COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.118  -1.143  -1.902  1.00  0.00           C  
HETATM    2  C   UNL     1       1.414  -0.065  -0.857  1.00  0.00           C  
HETATM    3  S   UNL     1       1.906  -0.853   0.701  1.00  0.00           S  
HETATM    4  O   UNL     1       3.224  -1.525   0.343  1.00  0.00           O  
HETATM    5  O   UNL     1       1.048  -1.953   0.967  1.00  0.00           O  
HETATM    6  C   UNL     1       2.548   0.831  -1.357  1.00  0.00           C  
HETATM    7  CA  UNL     1       0.159   0.780  -0.628  1.00  0.00           C  
HETATM    8  C   UNL     1       0.440   1.819   0.427  1.00  0.00           C  
HETATM    9  O   UNL     1       0.986   2.996   0.082  1.00  0.00           O  
HETATM   10  OXT UNL     1       0.173   1.593   1.584  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.937  -0.084  -0.182  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.230   0.291  -0.394  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.244  -0.508   0.018  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.574  -0.122  -0.200  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.483  -0.838   0.169  1.00  0.00           O  
HETATM   16  H   UNL     1       0.310  -1.782  -1.546  1.00  0.00           H  
HETATM   17  H   UNL     1       0.822  -0.670  -2.839  1.00  0.00           H  
HETATM   18  H   UNL     1       2.012  -1.745  -2.066  1.00  0.00           H  
HETATM   19  H   UNL     1       3.634  -2.002   1.078  1.00  0.00           H  
HETATM   20  H   UNL     1       2.253   1.304  -2.293  1.00  0.00           H  
HETATM   21  H   UNL     1       2.759   1.599  -0.612  1.00  0.00           H  
HETATM   22  H   UNL     1       3.442   0.229  -1.520  1.00  0.00           H  
HETATM   23  HA  UNL     1      -0.122   1.273  -1.558  1.00  0.00           H  
HETATM   24  H   UNL     1       1.148   3.630   0.793  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.743  -0.923   0.263  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.446   1.226  -0.891  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.027  -1.442   0.514  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.790   0.813  -0.697  1.00  0.00           H  
CONECT    1    2   16   17   18                                       
CONECT    2    1    3    6    7                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   19                                                 
CONECT    5    3    3                                                 
CONECT    6    2   20   21   22                                       
CONECT    7    2    8   11   23                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   24                                                 
CONECT   10    8    8                                                 
CONECT   11    7   12   25                                            
CONECT   12   11   13   13   26                                       
CONECT   13   12   12   14   27                                       
CONECT   14   13   15   15   28                                       
CONECT   15   14   14                                                 
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    4                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
