COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.324  -0.052   0.426  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.089   0.184   0.658  1.00  0.00           C  
HETATM    3  C   UNL     1       1.096  -1.098  -0.197  1.00  0.00           C  
HETATM    4  S   UNL     1      -0.625  -1.200  -0.832  1.00  0.00           S  
HETATM    5  O   UNL     1       1.911   2.026  -0.559  1.00  0.00           O  
HETATM    6  C   UNL     1       2.180   1.100   0.169  1.00  0.00           C  
HETATM    7  OXT UNL     1       3.452   0.889   0.542  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.190   0.899   0.602  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.634  -0.787   1.732  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.547   0.653  -0.101  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.663  -0.045  -0.363  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.523   1.847  -0.287  1.00  0.00           O  
HETATM   13  C   UNL     1       1.430  -2.318   0.663  1.00  0.00           C  
HETATM   14  C   UNL     1       2.090  -0.968  -1.354  1.00  0.00           C  
HETATM   15  HA  UNL     1       1.294  -0.084   1.694  1.00  0.00           H  
HETATM   16  HXT UNL     1       4.117   1.503   0.203  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.184   1.593  -0.130  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.723  -1.245   2.116  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.021  -0.079   2.465  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.379  -1.560   1.545  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.422   0.451  -0.700  1.00  0.00           H  
HETATM   22  H   UNL     1       0.682  -2.423   1.450  1.00  0.00           H  
HETATM   23  H   UNL     1       1.430  -3.213   0.041  1.00  0.00           H  
HETATM   24  H   UNL     1       2.414  -2.188   1.112  1.00  0.00           H  
HETATM   25  H   UNL     1       3.091  -0.804  -0.955  1.00  0.00           H  
HETATM   26  H   UNL     1       2.080  -1.884  -1.945  1.00  0.00           H  
HETATM   27  H   UNL     1       1.806  -0.125  -1.984  1.00  0.00           H  
CONECT    1   10    8    9    4                                       
CONECT    2    8    6    3   15                                       
CONECT    3    2    4   14   13                                       
CONECT    4    1    3                                                 
CONECT    5    6    6                                                 
CONECT    6    5    5    2    7                                       
CONECT    7    6   16                                                 
CONECT    8    1    2   17                                            
CONECT    9    1   18   19   20                                       
CONECT   10   12   12   11    1                                       
CONECT   11   10   21                                                 
CONECT   12   10   10                                                 
CONECT   13    3   22   23   24                                       
CONECT   14    3   25   26   27                                       
CONECT   15    2                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19    9                                                      
CONECT   20    9                                                      
CONECT   21   11                                                      
CONECT   22   13                                                      
CONECT   23   13                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
