COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.157  -0.980   0.477  1.00  0.00           C  
HETATM    2  C   UNL     1       4.543  -0.482   0.625  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.863  -0.750   0.504  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.533  -0.506   0.205  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.969   0.658   0.214  1.00  0.00           N  
HETATM    6  CA  UNL     1      -0.671   0.704  -0.103  1.00  0.00           C  
HETATM    7  C   UNL     1       0.092   1.960  -0.130  1.00  0.00           C  
HETATM    8  OXT UNL     1      -0.517   3.125   0.171  1.00  0.00           O  
HETATM    9  O   UNL     1       1.271   1.949  -0.424  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.112  -0.491  -0.395  1.00  0.00           C  
HETATM   11  C   UNL     1       1.326  -0.723  -0.782  1.00  0.00           C  
HETATM   12  C   UNL     1       3.595  -1.212   0.090  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.352  -1.733  -0.240  1.00  0.00           S  
HETATM   14  H   UNL     1       2.093  -0.116   1.138  1.00  0.00           H  
HETATM   15  H   UNL     1       1.773  -1.861   0.992  1.00  0.00           H  
HETATM   16  H   UNL     1       4.293   0.285   1.343  1.00  0.00           H  
HETATM   17  H   UNL     1       5.573  -0.648   0.348  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.208  -1.657   0.477  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.450  -0.015   0.740  1.00  0.00           H  
HETATM   20  HXT UNL     1       0.026   3.925   0.140  1.00  0.00           H  
HETATM   21  H   UNL     1       1.710   0.158  -1.297  1.00  0.00           H  
HETATM   22  H   UNL     1       1.390  -1.587  -1.443  1.00  0.00           H  
HETATM   23  H   UNL     1       3.845  -1.979  -0.627  1.00  0.00           H  
CONECT    1   12   11   14   15                                       
CONECT    2   12   12   16   17                                       
CONECT    3    4   18   19                                            
CONECT    4    3   13    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6    5   10   10    7                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   20                                                 
CONECT    9    7    7                                                 
CONECT   10   13    6    6   11                                       
CONECT   11   10    1   21   22                                       
CONECT   12    2    2    1   23                                       
CONECT   13    4   10                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    8                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
