COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.305  -2.234   2.488  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.225  -2.209   0.981  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.330  -1.180   1.106  1.00  0.00           C  
HETATM    4  CA  UNL     1      -3.582  -1.492   1.536  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.047  -2.704   1.970  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.332  -3.029   2.412  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.839  -2.981   3.663  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.143  -2.572   4.851  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.184  -3.413   3.563  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.016   0.195   0.671  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.838   0.658   0.224  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.699   2.087  -0.171  1.00  0.00           C  
HETATM   13  N   UNL     1       0.572   2.392  -0.601  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.619   2.897  -0.116  1.00  0.00           O  
HETATM   15  O   UNL     1      -5.660  -2.547   5.982  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.620  -0.424   1.558  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.613   0.192   2.764  1.00  0.00           O  
HETATM   18  OXT UNL     1      -5.375  -0.147   0.641  1.00  0.00           O  
HETATM   19  O   UNL     1       0.386  -0.966   2.623  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.164  -2.741   3.541  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.426  -3.704   2.238  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.558  -4.172   1.510  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.258  -3.460   1.521  1.00  0.00           N  
HETATM   24  C   UNL     1      -8.462  -4.359   0.179  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.156  -3.653   0.143  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.225  -4.095  -0.538  1.00  0.00           C  
HETATM   27  H   UNL     1       0.660  -3.159   2.328  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.537  -2.003   0.157  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.589  -3.226   0.814  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.361  -3.443   1.962  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.072  -2.257   4.755  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.900  -3.502   4.369  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.835   0.906   0.726  1.00  0.00           H  
HETATM   34  H   UNL     1       0.043   0.033   0.134  1.00  0.00           H  
HETATM   35  H   UNL     1       1.283   1.667  -0.619  1.00  0.00           H  
HETATM   36  H   UNL     1       0.806   3.333  -0.901  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.294   0.896   2.821  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.487  -4.372   2.032  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.311  -4.714  -0.394  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.211  -3.441  -0.342  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.194  -4.259  -1.608  1.00  0.00           H  
CONECT    1    2   19   19   20                                       
CONECT    1   20   27                                                 
CONECT    2    1    3   28   29                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   16                                       
CONECT    5    4    6   30                                            
CONECT    6    5    7    7   23                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   15   15   31                                       
CONECT    9    7   21   21   32                                       
CONECT   10    3   11   11   33                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   35   36                                            
CONECT   14   12   12                                                 
CONECT   15    8    8                                                 
CONECT   16    4   17   18   18                                       
CONECT   17   16   37                                                 
CONECT   18   16   16                                                 
CONECT   19    1    1                                                 
CONECT   20    1    1                                                 
CONECT   21    9    9   22   23                                       
CONECT   22   21   24   24   38                                       
CONECT   23    6   21   25                                            
CONECT   24   22   22   26   39                                       
CONECT   25   23   26   26   40                                       
CONECT   26   24   25   25   41                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
