COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.422  -1.220   0.074  1.00  0.00           S  
HETATM    2  C   UNL     1       0.424   0.590   0.087  1.00  0.00           C  
HETATM    3  CA  UNL     1       1.774   1.095   0.599  1.00  0.00           C  
HETATM    4  N   UNL     1       1.946   0.698   2.002  1.00  0.00           N  
HETATM    5  C   UNL     1       2.881   0.498  -0.232  1.00  0.00           C  
HETATM    6  O   UNL     1       3.502  -0.452   0.183  1.00  0.00           O  
HETATM    7  OXT UNL     1       3.178   1.021  -1.432  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.898  -1.212  -0.932  1.00  0.00           O  
HETATM    9  O   UNL     1       0.421  -2.880   0.063  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.691   1.094   1.006  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.992   0.712   0.452  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.416   0.983  -0.733  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.597   0.503  -0.902  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.977  -0.117   0.221  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.951   0.007   1.095  1.00  0.00           C  
HETATM   16  C   UNL     1       0.189   1.110  -1.332  1.00  0.00           C  
HETATM   17  HA  UNL     1       1.809   2.182   0.521  1.00  0.00           H  
HETATM   18  H1  UNL     1       1.279   1.169   2.595  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.878  -0.303   2.106  1.00  0.00           H  
HETATM   20  HXT UNL     1       3.895   0.604  -1.927  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.676  -1.205  -1.873  1.00  0.00           H  
HETATM   22  H   UNL     1       0.533  -3.267  -0.816  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.573   0.653   1.996  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.634   2.180   1.084  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.917  -0.621   0.395  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.909  -0.374   2.104  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.773   0.750  -1.697  1.00  0.00           H  
HETATM   28  H   UNL     1       0.190   2.200  -1.325  1.00  0.00           H  
HETATM   29  H   UNL     1       0.983   0.751  -1.987  1.00  0.00           H  
HETATM   30  H   UNL     1       0.243  -1.230   1.473  1.00  0.00           H  
CONECT    1    8    2    9   30                                       
CONECT    2    1   10   16    3                                       
CONECT    3    2    4    5   17                                       
CONECT    4    3   18   19                                            
CONECT    5    3    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   20                                                 
CONECT    8    1   21                                                 
CONECT    9    1   22                                                 
CONECT   10    2   11   23   24                                       
CONECT   11   10   15   12                                            
CONECT   12   11   13   13                                            
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   25                                       
CONECT   15   11   14   14   26                                       
CONECT   16    2   27   28   29                                       
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30    1                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
