COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.279  -0.009   0.029  1.00  0.00           C  
HETATM    2  C   UNL     1       5.005   0.653  -0.502  1.00  0.00           C  
HETATM    3  C   UNL     1       3.781  -0.075   0.056  1.00  0.00           C  
HETATM    4  C   UNL     1       2.508   0.587  -0.475  1.00  0.00           C  
HETATM    5  S   UNL     1       1.056  -0.276   0.187  1.00  0.00           S  
HETATM    6  N   UNL     1       1.072  -1.666  -0.359  1.00  0.00           N  
HETATM    7  O   UNL     1       1.055  -0.380   1.604  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.411   0.556  -0.480  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.672  -0.133   0.047  1.00  0.00           C  
HETATM   10  CA  UNL     1      -2.909   0.569  -0.515  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.147  -0.182  -0.096  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.807   0.213   0.836  1.00  0.00           O  
HETATM   13  OXT UNL     1      -4.516  -1.290  -0.757  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.971   1.942   0.003  1.00  0.00           N  
HETATM   15  H   UNL     1       6.289   0.045   1.117  1.00  0.00           H  
HETATM   16  H   UNL     1       6.303  -1.053  -0.283  1.00  0.00           H  
HETATM   17  H   UNL     1       7.151   0.510  -0.369  1.00  0.00           H  
HETATM   18  H   UNL     1       4.981   1.697  -0.190  1.00  0.00           H  
HETATM   19  H   UNL     1       4.995   0.599  -1.591  1.00  0.00           H  
HETATM   20  H   UNL     1       3.805  -1.119  -0.256  1.00  0.00           H  
HETATM   21  H   UNL     1       3.791  -0.021   1.145  1.00  0.00           H  
HETATM   22  H   UNL     1       2.484   1.631  -0.163  1.00  0.00           H  
HETATM   23  H   UNL     1       2.498   0.533  -1.564  1.00  0.00           H  
HETATM   24  H   UNL     1       0.351  -2.279  -0.147  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.410   1.600  -0.168  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.396   0.502  -1.569  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.673  -1.177  -0.265  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.687  -0.079   1.136  1.00  0.00           H  
HETATM   29  HA  UNL     1      -2.851   0.593  -1.603  1.00  0.00           H  
HETATM   30  HXT UNL     1      -5.316  -1.738  -0.452  1.00  0.00           H  
HETATM   31  H1  UNL     1      -3.744   2.448  -0.404  1.00  0.00           H  
HETATM   32  H2  UNL     1      -3.027   1.947   1.010  1.00  0.00           H  
CONECT    1    2   15   16   17                                       
CONECT    2    1    3   18   19                                       
CONECT    3    2    4   20   21                                       
CONECT    4    3    5   22   23                                       
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5   24                                            
CONECT    7    5    5                                                 
CONECT    8    5    9   25   26                                       
CONECT    9    8   10   27   28                                       
CONECT   10    9   11   14   29                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   30                                                 
CONECT   14   10   31   32                                            
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
