COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  OE2 GLU A   1      -7.439  -3.050  -0.568  1.00  0.00           O  
ATOM      2  CD  GLU A   1      -7.231  -1.827  -0.055  1.00  0.00           C  
ATOM      3  OE1 GLU A   1      -8.005  -1.371   0.752  1.00  0.00           O  
ATOM      4  CG  GLU A   1      -6.032  -1.023  -0.488  1.00  0.00           C  
ATOM      5  CB  GLU A   1      -6.031   0.322   0.241  1.00  0.00           C  
ATOM      6  CA  GLU A   1      -4.814   1.139  -0.197  1.00  0.00           C  
ATOM      7  C   GLU A   1      -4.878   2.510   0.425  1.00  0.00           C  
ATOM      8  OXT GLU A   1      -5.919   3.316   0.167  1.00  0.00           O  
ATOM      9  O   GLU A   1      -3.991   2.883   1.157  1.00  0.00           O  
ATOM     10  N   GLU A   1      -3.589   0.462   0.237  1.00  0.00           N  
HETATM   11  C   UNK A   0      -2.433   0.673  -0.422  1.00  0.00           C  
HETATM   12  O   UNK A   0      -2.405   1.426  -1.377  1.00  0.00           O  
HETATM   13  C   UNK A   0      -1.201  -0.008   0.015  1.00  0.00           C  
HETATM   14  C   UNK A   0       0.002   0.211  -0.668  1.00  0.00           C  
HETATM   15 CL   UNK A   0       0.046   1.284  -2.031  1.00  0.00          Cl  
HETATM   16  C   UNK A   0       1.149  -0.429  -0.254  1.00  0.00           C  
HETATM   17  C   UNK A   0      -1.229  -0.870   1.117  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.088  -1.500   1.521  1.00  0.00           C  
HETATM   19  C   UNK A   0       1.109  -1.289   0.840  1.00  0.00           C  
HETATM   20  S   UNK A   0       2.577  -2.108   1.370  1.00  0.00           S  
HETATM   21  C   UNK A   0       3.786  -1.533   0.224  1.00  0.00           C  
HETATM   22  C   UNK A   0       4.633  -0.346   0.367  1.00  0.00           C  
HETATM   23  C   UNK A   0       4.777   0.653   1.352  1.00  0.00           C  
HETATM   24  O   UNK A   0       4.097   0.636   2.365  1.00  0.00           O  
HETATM   25  N   UNK A   0       5.688   1.631   1.145  1.00  0.00           N  
HETATM   26  C   UNK A   0       6.440   1.637   0.007  1.00  0.00           C  
HETATM   27  N   UNK A   0       7.357   2.641  -0.177  1.00  0.00           N  
HETATM   28  N   UNK A   0       6.315   0.712  -0.917  1.00  0.00           N  
HETATM   29  C   UNK A   0       5.434  -0.290  -0.783  1.00  0.00           C  
HETATM   30  N   UNK A   0       5.102  -1.357  -1.564  1.00  0.00           N  
HETATM   31  C   UNK A   0       4.117  -2.103  -0.953  1.00  0.00           C  
HETATM   32  C   UNK A   0       3.502  -3.359  -1.515  1.00  0.00           C  
ATOM     33  HE2 GLU A   1      -8.222  -3.528  -0.261  1.00  0.00           H  
ATOM     34  HG1 GLU A   1      -5.121  -1.569  -0.243  1.00  0.00           H  
ATOM     35  HG2 GLU A   1      -6.077  -0.853  -1.563  1.00  0.00           H  
ATOM     36  HB1 GLU A   1      -6.942   0.869  -0.003  1.00  0.00           H  
ATOM     37  HB2 GLU A   1      -5.986   0.153   1.317  1.00  0.00           H  
ATOM     38  HA  GLU A   1      -4.812   1.233  -1.283  1.00  0.00           H  
ATOM     39  HXT GLU A   1      -5.916   4.186   0.590  1.00  0.00           H  
ATOM     40  H   GLU A   1      -3.611  -0.139   0.998  1.00  0.00           H  
HETATM   41  H   UNK A   0       2.079  -0.264  -0.778  1.00  0.00           H  
HETATM   42  H   UNK A   0      -2.155  -1.036   1.647  1.00  0.00           H  
HETATM   43  H   UNK A   0      -0.114  -2.165   2.372  1.00  0.00           H  
HETATM   44  H   UNK A   0       5.806   2.330   1.807  1.00  0.00           H  
HETATM   45  H   UNK A   0       7.462   3.331   0.496  1.00  0.00           H  
HETATM   46  H   UNK A   0       7.900   2.660  -0.980  1.00  0.00           H  
HETATM   47  H   UNK A   0       5.503  -1.564  -2.423  1.00  0.00           H  
HETATM   48  H   UNK A   0       2.637  -3.099  -2.124  1.00  0.00           H  
HETATM   49  H   UNK A   0       4.237  -3.880  -2.129  1.00  0.00           H  
HETATM   50  H   UNK A   0       3.189  -4.007  -0.696  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6   10    7    5   38                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   39                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   40                                            
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   17   11   14   14                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14                                                      
CONECT   16   19   19   14   41                                       
CONECT   17   18   18   13   42                                       
CONECT   18   17   17   19   43                                       
CONECT   19   18   20   16   16                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   31   31                                       
CONECT   22   21   23   29   29                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   44                                            
CONECT   26   25   28   28   27                                       
CONECT   27   26   45   46                                            
CONECT   28   29   26   26                                            
CONECT   29   22   22   30   28                                       
CONECT   30   31   29   47                                            
CONECT   31   21   21   32   30                                       
CONECT   32   31   48   49   50                                       
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   30                                                      
CONECT   48   32                                                      
CONECT   49   32                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
