COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.996   1.515  -0.325  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.872   0.512  -0.370  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.086  -0.618  -0.740  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.633   0.874   0.002  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.671  -0.074  -0.062  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.412   0.222   0.295  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.025   1.652   0.619  1.00  0.00           C  
HETATM    8  S   UNL     1       0.602   1.942  -0.150  1.00  0.00           S  
HETATM    9  CA  UNL     1      -0.403  -0.831   0.381  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.893  -2.235   0.354  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.085  -2.462   0.388  1.00  0.00           O  
HETATM   12  OXT UNL     1      -0.016  -3.253   0.292  1.00  0.00           O  
HETATM   13  N   UNL     1       0.861  -0.663   0.476  1.00  0.00           N  
HETATM   14  C   UNL     1       1.585   0.595   0.571  1.00  0.00           C  
HETATM   15  CA  UNL     1       2.908   0.472  -0.188  1.00  0.00           C  
HETATM   16  N   UNL     1       3.652  -0.687   0.311  1.00  0.00           N  
HETATM   17  C   UNL     1       4.554  -1.301  -0.480  1.00  0.00           C  
HETATM   18  O   UNL     1       4.751  -0.892  -1.605  1.00  0.00           O  
HETATM   19  C   UNL     1       3.726   1.721   0.022  1.00  0.00           C  
HETATM   20  O   UNL     1       4.816   1.650   0.535  1.00  0.00           O  
HETATM   21  H   UNL     1      -6.919   1.042  -0.660  1.00  0.00           H  
HETATM   22  H   UNL     1      -6.121   1.874   0.697  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.760   2.355  -0.979  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.762   2.340   0.205  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.958   1.784   1.699  1.00  0.00           H  
HETATM   26  HXT UNL     1      -0.382  -4.148   0.276  1.00  0.00           H  
HETATM   27  H   UNL     1       1.792   0.819   1.617  1.00  0.00           H  
HETATM   28  HA  UNL     1       2.707   0.344  -1.252  1.00  0.00           H  
HETATM   29  H   UNL     1       3.494  -1.014   1.211  1.00  0.00           H  
HETATM   30  H   UNL     1       5.102  -2.155  -0.112  1.00  0.00           H  
HETATM   31  H   UNL     1       3.336   2.680  -0.287  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.916  -1.070  -0.400  1.00  0.00           H  
CONECT    1   21   22   23    2                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2                                                 
CONECT    5    4    6    6   32                                       
CONECT    6    9    5    5    7                                       
CONECT    7    6   24   25    8                                       
CONECT    8   14    7                                                 
CONECT    9    6   10   13   13                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   26                                                 
CONECT   13    9    9   14                                            
CONECT   14    8   13   27   15                                       
CONECT   15   19   14   28   16                                       
CONECT   16   15   29   17                                            
CONECT   17   16   30   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   15   20   20   31                                       
CONECT   20   19   19                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   19                                                      
CONECT   32    5                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
