COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNK A   0       5.130  -2.520   0.687  1.00  0.00           N  
HETATM    2  C   UNK A   0       5.410  -2.900  -0.542  1.00  0.00           C  
HETATM    3  N   UNK A   0       5.634  -4.229  -0.796  1.00  0.00           N  
HETATM    4  N   UNK A   0       5.480  -2.008  -1.567  1.00  0.00           N  
HETATM    5  C   UNK A   0       5.265  -0.694  -1.339  1.00  0.00           C  
HETATM    6  O   UNK A   0       5.328   0.117  -2.251  1.00  0.00           O  
HETATM    7  C   UNK A   0       4.968  -0.282  -0.035  1.00  0.00           C  
HETATM    8  N   UNK A   0       4.737   1.077   0.258  1.00  0.00           N  
HETATM    9  C   UNK A   0       4.091   1.420   1.535  1.00  0.00           C  
HETATM   10  C   UNK A   0       4.738   0.571   2.639  1.00  0.00           C  
HETATM   11  N   UNK A   0       4.606  -0.846   2.270  1.00  0.00           N  
HETATM   12  C   UNK A   0       4.904  -1.234   0.975  1.00  0.00           C  
HETATM   13  C   UNK A   0       2.594   1.112   1.456  1.00  0.00           C  
HETATM   14  N   UNK A   0       2.012   1.807   0.306  1.00  0.00           N  
HETATM   15  C   UNK A   0      -2.047   1.418  -0.526  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.237   2.213  -1.344  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.105   2.339  -1.066  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.656   1.678   0.028  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.148   0.886   0.844  1.00  0.00           C  
HETATM   20  C   UNK A   0      -1.490   0.755   0.571  1.00  0.00           C  
HETATM   21  C   UNK A   0      -3.487   1.285  -0.818  1.00  0.00           C  
HETATM   22  O   UNK A   0      -3.971   1.867  -1.770  1.00  0.00           O  
ATOM     23  N   GLU A   1      -4.266   0.519  -0.029  1.00  0.00           N  
ATOM     24  CA  GLU A   1      -5.696   0.387  -0.318  1.00  0.00           C  
ATOM     25  CB  GLU A   1      -6.214  -0.932   0.260  1.00  0.00           C  
ATOM     26  CG  GLU A   1      -5.545  -2.103  -0.463  1.00  0.00           C  
ATOM     27  CD  GLU A   1      -6.055  -3.401   0.106  1.00  0.00           C  
ATOM     28  OE1 GLU A   1      -6.869  -3.391   0.998  1.00  0.00           O  
ATOM     29  OE2 GLU A   1      -5.604  -4.569  -0.378  1.00  0.00           O  
ATOM     30  C   GLU A   1      -6.443   1.537   0.306  1.00  0.00           C  
ATOM     31  O   GLU A   1      -5.843   2.380   0.929  1.00  0.00           O  
ATOM     32  OXT GLU A   1      -7.776   1.625   0.171  1.00  0.00           O  
HETATM   33  C   UNK A   0       5.101   2.041  -0.611  1.00  0.00           C  
HETATM   34  O   UNK A   0       4.808   3.198  -0.391  1.00  0.00           O  
HETATM   35  H   UNK A   0       5.587  -4.875  -0.075  1.00  0.00           H  
HETATM   36  H   UNK A   0       5.841  -4.522  -1.697  1.00  0.00           H  
HETATM   37  H   UNK A   0       4.238   2.478   1.750  1.00  0.00           H  
HETATM   38  H   UNK A   0       5.792   0.831   2.731  1.00  0.00           H  
HETATM   39  H   UNK A   0       2.450   0.037   1.342  1.00  0.00           H  
HETATM   40  H   UNK A   0       2.105   1.449   2.370  1.00  0.00           H  
HETATM   41  H   UNK A   0       2.573   2.358  -0.263  1.00  0.00           H  
HETATM   42  H   UNK A   0      -1.664   2.726  -2.193  1.00  0.00           H  
HETATM   43  H   UNK A   0       0.731   2.953  -1.697  1.00  0.00           H  
HETATM   44  H   UNK A   0       0.283   0.374   1.692  1.00  0.00           H  
HETATM   45  H   UNK A   0      -2.113   0.141   1.205  1.00  0.00           H  
ATOM     46  H   GLU A   1      -3.880   0.055   0.730  1.00  0.00           H  
ATOM     47  HA  GLU A   1      -5.851   0.396  -1.397  1.00  0.00           H  
ATOM     48  HB1 GLU A   1      -5.979  -0.979   1.323  1.00  0.00           H  
ATOM     49  HB2 GLU A   1      -7.293  -0.989   0.123  1.00  0.00           H  
ATOM     50  HG1 GLU A   1      -5.779  -2.055  -1.526  1.00  0.00           H  
ATOM     51  HG2 GLU A   1      -4.465  -2.045  -0.326  1.00  0.00           H  
ATOM     52  HE2 GLU A   1      -5.960  -5.376   0.019  1.00  0.00           H  
ATOM     53  HXT GLU A   1      -8.211   2.380   0.589  1.00  0.00           H  
HETATM   54  H   UNK A   0       5.652   1.784  -1.503  1.00  0.00           H  
HETATM   55  H   UNK A   0       5.686  -2.316  -2.464  1.00  0.00           H  
HETATM   56  H   UNK A   0       4.230   0.752   3.587  1.00  0.00           H  
HETATM   57  H   UNK A   0       4.315  -1.500   2.925  1.00  0.00           H  
CONECT    1    2    2   12                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   35   36                                            
CONECT    4    2    5   55                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   12   12                                       
CONECT    8    7    9   33                                            
CONECT    9    8   10   13   37                                       
CONECT   10    9   11   38   56                                       
CONECT   11   10   12   57                                            
CONECT   12    1    7    7   11                                       
CONECT   13    9   14   39   40                                       
CONECT   14   13   18   41                                            
CONECT   15   16   16   20   21                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   18   43                                       
CONECT   18   14   17   17   19                                       
CONECT   19   18   20   20   44                                       
CONECT   20   15   19   19   45                                       
CONECT   21   15   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   46                                            
CONECT   24   23   25   30   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   27   50   51                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   52                                                 
CONECT   30   24   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   53                                                 
CONECT   33    8   34   34   54                                       
CONECT   34   33   33                                                 
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55    4                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
