COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.373   1.476  -0.740  1.00  0.00           N  
HETATM    2  CA  UNL     1      -3.510   0.055  -0.396  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.563  -0.284   0.757  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.136  -0.121   0.299  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.502   1.099   0.441  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.463  -1.192  -0.257  1.00  0.00           C  
HETATM    7  C   UNL     1       0.806   1.252   0.023  1.00  0.00           C  
HETATM    8  C   UNL     1       0.845  -1.045  -0.677  1.00  0.00           C  
HETATM    9  C   UNL     1       1.482   0.180  -0.541  1.00  0.00           C  
HETATM   10  O   UNL     1       2.768   0.327  -0.954  1.00  0.00           O  
HETATM   11  S   UNL     1       3.803   0.015   0.118  1.00  0.00           S  
HETATM   12  O   UNL     1       5.061   0.409  -0.412  1.00  0.00           O  
HETATM   13  O   UNL     1       3.280   0.520   1.339  1.00  0.00           O  
HETATM   14  O   UNL     1       3.855  -1.499   0.266  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.931  -0.226   0.023  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.645   0.680   0.381  1.00  0.00           O  
HETATM   17  OXT UNL     1      -5.402  -1.483  -0.004  1.00  0.00           O  
HETATM   18  H1  UNL     1      -3.941   1.710  -1.541  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.600   2.063   0.048  1.00  0.00           H  
HETATM   20  HA  UNL     1      -3.260  -0.555  -1.263  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.755   0.387   1.594  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.728  -1.315   1.072  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.028   1.934   0.880  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.960  -2.146  -0.363  1.00  0.00           H  
HETATM   25  H   UNL     1       1.301   2.205   0.133  1.00  0.00           H  
HETATM   26  H   UNL     1       1.371  -1.883  -1.111  1.00  0.00           H  
HETATM   27  H   UNL     1       4.487  -1.808   0.929  1.00  0.00           H  
HETATM   28  HXT UNL     1      -6.319  -1.613   0.273  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    1    3   15   20                                       
CONECT    3    2    4   21   22                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    7   23                                       
CONECT    6    4    8    8   24                                       
CONECT    7    5    9    9   25                                       
CONECT    8    6    6    9   26                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   27                                                 
CONECT   15    2   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   28                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   14                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
