COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  SD  UNL     1      -3.353   1.481  -0.658  1.00  0.00           S  
HETATM    2  CG  UNL     1      -4.799   0.451  -0.249  1.00  0.00           C  
HETATM    3  CB  UNL     1      -4.437  -1.005  -0.550  1.00  0.00           C  
HETATM    4  CA  UNL     1      -3.120  -1.380   0.039  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.893  -2.838   0.175  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.737  -3.294   0.695  1.00  0.00           O  
HETATM    7  OXT UNL     1      -3.749  -3.622  -0.181  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.179  -0.666   0.434  1.00  0.00           N  
HETATM    9  CE  UNL     1      -2.102   0.789   0.465  1.00  0.00           C  
HETATM   10  CA  UNL     1      -0.709   1.236   0.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.590   2.731   0.159  1.00  0.00           C  
HETATM   12  O   UNL     1       0.255   3.203   0.882  1.00  0.00           O  
HETATM   13  N   UNL     1       0.305   0.583   0.846  1.00  0.00           N  
HETATM   14  C   UNL     1       1.552   0.400   0.369  1.00  0.00           C  
HETATM   15  O   UNL     1       1.835   0.776  -0.749  1.00  0.00           O  
HETATM   16  C   UNL     1       2.596  -0.271   1.224  1.00  0.00           C  
HETATM   17  C   UNL     1       3.894  -0.352   0.462  1.00  0.00           C  
HETATM   18  C   UNL     1       4.851   0.576   0.474  1.00  0.00           C  
HETATM   19  C   UNL     1       5.957   0.283  -0.305  1.00  0.00           C  
HETATM   20  C   UNL     1       5.898  -0.883  -0.949  1.00  0.00           C  
HETATM   21  S   UNL     1       4.380  -1.688  -0.573  1.00  0.00           S  
HETATM   22  HG1 UNL     1      -5.043   0.561   0.808  1.00  0.00           H  
HETATM   23  HG2 UNL     1      -5.652   0.753  -0.858  1.00  0.00           H  
HETATM   24  HB1 UNL     1      -5.208  -1.656  -0.137  1.00  0.00           H  
HETATM   25  HB2 UNL     1      -4.396  -1.145  -1.630  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.635  -4.253   0.764  1.00  0.00           H  
HETATM   27  HE  UNL     1      -2.288   1.142   1.479  1.00  0.00           H  
HETATM   28  HA  UNL     1      -0.558   0.958  -1.028  1.00  0.00           H  
HETATM   29  H   UNL     1       0.079   0.282   1.741  1.00  0.00           H  
HETATM   30  H   UNL     1       2.745   0.307   2.136  1.00  0.00           H  
HETATM   31  H   UNL     1       2.263  -1.277   1.482  1.00  0.00           H  
HETATM   32  H   UNL     1       4.770   1.488   1.048  1.00  0.00           H  
HETATM   33  H   UNL     1       6.804   0.949  -0.385  1.00  0.00           H  
HETATM   34  H   UNL     1       6.666  -1.274  -1.600  1.00  0.00           H  
HETATM   35  OXT UNL     1      -1.424   3.538  -0.516  1.00  0.00           O  
HETATM   36  HXT UNL     1      -1.309   4.490  -0.391  1.00  0.00           H  
CONECT    1    2    9                                                 
CONECT    2    1    3   22   23                                       
CONECT    3    2    4   24   25                                       
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   26                                                 
CONECT    7    5    5                                                 
CONECT    8    4    4    9                                            
CONECT    9    1    8   10   27                                       
CONECT   10    9   11   13   28                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   29                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   30   31                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   32                                       
CONECT   19   18   20   20   33                                       
CONECT   20   19   19   21   34                                       
CONECT   21   17   20                                                 
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    6                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   13                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   11   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
