COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      23.724  -6.425   7.407  1.00  0.00           C  
HETATM    2  O   UNK A   1      23.463  -3.580   9.391  1.00  0.00           O  
HETATM    3  O   UNK A   1      23.774  -9.465   6.639  1.00  0.00           O  
HETATM    4  N   UNK A   1      22.828  -4.151   7.115  1.00  0.00           N  
HETATM    5  C   UNK A   1      23.795  -5.028   6.704  1.00  0.00           C  
ATOM      6  N   GLY A   2      25.710  -4.571   5.493  1.00  0.00           N  
ATOM      7  CA  GLY A   2      26.618  -3.983   4.102  1.00  0.00           C  
ATOM      8  O   GLY A   2      27.796  -2.269   2.918  1.00  0.00           O  
HETATM    9  N   UNK A   1      19.781  -0.820  11.414  1.00  0.00           N  
HETATM   10  C   UNK A   1      19.944  -1.742  10.281  1.00  0.00           C  
HETATM   11  C   UNK A   1      18.549  -2.739  10.345  1.00  0.00           C  
HETATM   12  O   UNK A   1      18.389  -3.276   9.269  1.00  0.00           O  
HETATM   13  C   UNK A   1      21.086  -2.720  10.087  1.00  0.00           C  
HETATM   14  C   UNK A   1      21.314  -2.819   8.575  1.00  0.00           C  
HETATM   15  C   UNK A   1      22.527  -3.871   8.622  1.00  0.00           C  
HETATM   16  O   UNK A   1      18.575  -3.500  11.340  1.00  0.00           O  
HETATM   17  S   UNK A   1      23.125  -7.076   8.301  1.00  0.00           S  
HETATM   18  C   UNK A   1      24.687  -4.531   5.567  1.00  0.00           C  
HETATM   19  O   UNK A   1      23.965  -4.047   4.669  1.00  0.00           O  
ATOM     20  C   GLY A   2      27.186  -2.564   3.929  1.00  0.00           C  
ATOM     21  OXT GLY A   2      27.005  -1.750   4.830  1.00  0.00           O  
HETATM   22  C   UNK A   1      24.193  -8.404   8.463  1.00  0.00           C  
HETATM   23  C   UNK A   1      24.862  -9.366   7.225  1.00  0.00           C  
HETATM   24  N   UNK A   1      25.816  -9.734   7.258  1.00  0.00           N  
HETATM   25  C   UNK A   1      26.261 -10.591   5.822  1.00  0.00           C  
HETATM   26  C   UNK A   1      27.913 -10.516   5.612  1.00  0.00           C  
HETATM   27  C   UNK A   1      28.604  -9.763   6.373  1.00  0.00           C  
HETATM   28  C   UNK A   1      29.897  -9.928   5.891  1.00  0.00           C  
HETATM   29  C   UNK A   1      29.864 -10.682   4.817  1.00  0.00           C  
HETATM   30  C   UNK A   1      28.598 -10.938   4.624  1.00  0.00           C  
HETATM   31  C   UNK A   1      28.237  -7.117   4.206  1.00  0.00           C  
HETATM   32  C   UNK A   1      28.122  -7.846   3.113  1.00  0.00           C  
HETATM   33  C   UNK A   1      29.347  -8.161   2.633  1.00  0.00           C  
HETATM   34  C   UNK A   1      30.177  -7.600   3.485  1.00  0.00           C  
HETATM   35  C   UNK A   1      29.524  -6.960   4.441  1.00  0.00           C  
HETATM   36 FE   UNK A   1      29.080  -8.984   4.522  1.00  0.00          Fe  
HETATM   37  H   UNK A   1      24.465  -7.069   6.957  1.00  0.00           H  
HETATM   38  H   UNK A   1      23.122  -3.440  10.267  1.00  0.00           H  
HETATM   39  H   UNK A   1      23.066  -3.267   6.712  1.00  0.00           H  
ATOM     40  H   GLY A   2      26.222  -4.967   6.255  1.00  0.00           H  
ATOM     41  HA1 GLY A   2      25.954  -4.135   3.238  1.00  0.00           H  
ATOM     42  HA2 GLY A   2      27.486  -4.653   4.020  1.00  0.00           H  
HETATM   43  H   UNK A   1      18.943  -0.288  11.294  1.00  0.00           H  
HETATM   44  H   UNK A   1      19.724  -1.344  12.264  1.00  0.00           H  
HETATM   45  H   UNK A   1      19.845  -1.161   9.352  1.00  0.00           H  
HETATM   46  H   UNK A   1      21.994  -2.350  10.586  1.00  0.00           H  
HETATM   47  H   UNK A   1      20.818  -3.705  10.497  1.00  0.00           H  
HETATM   48  H   UNK A   1      20.436  -3.214   8.043  1.00  0.00           H  
HETATM   49  H   UNK A   1      21.610  -1.857   8.131  1.00  0.00           H  
HETATM   50  H   UNK A   1      22.061  -4.799   8.985  1.00  0.00           H  
HETATM   51  H   UNK A   1      18.459  -4.399  11.055  1.00  0.00           H  
ATOM     52  HXT GLY A   2      27.404  -0.921   4.593  1.00  0.00           H  
HETATM   53  H   UNK A   1      25.062  -7.999   9.002  1.00  0.00           H  
HETATM   54  H   UNK A   1      23.658  -9.115   9.111  1.00  0.00           H  
HETATM   55  H   UNK A   1      26.428  -9.611   8.039  1.00  0.00           H  
HETATM   56  H   UNK A   1      25.761 -10.135   4.955  1.00  0.00           H  
HETATM   57  H   UNK A   1      25.951 -11.643   5.913  1.00  0.00           H  
HETATM   58  H   UNK A   1      27.191  -8.324   2.773  1.00  0.00           H  
CONECT    1    5    5   17   37                                       
CONECT    2   15   38                                                 
CONECT    3   23   23                                                 
CONECT    4    5   15   39                                            
CONECT    5    1    1    4   18                                       
CONECT    6   18    7   40                                            
CONECT    7   20    6   41   42                                       
CONECT    8   20   20                                                 
CONECT    9   10   43   44                                            
CONECT   10    9   13   11   45                                       
CONECT   11   12   12   16   10                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   46   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15    2    4   14   50                                       
CONECT   16   11   51                                                 
CONECT   17    1   22                                                 
CONECT   18    5    6   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    7    8    8   21                                       
CONECT   21   20   52                                                 
CONECT   22   17   23   53   54                                       
CONECT   23    3    3   24   22                                       
CONECT   24   23   25   55                                            
CONECT   25   26   24   56   57                                       
CONECT   26   25   27   30   36                                       
CONECT   27   26   28   28   36                                       
CONECT   28   27   27   29   36                                       
CONECT   29   28   30   30   36                                       
CONECT   30   26   29   29   36                                       
CONECT   31   32   35   35   36                                       
CONECT   32   31   33   36   58                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33   35   36                                       
CONECT   35   31   31   34   36                                       
CONECT   36   26   27   28   29                                       
CONECT   36   30   31   32   33                                       
CONECT   36   34   35                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
