COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.613   1.055   0.359  1.00  0.00           N  
HETATM    2  C   UNL     1       2.317   0.643   0.098  1.00  0.00           C  
HETATM    3  N   UNL     1       1.885  -0.573   0.205  1.00  0.00           N  
HETATM    4  CA  UNL     1       0.598  -0.785  -0.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.020  -2.116  -0.008  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.196  -2.258  -0.284  1.00  0.00           O  
HETATM    7  OXT UNL     1       0.716  -3.180   0.371  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.092   0.315  -0.461  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.550   0.356  -0.842  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.396   0.609   0.408  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.083   2.000   0.962  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.880   0.527   0.044  1.00  0.00           C  
HETATM   13  S   UNL     1       1.003   1.694  -0.420  1.00  0.00           S  
HETATM   14  H   UNL     1       4.278   0.410   0.645  1.00  0.00           H  
HETATM   15  H   UNL     1       3.856   1.987   0.250  1.00  0.00           H  
HETATM   16  HXT UNL     1       0.266  -4.035   0.409  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.715   1.158  -1.561  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.836  -0.597  -1.287  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.164  -0.143   1.162  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.026   2.059   1.221  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.314   2.752   0.208  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.686   2.181   1.852  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.111   1.279  -0.710  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.103  -0.464  -0.351  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.483   0.707   0.934  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2   13    3    3    1                                       
CONECT    3    4    2    2                                            
CONECT    4    8    8    5    3                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   16                                                 
CONECT    8    9   13    4    4                                       
CONECT    9   10    8   17   18                                       
CONECT   10   12   11    9   19                                       
CONECT   11   10   20   21   22                                       
CONECT   12   10   23   24   25                                       
CONECT   13    8    2                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    7                                                      
CONECT   17    9                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
