COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.446  -0.497   2.254  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.700   0.147   3.244  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.415  -1.193   1.640  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.041  -0.519   1.710  1.00  0.00           C  
HETATM    5  C   UNL     1       0.860   0.349   2.589  1.00  0.00           C  
HETATM    6  O   UNL     1       2.192   0.327   2.073  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.039   0.026   0.281  1.00  0.00           C  
HETATM    8  S   UNL     1       1.628  -0.131  -0.498  1.00  0.00           S  
HETATM    9  C   UNL     1       1.051  -0.330  -2.239  1.00  0.00           C  
HETATM   10  C   UNL     1       1.788  -1.477  -2.934  1.00  0.00           C  
HETATM   11  C   UNL     1       1.213   0.974  -3.022  1.00  0.00           C  
HETATM   12  CA  UNL     1      -0.441  -0.673  -2.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.270   0.437  -2.631  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.680   1.327  -1.924  1.00  0.00           O  
HETATM   15  OXT UNL     1      -1.553   0.437  -3.943  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.826  -0.848  -0.637  1.00  0.00           N  
HETATM   17  C   UNL     1       0.858  -0.197   4.018  1.00  0.00           C  
HETATM   18  C   UNL     1       0.337   1.787   2.592  1.00  0.00           C  
HETATM   19  H   UNL     1      -3.317  -1.178   1.989  1.00  0.00           H  
HETATM   20  H   UNL     1       0.330  -1.543   1.708  1.00  0.00           H  
HETATM   21  H   UNL     1       2.483  -0.594   2.088  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.396   1.056   0.252  1.00  0.00           H  
HETATM   23  H   UNL     1       2.837  -1.209  -3.062  1.00  0.00           H  
HETATM   24  H   UNL     1       1.715  -2.377  -2.324  1.00  0.00           H  
HETATM   25  H   UNL     1       1.338  -1.660  -3.909  1.00  0.00           H  
HETATM   26  H   UNL     1       2.273   1.192  -3.149  1.00  0.00           H  
HETATM   27  H   UNL     1       0.743   0.871  -4.001  1.00  0.00           H  
HETATM   28  H   UNL     1       0.737   1.788  -2.475  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.662  -1.595  -2.578  1.00  0.00           H  
HETATM   30  HXT UNL     1      -2.085   1.150  -4.323  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.789  -0.555  -0.562  1.00  0.00           H  
HETATM   32  H   UNL     1       1.500   0.421   4.645  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.158  -0.181   4.412  1.00  0.00           H  
HETATM   34  H   UNL     1       1.230  -1.221   4.016  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.679   1.803   2.986  1.00  0.00           H  
HETATM   36  H   UNL     1       0.979   2.405   3.219  1.00  0.00           H  
HETATM   37  H   UNL     1       0.338   2.176   1.574  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   19                                                 
CONECT    4    1    5    7   20                                       
CONECT    5    4    6   17   18                                       
CONECT    6    5   21                                                 
CONECT    7    4    8   16   22                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9   23   24   25                                       
CONECT   11    9   26   27   28                                       
CONECT   12    9   13   16   29                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   30                                                 
CONECT   16    7   12   31                                            
CONECT   17    5   32   33   34                                       
CONECT   18    5   35   36   37                                       
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
