COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.978   3.131  -1.588  1.00  0.00           O  
HETATM    2  P   UNL     1      -4.866   1.857  -0.609  1.00  0.00           P  
HETATM    3  O   UNL     1      -4.981   2.345   0.921  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.962   0.908  -0.908  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.384   1.096  -0.845  1.00  0.00           N  
HETATM    6  P   UNL     1      -3.227  -0.244   0.161  1.00  0.00           P  
HETATM    7  O   UNL     1      -3.327   0.225   1.698  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.309  -1.210  -0.132  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.799  -0.942  -0.095  1.00  0.00           O  
HETATM   10  P   UNL     1      -1.056  -2.228   0.527  1.00  0.00           P  
HETATM   11  O   UNL     1      -1.627  -3.565  -0.163  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.302  -2.282   1.986  1.00  0.00           O  
HETATM   13  O   UNL     1       0.527  -2.117   0.254  1.00  0.00           O  
HETATM   14  C   UNL     1       1.474  -3.053   0.773  1.00  0.00           C  
HETATM   15  C   UNL     1       2.882  -2.655   0.326  1.00  0.00           C  
HETATM   16  O   UNL     1       3.179  -1.307   0.739  1.00  0.00           O  
HETATM   17  S   UNL     1       2.983  -2.604  -1.505  1.00  0.00           S  
HETATM   18  C   UNL     1       3.516  -0.846  -1.607  1.00  0.00           C  
HETATM   19  C   UNL     1       4.072  -0.645  -0.168  1.00  0.00           C  
HETATM   20  N   UNL     1       4.129   0.785   0.147  1.00  0.00           N  
HETATM   21  C   UNL     1       4.888   1.605  -0.602  1.00  0.00           C  
HETATM   22  O   UNL     1       5.522   1.148  -1.538  1.00  0.00           O  
HETATM   23  N   UNL     1       4.958   2.909  -0.339  1.00  0.00           N  
HETATM   24  C   UNL     1       4.279   3.433   0.673  1.00  0.00           C  
HETATM   25  N   UNL     1       4.359   4.781   0.935  1.00  0.00           N  
HETATM   26  C   UNL     1       3.474   2.601   1.478  1.00  0.00           C  
HETATM   27  C   UNL     1       3.409   1.278   1.194  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.808   3.618  -1.506  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.294   2.970   1.187  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.260   0.838  -1.813  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.647   0.861   1.961  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.500  -3.598  -1.122  1.00  0.00           H  
HETATM   33  H   UNL     1       1.425  -3.053   1.862  1.00  0.00           H  
HETATM   34  H   UNL     1       1.242  -4.050   0.399  1.00  0.00           H  
HETATM   35  H   UNL     1       3.619  -3.349   0.729  1.00  0.00           H  
HETATM   36  H   UNL     1       4.297  -0.713  -2.355  1.00  0.00           H  
HETATM   37  H   UNL     1       2.670  -0.187  -1.801  1.00  0.00           H  
HETATM   38  H   UNL     1       5.067  -1.081  -0.091  1.00  0.00           H  
HETATM   39  H   UNL     1       4.913   5.351   0.380  1.00  0.00           H  
HETATM   40  H   UNL     1       3.861   5.161   1.676  1.00  0.00           H  
HETATM   41  H   UNL     1       2.916   3.012   2.305  1.00  0.00           H  
HETATM   42  H   UNL     1       2.799   0.620   1.795  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    4    4    3    5                                       
CONECT    2    1                                                      
CONECT    3    2   29                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   30                                            
CONECT    6    5    8    8    7                                       
CONECT    6    9                                                      
CONECT    7    6   31                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10                                                 
CONECT   10   12   12   11    9                                       
CONECT   10   13                                                      
CONECT   11   10   32                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   33   34                                       
CONECT   15   14   16   17   35                                       
CONECT   16   15   19                                                 
CONECT   17   15   18                                                 
CONECT   18   19   17   36   37                                       
CONECT   19   16   20   18   38                                       
CONECT   20   27   21   19                                            
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   24   21                                            
CONECT   24   25   26   23   23                                       
CONECT   25   24   39   40                                            
CONECT   26   24   27   27   41                                       
CONECT   27   26   26   20   42                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
