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.485  -0.261  -0.225  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.534   0.792  -0.502  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.717  -1.177   0.755  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.346  -2.465   0.827  1.00  0.00           O  
HETATM   11  C   UNL     1       0.718  -1.135   0.203  1.00  0.00           C  
HETATM   12  O   UNL     1       0.993  -2.221  -0.732  1.00  0.00           O  
HETATM   13  C   UNL     1       0.759   0.175  -0.618  1.00  0.00           C  
HETATM   14  V   UNL     1      -0.029  -3.565   0.082  1.00  0.00           V  
HETATM   15  O   UNL     1      -0.635  -4.567  -0.984  1.00  0.00           O  
HETATM   16  O   UNL     1       0.927  -4.456   1.378  1.00  0.00           O  
HETATM   17  N   UNL     1       1.787   1.069  -0.079  1.00  0.00           N  
HETATM   18  C   UNL     1       1.595   2.062   0.834  1.00  0.00           C  
HETATM   19  N   UNL     1       2.724   2.657   1.088  1.00  0.00           N  
HETATM   20  C   UNL     1       3.710   2.085   0.356  1.00  0.00           C  
HETATM   21  C   UNL     1       5.092   2.301   0.219  1.00  0.00           C  
HETATM   22  N   UNL     1       5.727   3.297   0.940  1.00  0.00           N  
HETATM   23  N   UNL     1       5.774   1.526  -0.618  1.00  0.00           N  
HETATM   24  C   UNL     1       5.175   0.573  -1.310  1.00  0.00           C  
HETATM   25  N   UNL     1       3.885   0.336  -1.214  1.00  0.00           N  
HETATM   26  C   UNL     1       3.122   1.055  -0.398  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.873   3.674   0.778  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.190   3.136  -1.298  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.459   0.890   1.314  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.393  -0.513   0.742  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.742  -0.798  -1.138  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.722  -0.720   1.745  1.00  0.00           H  
HETATM   33  H   UNL     1       1.446  -1.127   1.014  1.00  0.00           H  
HETATM   34  H   UNL     1       0.970  -0.050  -1.663  1.00  0.00           H  
HETATM   35  H   UNL     1       1.618  -5.036   1.028  1.00  0.00           H  
HETATM   36  H   UNL     1       0.645   2.318   1.281  1.00  0.00           H  
HETATM   37  H   UNL     1       5.219   3.855   1.548  1.00  0.00           H  
HETATM   38  H   UNL     1       6.682   3.436   0.837  1.00  0.00           H  
HETATM   39  H   UNL     1       5.768  -0.033  -1.979  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    3    4                                       
CONECT    2    5                                                      
CONECT    3    2    2                                                 
CONECT    4    2   28                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   29   30                                       
CONECT    7    6    8    9   31                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   32                                       
CONECT   10    9   14                                                 
CONECT   11    9   12   13   33                                       
CONECT   12   11   14                                                 
CONECT   13    8   11   17   34                                       
CONECT   14   10   12   15   15                                       
CONECT   14   16                                                      
CONECT   15   14   14                                                 
CONECT   16   14   35                                                 
CONECT   17   13   18   26                                            
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   37   38                                            
CONECT   23   21   21   24                                            
CONECT   24   23   25   25   39                                       
CONECT   25   24   24   26                                            
CONECT   26   17   20   20   25                                       
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
