COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       2.509   0.372   3.526  1.00  0.00           C  
HETATM    2  C   UNK A   1       1.516  -0.441   2.694  1.00  0.00           C  
HETATM    3  C   UNK A   1       0.553   0.492   2.008  1.00  0.00           C  
HETATM    4  O   UNK A   1       0.651   1.690   2.168  1.00  0.00           O  
HETATM    5  C   UNK A   1       4.466   0.226   5.043  1.00  0.00           C  
HETATM    6  O   UNK A   1       4.215   0.490   6.195  1.00  0.00           O  
HETATM    7  O   UNK A   1       5.615   0.647   4.493  1.00  0.00           O  
HETATM    8  N   UNK A   1       2.744  -1.486   5.103  1.00  0.00           N  
HETATM    9  C   UNK A   1       3.488  -0.575   4.223  1.00  0.00           C  
HETATM   10  N   UNK A   1      -0.417  -0.004   1.215  1.00  0.00           N  
HETATM   11  C   UNK A   1      -1.354   0.902   0.548  1.00  0.00           C  
HETATM   12  C   UNK A   1      -1.814   0.280  -0.771  1.00  0.00           C  
HETATM   13  S   UNK A   1      -0.377   0.000  -1.842  1.00  0.00           S  
HETATM   14  C   UNK A   1      -2.548   1.135   1.437  1.00  0.00           C  
HETATM   15  O   UNK A   1      -3.147   2.188   1.384  1.00  0.00           O  
HETATM   16  C   UNK A   1       1.489   0.548  -7.261  1.00  0.00           C  
HETATM   17  C   UNK A   1       0.888   1.769  -7.243  1.00  0.00           C  
HETATM   18  C   UNK A   1      -0.065   2.086  -6.278  1.00  0.00           C  
HETATM   19  C   UNK A   1      -0.423   1.184  -5.324  1.00  0.00           C  
HETATM   20  C   UNK A   1       0.170  -0.089  -5.313  1.00  0.00           C  
HETATM   21  C   UNK A   1       1.144  -0.409  -6.292  1.00  0.00           C  
HETATM   22  C   UNK A   1       1.743  -1.680  -6.278  1.00  0.00           C  
HETATM   23  C   UNK A   1       1.385  -2.583  -5.324  1.00  0.00           C  
HETATM   24  C   UNK A   1       0.431  -2.266  -4.359  1.00  0.00           C  
HETATM   25  C   UNK A   1      -0.169  -1.045  -4.341  1.00  0.00           C  
HETATM   26  C   UNK A   1      -1.198  -0.722  -3.289  1.00  0.00           C  
ATOM     27  N   GLY A   2      -2.949   0.173   2.292  1.00  0.00           N  
ATOM     28  CA  GLY A   2      -4.110   0.399   3.156  1.00  0.00           C  
ATOM     29  C   GLY A   2      -4.347  -0.820   4.009  1.00  0.00           C  
ATOM     30  O   GLY A   2      -3.620  -1.780   3.905  1.00  0.00           O  
ATOM     31  OXT GLY A   2      -5.364  -0.840   4.884  1.00  0.00           O  
HETATM   32  H   UNK A   1       1.968   0.950   4.275  1.00  0.00           H  
HETATM   33  H   UNK A   1       3.061   1.049   2.874  1.00  0.00           H  
HETATM   34  H   UNK A   1       2.058  -1.019   1.946  1.00  0.00           H  
HETATM   35  H   UNK A   1       0.964  -1.117   3.347  1.00  0.00           H  
HETATM   36  H   UNK A   1       6.243   1.162   5.019  1.00  0.00           H  
HETATM   37  H   UNK A   1       2.261  -0.910   5.776  1.00  0.00           H  
HETATM   38  H   UNK A   1       2.035  -1.924   4.533  1.00  0.00           H  
HETATM   39  H   UNK A   1       4.029  -1.153   3.475  1.00  0.00           H  
HETATM   40  H   UNK A   1      -0.495  -0.962   1.087  1.00  0.00           H  
HETATM   41  H   UNK A   1      -0.859   1.853   0.348  1.00  0.00           H  
HETATM   42  H   UNK A   1      -2.309  -0.670  -0.571  1.00  0.00           H  
HETATM   43  H   UNK A   1      -2.511   0.955  -1.267  1.00  0.00           H  
HETATM   44  H   UNK A   1       2.227   0.317  -8.015  1.00  0.00           H  
HETATM   45  H   UNK A   1       1.154   2.504  -7.989  1.00  0.00           H  
HETATM   46  H   UNK A   1      -0.526   3.063  -6.286  1.00  0.00           H  
HETATM   47  H   UNK A   1      -1.163   1.444  -4.582  1.00  0.00           H  
HETATM   48  H   UNK A   1       2.484  -1.939  -7.019  1.00  0.00           H  
HETATM   49  H   UNK A   1       1.847  -3.559  -5.315  1.00  0.00           H  
HETATM   50  H   UNK A   1       0.165  -3.000  -3.613  1.00  0.00           H  
HETATM   51  H   UNK A   1      -1.716  -1.634  -2.995  1.00  0.00           H  
HETATM   52  H   UNK A   1      -1.918  -0.009  -3.691  1.00  0.00           H  
ATOM     53  H   GLY A   2      -2.469  -0.668   2.334  1.00  0.00           H  
ATOM     54  HA1 GLY A   2      -3.923   1.260   3.798  1.00  0.00           H  
ATOM     55  HA2 GLY A   2      -4.990   0.589   2.541  1.00  0.00           H  
ATOM     56  HXT GLY A   2      -5.516  -1.623   5.431  1.00  0.00           H  
CONECT    1    2    9   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    6    6    7    9                                       
CONECT    6    5    5                                                 
CONECT    7    5   36                                                 
CONECT    8    9   37   38                                            
CONECT    9    1    5    8   39                                       
CONECT   10    3   11   40                                            
CONECT   11   10   12   14   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   26                                                 
CONECT   14   11   15   15   27                                       
CONECT   15   14   14                                                 
CONECT   16   17   17   21   44                                       
CONECT   17   16   16   18   45                                       
CONECT   18   17   19   19   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   25                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24   49                                       
CONECT   24   23   25   25   50                                       
CONECT   25   20   24   24   26                                       
CONECT   26   13   25   51   52                                       
CONECT   27   14   28   53                                            
CONECT   28   27   29   54   55                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   56                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
