COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  C   GLU A   1      -6.544  -0.814  -1.748  1.00  0.00           C  
ATOM      2  N   GLU A   1      -4.654  -0.502  -0.259  1.00  0.00           N  
ATOM      3  OXT GLU A   1      -7.842  -0.770  -2.088  1.00  0.00           O  
HETATM    4  N   UNK A   0       3.632   2.914  -0.552  1.00  0.00           N  
HETATM    5  C   UNK A   0       4.865   3.473  -0.699  1.00  0.00           C  
HETATM    6  N   UNK A   0       5.960   2.760  -0.584  1.00  0.00           N  
HETATM    7  C   UNK A   0       5.918   1.438  -0.314  1.00  0.00           C  
HETATM    8  C   UNK A   0       4.693   0.814  -0.154  1.00  0.00           C  
HETATM    9  C   UNK A   0       3.512   1.600  -0.282  1.00  0.00           C  
HETATM   10  O   UNK A   0       2.412   1.093  -0.144  1.00  0.00           O  
ATOM     11  CA  GLU A   1      -6.106  -0.356  -0.381  1.00  0.00           C  
ATOM     12  CB  GLU A   1      -6.489   1.113  -0.189  1.00  0.00           C  
ATOM     13  CD  GLU A   1      -6.535   2.989   1.432  1.00  0.00           C  
ATOM     14  CG  GLU A   1      -6.158   1.543   1.242  1.00  0.00           C  
HETATM   15  N   UNK A   0       4.965   4.812  -0.975  1.00  0.00           N  
HETATM   16  O   UNK A   0      -4.852  -2.632   0.341  1.00  0.00           O  
HETATM   17  C   UNK A   0       5.396  -3.295   0.661  1.00  0.00           C  
HETATM   18  C   UNK A   0       4.076  -2.873   0.612  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.746  -3.194   0.730  1.00  0.00           C  
HETATM   20  C   UNK A   0      -0.459  -0.887   0.083  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.111  -3.059   0.616  1.00  0.00           C  
HETATM   22  C   UNK A   0      -1.823  -0.746  -0.032  1.00  0.00           C  
HETATM   23  C   UNK A   0       6.416  -2.396   0.451  1.00  0.00           C  
HETATM   24  C   UNK A   0       2.342  -1.109   0.301  1.00  0.00           C  
HETATM   25  N   UNK A   0       1.465  -2.249   0.580  1.00  0.00           N  
HETATM   26  S   UNK A   0       7.230   0.287  -0.116  1.00  0.00           S  
HETATM   27  C   UNK A   0      -4.124  -1.686   0.110  1.00  0.00           C  
HETATM   28  C   UNK A   0       0.086  -2.110   0.464  1.00  0.00           C  
HETATM   29  C   UNK A   0      -2.662  -1.833   0.234  1.00  0.00           C  
HETATM   30  C   UNK A   0       3.780  -1.557   0.352  1.00  0.00           C  
HETATM   31  C   UNK A   0       6.133  -1.051   0.186  1.00  0.00           C  
HETATM   32  C   UNK A   0       4.813  -0.624   0.135  1.00  0.00           C  
ATOM     33  OE2 GLU A   1      -6.333   3.586   2.617  1.00  0.00           O  
ATOM     34  OE1 GLU A   1      -7.019   3.613   0.517  1.00  0.00           O  
ATOM     35  O   GLU A   1      -5.727  -1.225  -2.538  1.00  0.00           O  
ATOM     36  H   GLU A   1      -4.073   0.252  -0.443  1.00  0.00           H  
ATOM     37  HXT GLU A   1      -8.074  -1.074  -2.976  1.00  0.00           H  
HETATM   38  H   UNK A   0       2.838   3.464  -0.639  1.00  0.00           H  
ATOM     39  HA  GLU A   1      -6.598  -0.962   0.380  1.00  0.00           H  
ATOM     40  HB1 GLU A   1      -5.929   1.729  -0.892  1.00  0.00           H  
ATOM     41  HB2 GLU A   1      -7.557   1.236  -0.367  1.00  0.00           H  
ATOM     42  HG1 GLU A   1      -6.718   0.926   1.945  1.00  0.00           H  
ATOM     43  HG2 GLU A   1      -5.090   1.419   1.421  1.00  0.00           H  
HETATM   44  H   UNK A   0       4.163   5.350  -1.063  1.00  0.00           H  
HETATM   45  H   UNK A   0       5.838   5.221  -1.082  1.00  0.00           H  
HETATM   46  H   UNK A   0       5.623  -4.330   0.866  1.00  0.00           H  
HETATM   47  H   UNK A   0       3.278  -3.581   0.777  1.00  0.00           H  
HETATM   48  H   UNK A   0      -0.320  -4.140   1.029  1.00  0.00           H  
HETATM   49  H   UNK A   0       0.189  -0.048  -0.122  1.00  0.00           H  
HETATM   50  H   UNK A   0      -2.756  -3.901   0.822  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.246   0.203  -0.328  1.00  0.00           H  
HETATM   52  H   UNK A   0       7.442  -2.731   0.492  1.00  0.00           H  
HETATM   53  H   UNK A   0       2.120  -0.714  -0.690  1.00  0.00           H  
HETATM   54  H   UNK A   0       2.176  -0.332   1.048  1.00  0.00           H  
HETATM   55  H   UNK A   0       1.846  -3.100   0.845  1.00  0.00           H  
ATOM     56  HE2 GLU A   1      -6.591   4.515   2.691  1.00  0.00           H  
CONECT    1   35   35    3   11                                       
CONECT    2   11   27   36                                            
CONECT    3    1   37                                                 
CONECT    4    5    9   38                                            
CONECT    5    4   15    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   26                                       
CONECT    8    7    7    9   32                                       
CONECT    9    4    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    1    2   12   39                                       
CONECT   12   11   14   40   41                                       
CONECT   13   34   34   14   33                                       
CONECT   14   12   13   42   43                                       
CONECT   15    5   44   45                                            
CONECT   16   27   27                                                 
CONECT   17   23   23   18   46                                       
CONECT   18   17   30   30   47                                       
CONECT   19   21   21   28   48                                       
CONECT   20   28   28   22   49                                       
CONECT   21   19   19   29   50                                       
CONECT   22   20   29   29   51                                       
CONECT   23   17   17   31   52                                       
CONECT   24   25   30   53   54                                       
CONECT   25   24   28   55                                            
CONECT   26    7   31                                                 
CONECT   27    2   16   16   29                                       
CONECT   28   19   20   20   25                                       
CONECT   29   21   22   22   27                                       
CONECT   30   18   18   24   32                                       
CONECT   31   23   26   32   32                                       
CONECT   32    8   30   31   31                                       
CONECT   33   13   56                                                 
CONECT   34   13   13                                                 
CONECT   35    1    1                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
