COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.149  -0.101  -0.474  1.00  0.00           C  
HETATM    2  OXT UNL     1       1.699   3.069   0.086  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.848  -0.537   0.205  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.704   0.288  -0.326  1.00  0.00           C  
HETATM    5  CA  UNL     1       0.659   0.881  -0.385  1.00  0.00           C  
HETATM    6  C   UNL     1       1.946   0.112  -0.229  1.00  0.00           C  
HETATM    7  C   UNL     1       2.172  -0.632   0.913  1.00  0.00           C  
HETATM    8  C   UNL     1       3.349  -1.342   1.056  1.00  0.00           C  
HETATM    9  C   UNL     1       4.304  -1.306   0.051  1.00  0.00           C  
HETATM   10  C   UNL     1       4.075  -0.558  -1.095  1.00  0.00           C  
HETATM   11  C   UNL     1       2.897   0.149  -1.233  1.00  0.00           C  
HETATM   12  O   UNL     1       5.463  -2.003   0.188  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.454   0.079   0.131  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.909   1.140  -1.164  1.00  0.00           O  
HETATM   15  S   UNL     1      -5.545  -0.989   0.270  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.590  -2.016  -0.089  1.00  0.00           C  
HETATM   17  C   UNL     1       0.748   2.172   0.387  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.037   2.399   1.277  1.00  0.00           O  
HETATM   19  H   UNL     1      -4.287   0.971  -0.339  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.097  -0.331  -1.538  1.00  0.00           H  
HETATM   21  HXT UNL     1       1.717   3.883   0.609  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.933  -0.390   1.282  1.00  0.00           H  
HETATM   23  HA  UNL     1       0.491   1.099  -1.439  1.00  0.00           H  
HETATM   24  H   UNL     1       1.428  -0.659   1.696  1.00  0.00           H  
HETATM   25  H   UNL     1       3.525  -1.923   1.949  1.00  0.00           H  
HETATM   26  H   UNL     1       4.818  -0.529  -1.879  1.00  0.00           H  
HETATM   27  H   UNL     1       2.716   0.729  -2.126  1.00  0.00           H  
HETATM   28  H   UNL     1       5.422  -2.906  -0.154  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.290  -0.603   0.802  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.603  -0.515  -0.413  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.418  -2.612   0.295  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.505  -2.163  -1.166  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.664  -2.326   0.394  1.00  0.00           H  
CONECT    1    3   15   19   20                                       
CONECT    2   17   21                                                 
CONECT    3    4   16    1   22                                       
CONECT    4   14   14   13    3                                       
CONECT    5    6   17   13   23                                       
CONECT    6    7    7   11    5                                       
CONECT    7    8    6    6   24                                       
CONECT    8    9    9    7   25                                       
CONECT    9   12    8    8   10                                       
CONECT   10    9   11   11   26                                       
CONECT   11   10   10    6   27                                       
CONECT   12    9   28                                                 
CONECT   13    5    4   29                                            
CONECT   14    4    4                                                 
CONECT   15    1   30                                                 
CONECT   16    3   31   32   33                                       
CONECT   17    5   18   18    2                                       
CONECT   18   17   17                                                 
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
