COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.386  -2.275   1.089  1.00  0.00           O  
HETATM    2  P   UNL     1       0.303  -2.196   0.083  1.00  0.00           P  
HETATM    3  O   UNL     1      -1.117  -2.439   0.803  1.00  0.00           O  
HETATM    4  O   UNL     1       0.533  -3.324  -1.043  1.00  0.00           O  
HETATM    5  N   UNL     1       0.314  -0.714  -0.618  1.00  0.00           N  
HETATM    6  S   UNL     1       0.210   0.513   0.228  1.00  0.00           S  
HETATM    7  O   UNL     1       0.176   0.063   1.576  1.00  0.00           O  
HETATM    8  C   UNL     1       1.623   1.566  -0.202  1.00  0.00           C  
HETATM    9  C   UNL     1       2.925   0.831   0.124  1.00  0.00           C  
HETATM   10  C   UNL     1       4.088   1.776  -0.036  1.00  0.00           C  
HETATM   11  O   UNL     1       3.896   2.919  -0.376  1.00  0.00           O  
HETATM   12  O   UNL     1       5.338   1.347   0.199  1.00  0.00           O  
HETATM   13  C   UNL     1       3.094  -0.353  -0.830  1.00  0.00           C  
HETATM   14  C   UNL     1       4.299  -1.190  -0.394  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.267   1.408  -0.327  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.515   0.584  -0.001  1.00  0.00           C  
HETATM   17  CA  UNL     1      -3.760   1.339  -0.470  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.901   2.580   0.303  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.979   0.477  -0.261  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.275  -0.492  -1.142  1.00  0.00           O  
HETATM   21  OXT UNL     1      -5.689   0.657   0.700  1.00  0.00           O  
HETATM   22  H   UNL     1      -1.785  -2.460   0.104  1.00  0.00           H  
HETATM   23  H   UNL     1       0.519  -4.178  -0.590  1.00  0.00           H  
HETATM   24  H   UNL     1       1.574   2.491   0.372  1.00  0.00           H  
HETATM   25  H   UNL     1       1.593   1.797  -1.267  1.00  0.00           H  
HETATM   26  H   UNL     1       2.890   0.468   1.151  1.00  0.00           H  
HETATM   27  H   UNL     1       6.085   1.953   0.096  1.00  0.00           H  
HETATM   28  H   UNL     1       3.256   0.016  -1.843  1.00  0.00           H  
HETATM   29  H   UNL     1       2.196  -0.970  -0.807  1.00  0.00           H  
HETATM   30  H   UNL     1       5.197  -0.573  -0.418  1.00  0.00           H  
HETATM   31  H   UNL     1       4.138  -1.559   0.618  1.00  0.00           H  
HETATM   32  H   UNL     1       4.420  -2.034  -1.074  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.323   2.369   0.183  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.210   1.570  -1.404  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.459  -0.377  -0.511  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.572   0.422   1.075  1.00  0.00           H  
HETATM   37  HA  UNL     1      -3.663   1.579  -1.528  1.00  0.00           H  
HETATM   38  H1  UNL     1      -4.783   2.990   0.036  1.00  0.00           H  
HETATM   39  H2  UNL     1      -3.988   2.311   1.272  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.056  -1.045  -1.007  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   22                                                 
CONECT    4    2   23                                                 
CONECT    5    2    6    6                                            
CONECT    6    5    5    7    7                                       
CONECT    6    8   15                                                 
CONECT    7    6    6                                                 
CONECT    8    6    9   24   25                                       
CONECT    9    8   10   13   26                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   27                                                 
CONECT   13    9   14   28   29                                       
CONECT   14   13   30   31   32                                       
CONECT   15    6   16   33   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   19   37                                       
CONECT   18   17   38   39                                            
CONECT   19   17   20   21   21                                       
CONECT   20   19   40                                                 
CONECT   21   19   19                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
