COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.281  -1.812   1.025  1.00  0.00           O  
HETATM    2  P   UNL     1       4.152  -1.220  -0.325  1.00  0.00           P  
HETATM    3  O   UNL     1       5.602  -0.757  -0.850  1.00  0.00           O  
HETATM    4  O   UNL     1       3.541  -2.316  -1.335  1.00  0.00           O  
HETATM    5  O   UNL     1       3.172   0.056  -0.261  1.00  0.00           O  
HETATM    6  C   UNL     1       1.844  -0.009   0.264  1.00  0.00           C  
HETATM    7  C   UNL     1       1.203   1.353   0.177  1.00  0.00           C  
HETATM    8  C   UNL     1       1.902   2.422  -0.352  1.00  0.00           C  
HETATM    9  N   UNL     1       1.351   3.617  -0.432  1.00  0.00           N  
HETATM   10  C   UNL     1       0.121   3.844  -0.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.459   5.231  -0.124  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.643   2.821   0.527  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.910   3.060   0.955  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.094   1.546   0.622  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.889   0.405   1.204  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.635  -0.269   0.133  1.00  0.00           N  
HETATM   17  CA  UNL     1      -2.423  -1.389   0.665  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.556  -2.619   0.746  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.400  -2.568   0.398  1.00  0.00           O  
HETATM   20  OXT UNL     1      -2.068  -3.771   1.207  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.610  -1.662  -0.261  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.555  -0.459  -0.247  1.00  0.00           C  
HETATM   23  S   UNL     1      -5.963  -0.783  -1.345  1.00  0.00           S  
HETATM   24  H   UNL     1       6.245  -1.476  -0.913  1.00  0.00           H  
HETATM   25  H   UNL     1       3.428  -1.997  -2.240  1.00  0.00           H  
HETATM   26  H   UNL     1       1.259  -0.723  -0.314  1.00  0.00           H  
HETATM   27  H   UNL     1       1.880  -0.327   1.306  1.00  0.00           H  
HETATM   28  H   UNL     1       2.912   2.276  -0.704  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.237   5.790   0.784  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.021   5.741  -0.982  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.539   5.163  -0.254  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.586   2.933   0.275  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.211  -0.305   1.677  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.588   0.791   1.946  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.015  -0.579  -0.600  1.00  0.00           H  
HETATM   36  HA  UNL     1      -2.789  -1.135   1.660  1.00  0.00           H  
HETATM   37  HXT UNL     1      -1.473  -4.533   1.240  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.248  -1.828  -1.276  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.143  -2.548   0.084  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.917  -0.293   0.768  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.022   0.426  -0.592  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.697   0.338  -1.235  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    1    1    3                                       
CONECT    2    4                                                      
CONECT    3    2   24                                                 
CONECT    4    2   25                                                 
CONECT    5    6    2                                                 
CONECT    6    7    5   26   27                                       
CONECT    7   14   14    8    6                                       
CONECT    8    9    9    7   28                                       
CONECT    9   10    8    8                                            
CONECT   10   11   12   12    9                                       
CONECT   11   10   29   30   31                                       
CONECT   12   13   10   10   14                                       
CONECT   13   12   32                                                 
CONECT   14   12   15    7    7                                       
CONECT   15   16   14   33   34                                       
CONECT   16   17   15   35                                            
CONECT   17   18   16   21   36                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   18   37                                                 
CONECT   21   17   22   38   39                                       
CONECT   22   21   23   40   41                                       
CONECT   23   22   42                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
