COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       4.335   0.152   7.165  1.00  0.00           C  
HETATM    2  O   UNK A   1       5.586   0.036   6.693  1.00  0.00           O  
HETATM    3  O   UNK A   1       4.105   0.892   8.093  1.00  0.00           O  
HETATM    4  N   UNK A   1       2.196  -0.932   7.555  1.00  0.00           N  
HETATM    5  C   UNK A   1       3.216  -0.640   6.540  1.00  0.00           C  
HETATM    6  C   UNK A   1       2.589   0.171   5.404  1.00  0.00           C  
HETATM    7  C   UNK A   1      -1.334  -0.521   0.789  1.00  0.00           C  
HETATM    8  S   UNK A   1       0.021  -1.532   0.132  1.00  0.00           S  
HETATM    9  C   UNK A   1       1.454  -0.633   4.769  1.00  0.00           C  
HETATM   10  C   UNK A   1       0.836   0.165   3.651  1.00  0.00           C  
HETATM   11  O   UNK A   1       1.262   1.270   3.388  1.00  0.00           O  
HETATM   12  N   UNK A   1      -0.189  -0.347   2.943  1.00  0.00           N  
HETATM   13  C   UNK A   1      -0.790   0.430   1.856  1.00  0.00           C  
HETATM   14  C   UNK A   1      -1.916   1.269   2.401  1.00  0.00           C  
HETATM   15  O   UNK A   1      -2.187   2.331   1.882  1.00  0.00           O  
ATOM     16  N   GLY A   2      -2.622   0.840   3.466  1.00  0.00           N  
ATOM     17  CA  GLY A   2      -3.717   1.656   3.997  1.00  0.00           C  
ATOM     18  C   GLY A   2      -4.338   0.956   5.178  1.00  0.00           C  
ATOM     19  O   GLY A   2      -3.911  -0.113   5.539  1.00  0.00           O  
ATOM     20  OXT GLY A   2      -5.367   1.522   5.828  1.00  0.00           O  
HETATM   21  N   UNK A   1      -1.636  -1.672  -1.975  1.00  0.00           N  
HETATM   22  O   UNK A   1      -3.002  -1.394  -1.730  1.00  0.00           O  
HETATM   23  C   UNK A   1      -0.891  -2.545  -1.063  1.00  0.00           C  
HETATM   24  O   UNK A   1      -1.804  -3.397  -0.368  1.00  0.00           O  
HETATM   25  C   UNK A   1      -0.997  -1.115  -3.085  1.00  0.00           C  
HETATM   26  C   UNK A   1      -1.724  -0.369  -4.004  1.00  0.00           C  
HETATM   27  C   UNK A   1       0.366  -1.301  -3.270  1.00  0.00           C  
HETATM   28  C   UNK A   1      -1.091   0.180  -5.101  1.00  0.00           C  
HETATM   29  C   UNK A   1       0.993  -0.754  -4.372  1.00  0.00           C  
HETATM   30  C   UNK A   1       0.266  -0.011  -5.286  1.00  0.00           C  
HETATM   31  I   UNK A   1       1.223   0.823  -6.951  1.00  0.00           I  
HETATM   32  H   UNK A   1       6.303   0.545   7.094  1.00  0.00           H  
HETATM   33  H   UNK A   1       1.860  -0.043   7.892  1.00  0.00           H  
HETATM   34  H   UNK A   1       1.424  -1.369   7.073  1.00  0.00           H  
HETATM   35  H   UNK A   1       3.612  -1.575   6.142  1.00  0.00           H  
HETATM   36  H   UNK A   1       2.194   1.106   5.802  1.00  0.00           H  
HETATM   37  H   UNK A   1       3.347   0.388   4.651  1.00  0.00           H  
HETATM   38  H   UNK A   1      -2.089  -1.170   1.232  1.00  0.00           H  
HETATM   39  H   UNK A   1      -1.781   0.056  -0.019  1.00  0.00           H  
HETATM   40  H   UNK A   1       1.849  -1.568   4.372  1.00  0.00           H  
HETATM   41  H   UNK A   1       0.696  -0.850   5.522  1.00  0.00           H  
HETATM   42  H   UNK A   1      -0.530  -1.230   3.153  1.00  0.00           H  
HETATM   43  H   UNK A   1      -0.034   1.079   1.413  1.00  0.00           H  
ATOM     44  H   GLY A   2      -2.405  -0.009   3.882  1.00  0.00           H  
ATOM     45  HA1 GLY A   2      -3.328   2.625   4.311  1.00  0.00           H  
ATOM     46  HA2 GLY A   2      -4.470   1.801   3.222  1.00  0.00           H  
ATOM     47  HXT GLY A   2      -5.766   1.073   6.586  1.00  0.00           H  
HETATM   48  H   UNK A   1      -3.224  -1.804  -0.883  1.00  0.00           H  
HETATM   49  H   UNK A   1      -0.190  -3.153  -1.635  1.00  0.00           H  
HETATM   50  H   UNK A   1      -2.321  -2.830   0.220  1.00  0.00           H  
HETATM   51  H   UNK A   1      -2.784  -0.219  -3.861  1.00  0.00           H  
HETATM   52  H   UNK A   1       0.934  -1.880  -2.557  1.00  0.00           H  
HETATM   53  H   UNK A   1      -1.655   0.760  -5.816  1.00  0.00           H  
HETATM   54  H   UNK A   1       2.053  -0.902  -4.519  1.00  0.00           H  
CONECT    1    2    3    3    5                                       
CONECT    2    1   32                                                 
CONECT    3    1    1                                                 
CONECT    4    5   33   34                                            
CONECT    5    1    4    6   35                                       
CONECT    6    5    9   36   37                                       
CONECT    7    8   13   38   39                                       
CONECT    8    7   23                                                 
CONECT    9    6   10   40   41                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   42                                            
CONECT   13    7   12   14   43                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   44                                            
CONECT   17   16   18   45   46                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   47                                                 
CONECT   21   22   23   25                                            
CONECT   22   21   48                                                 
CONECT   23    8   21   24   49                                       
CONECT   24   23   50                                                 
CONECT   25   21   26   26   27                                       
CONECT   26   25   25   28   51                                       
CONECT   27   25   29   29   52                                       
CONECT   28   26   30   30   53                                       
CONECT   29   27   27   30   54                                       
CONECT   30   28   28   29   31                                       
CONECT   31   30                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
