COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1       3.105  -1.492   6.040  1.00  0.00           N  
HETATM    2  C   UNK A   1       3.770  -0.647   5.040  1.00  0.00           C  
HETATM    3  C   UNK A   1       4.877   0.134   5.700  1.00  0.00           C  
HETATM    4  O   UNK A   1       4.784   0.448   6.863  1.00  0.00           O  
HETATM    5  O   UNK A   1       5.965   0.482   4.996  1.00  0.00           O  
HETATM    6  C   UNK A   1       2.753   0.321   4.433  1.00  0.00           C  
HETATM    7  C   UNK A   1       1.630  -0.473   3.763  1.00  0.00           C  
HETATM    8  C   UNK A   1       0.629   0.480   3.164  1.00  0.00           C  
HETATM    9  O   UNK A   1       0.796   1.677   3.264  1.00  0.00           O  
HETATM   10  N   UNK A   1      -0.453   0.003   2.518  1.00  0.00           N  
HETATM   11  C   UNK A   1      -1.427   0.930   1.937  1.00  0.00           C  
HETATM   12  C   UNK A   1      -2.489   1.249   2.957  1.00  0.00           C  
HETATM   13  O   UNK A   1      -3.045   2.326   2.937  1.00  0.00           O  
HETATM   14  C   UNK A   1      -2.075   0.285   0.710  1.00  0.00           C  
HETATM   15  S   UNK A   1      -0.797  -0.097  -0.517  1.00  0.00           S  
ATOM     16  N   GLY A   2      -2.820   0.336   3.892  1.00  0.00           N  
ATOM     17  CA  GLY A   2      -3.853   0.646   4.884  1.00  0.00           C  
ATOM     18  C   GLY A   2      -4.032  -0.531   5.807  1.00  0.00           C  
ATOM     19  O   GLY A   2      -3.366  -1.527   5.652  1.00  0.00           O  
ATOM     20  OXT GLY A   2      -4.932  -0.474   6.802  1.00  0.00           O  
HETATM   21  C   UNK A   1      -1.823  -0.829  -1.822  1.00  0.00           C  
HETATM   22  C   UNK A   1      -0.949  -1.235  -2.980  1.00  0.00           C  
HETATM   23  C   UNK A   1      -0.700  -0.342  -4.005  1.00  0.00           C  
HETATM   24  C   UNK A   1       0.106  -0.713  -5.065  1.00  0.00           C  
HETATM   25  I   UNK A   1       0.491   0.642  -6.615  1.00  0.00           I  
HETATM   26  C   UNK A   1       0.655  -1.982  -5.105  1.00  0.00           C  
HETATM   27  C   UNK A   1       0.401  -2.877  -4.083  1.00  0.00           C  
HETATM   28  C   UNK A   1      -0.400  -2.504  -3.021  1.00  0.00           C  
HETATM   29  H   UNK A   1       2.312  -1.915   5.581  1.00  0.00           H  
HETATM   30  H   UNK A   1       2.735  -0.872   6.744  1.00  0.00           H  
HETATM   31  H   UNK A   1       4.189  -1.275   4.254  1.00  0.00           H  
HETATM   32  H   UNK A   1       6.675   0.984   5.419  1.00  0.00           H  
HETATM   33  H   UNK A   1       2.335   0.949   5.219  1.00  0.00           H  
HETATM   34  H   UNK A   1       3.247   0.948   3.691  1.00  0.00           H  
HETATM   35  H   UNK A   1       2.049  -1.101   2.976  1.00  0.00           H  
HETATM   36  H   UNK A   1       1.136  -1.100   4.505  1.00  0.00           H  
HETATM   37  H   UNK A   1      -0.587  -0.953   2.439  1.00  0.00           H  
HETATM   38  H   UNK A   1      -0.921   1.849   1.640  1.00  0.00           H  
HETATM   39  H   UNK A   1      -2.581  -0.632   1.007  1.00  0.00           H  
HETATM   40  H   UNK A   1      -2.800   0.975   0.277  1.00  0.00           H  
ATOM     41  H   GLY A   2      -2.375  -0.524   3.908  1.00  0.00           H  
ATOM     42  HA1 GLY A   2      -3.550   1.519   5.464  1.00  0.00           H  
ATOM     43  HA2 GLY A   2      -4.794   0.856   4.376  1.00  0.00           H  
ATOM     44  HXT GLY A   2      -5.047  -1.229   7.394  1.00  0.00           H  
HETATM   45  H   UNK A   1      -2.338  -1.706  -1.430  1.00  0.00           H  
HETATM   46  H   UNK A   1      -2.557  -0.097  -2.160  1.00  0.00           H  
HETATM   47  H   UNK A   1      -1.128   0.648  -3.974  1.00  0.00           H  
HETATM   48  H   UNK A   1       1.282  -2.273  -5.935  1.00  0.00           H  
HETATM   49  H   UNK A   1       0.829  -3.868  -4.114  1.00  0.00           H  
HETATM   50  H   UNK A   1      -0.599  -3.203  -2.222  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    1    3    6   31                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   32                                                 
CONECT    6    2    7   33   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   37                                            
CONECT   11   10   12   14   38                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   39   40                                       
CONECT   15   14   21                                                 
CONECT   16   12   17   41                                            
CONECT   17   16   18   42   43                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   44                                                 
CONECT   21   15   22   45   46                                       
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   48                                       
CONECT   27   26   28   28   49                                       
CONECT   28   22   27   27   50                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
