COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  OE2 GLU A   1      -9.105  -2.633  -0.440  1.00  0.00           O  
ATOM      2  CD  GLU A   1      -7.967  -3.040  -0.462  1.00  0.00           C  
ATOM      3  OE1 GLU A   1      -7.692  -4.235  -1.007  1.00  0.00           O  
ATOM      4  CG  GLU A   1      -6.857  -2.201   0.117  1.00  0.00           C  
ATOM      5  CB  GLU A   1      -7.436  -0.895   0.664  1.00  0.00           C  
ATOM      6  C   GLU A   1      -6.892   1.186   1.899  1.00  0.00           C  
ATOM      7  O   GLU A   1      -7.766   1.061   2.910  1.00  0.00           O  
ATOM      8  OXT GLU A   1      -6.574   2.283   1.507  1.00  0.00           O  
ATOM      9  N   GLU A   1      -5.390   0.356   0.183  1.00  0.00           N  
HETATM   10  C   UNK A   0      -4.108   0.655   0.473  1.00  0.00           C  
HETATM   11  O   UNK A   0      -3.714   0.592   1.621  1.00  0.00           O  
HETATM   12  C   UNK A   0      -3.181   1.058  -0.606  1.00  0.00           C  
HETATM   13  C   UNK A   0      -1.852   1.368  -0.309  1.00  0.00           C  
HETATM   14  C   UNK A   0      -3.629   1.125  -1.926  1.00  0.00           C  
HETATM   15  C   UNK A   0      -2.758   1.502  -2.928  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.444   1.813  -2.626  1.00  0.00           C  
HETATM   17  C   UNK A   0      -0.993   1.743  -1.320  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.442   2.079  -1.002  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.090   2.267  -0.496  1.00  0.00           C  
HETATM   20  C   UNK A   0       4.440   2.407  -0.230  1.00  0.00           C  
HETATM   21  C   UNK A   0       5.277   1.313  -0.292  1.00  0.00           C  
HETATM   22  C   UNK A   0       2.566   1.024  -0.828  1.00  0.00           C  
HETATM   23  C   UNK A   0       3.394  -0.082  -0.893  1.00  0.00           C  
HETATM   24  C   UNK A   0       4.759   0.056  -0.625  1.00  0.00           C  
HETATM   25  C   UNK A   0       5.647  -1.114  -0.692  1.00  0.00           C  
HETATM   26  S   UNK A   0       7.447   0.120   1.092  1.00  0.00           S  
HETATM   27  C   UNK A   0       8.986  -0.710   1.379  1.00  0.00           C  
HETATM   28  N   UNK A   0       8.971  -1.825   0.639  1.00  0.00           N  
ATOM     29  CA  GLU A   1      -6.309  -0.044   1.252  1.00  0.00           C  
HETATM   30  C   UNK A   0       7.916  -2.096  -0.110  1.00  0.00           C  
HETATM   31  C   UNK A   0       6.836  -1.102  -0.041  1.00  0.00           C  
HETATM   32  O   UNK A   0       7.844  -3.093  -0.804  1.00  0.00           O  
HETATM   33  O   UNK A   0       1.238   0.895  -1.088  1.00  0.00           O  
HETATM   34  O   UNK A   0       9.885  -0.338   2.109  1.00  0.00           O  
ATOM     35  HE1 GLU A   1      -8.436  -4.734  -1.370  1.00  0.00           H  
ATOM     36  HG1 GLU A   1      -6.372  -2.750   0.925  1.00  0.00           H  
ATOM     37  HG2 GLU A   1      -6.127  -1.978  -0.660  1.00  0.00           H  
ATOM     38  HB1 GLU A   1      -7.921  -0.347  -0.144  1.00  0.00           H  
ATOM     39  HB2 GLU A   1      -8.166  -1.118   1.441  1.00  0.00           H  
ATOM     40  HA  GLU A   1      -5.767  -0.625   1.998  1.00  0.00           H  
ATOM     41  H   GLU A   1      -8.114   1.878   3.293  1.00  0.00           H  
ATOM     42  H   GLU A   1      -5.704   0.406  -0.733  1.00  0.00           H  
HETATM   43  H   UNK A   0      -1.499   1.314   0.710  1.00  0.00           H  
HETATM   44  H   UNK A   0      -4.654   0.883  -2.163  1.00  0.00           H  
HETATM   45  H   UNK A   0      -3.103   1.555  -3.950  1.00  0.00           H  
HETATM   46  H   UNK A   0      -0.767   2.107  -3.414  1.00  0.00           H  
HETATM   47  H   UNK A   0       0.809   2.817  -1.714  1.00  0.00           H  
HETATM   48  H   UNK A   0       0.504   2.486   0.008  1.00  0.00           H  
HETATM   49  H   UNK A   0       2.439   3.127  -0.441  1.00  0.00           H  
HETATM   50  H   UNK A   0       4.840   3.376   0.027  1.00  0.00           H  
HETATM   51  H   UNK A   0       2.987  -1.049  -1.151  1.00  0.00           H  
HETATM   52  H   UNK A   0       6.331   1.426  -0.084  1.00  0.00           H  
HETATM   53  H   UNK A   0       5.352  -1.984  -1.261  1.00  0.00           H  
HETATM   54  H   UNK A   0       9.730  -2.430   0.651  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   35                                                 
CONECT    4    2    5   36   37                                       
CONECT    5    4   29   38   39                                       
CONECT    6    7    8    8   29                                       
CONECT    7    6   41                                                 
CONECT    8    6    6                                                 
CONECT    9   10   29   42                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   14   14                                       
CONECT   13   12   17   17   43                                       
CONECT   14   12   12   15   44                                       
CONECT   15   14   16   16   45                                       
CONECT   16   15   15   17   46                                       
CONECT   17   13   13   16   18                                       
CONECT   18   17   33   47   48                                       
CONECT   19   22   22   20   49                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20   24   52                                       
CONECT   22   19   19   23   33                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   21   25                                       
CONECT   25   24   31   31   53                                       
CONECT   26   27   31                                                 
CONECT   27   26   28   34   34                                       
CONECT   28   27   30   54                                            
CONECT   29    5    6    9   40                                       
CONECT   30   28   32   32   31                                       
CONECT   31   25   25   26   30                                       
CONECT   32   30   30                                                 
CONECT   33   18   22                                                 
CONECT   34   27   27                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40   29                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   21                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
