COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  OE1 GLU A   1       4.194   5.122   1.850  1.00  0.00           O  
ATOM      2  CD  GLU A   1       4.476   4.513   0.687  1.00  0.00           C  
ATOM      3  OE2 GLU A   1       4.323   5.103  -0.356  1.00  0.00           O  
ATOM      4  CG  GLU A   1       4.982   3.094   0.683  1.00  0.00           C  
ATOM      5  CB  GLU A   1       5.223   2.643  -0.759  1.00  0.00           C  
ATOM      6  C   GLU A   1       6.090   0.799  -2.172  1.00  0.00           C  
ATOM      7  OXT GLU A   1       5.530  -0.137  -2.691  1.00  0.00           O  
ATOM      8  O   GLU A   1       7.028   1.480  -2.849  1.00  0.00           O  
ATOM      9  N   GLU A   1       4.696   0.310  -0.247  1.00  0.00           N  
HETATM   10  C   UNK A   0       5.034  -0.868   0.313  1.00  0.00           C  
HETATM   11  O   UNK A   0       6.204  -1.191   0.389  1.00  0.00           O  
HETATM   12  C   UNK A   0       3.984  -1.767   0.834  1.00  0.00           C  
HETATM   13  C   UNK A   0       2.640  -1.400   0.748  1.00  0.00           C  
HETATM   14  C   UNK A   0       4.331  -2.993   1.410  1.00  0.00           C  
HETATM   15  C   UNK A   0       3.342  -3.829   1.895  1.00  0.00           C  
HETATM   16  C   UNK A   0       2.014  -3.454   1.810  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.665  -2.243   1.235  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.214  -1.847   1.143  1.00  0.00           C  
HETATM   19  N   UNK A   0      -0.345  -2.330  -0.122  1.00  0.00           N  
HETATM   20  C   UNK A   0      -1.679  -2.083  -0.433  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.208  -2.543  -1.636  1.00  0.00           C  
HETATM   22  C   UNK A   0      -3.522  -2.301  -1.947  1.00  0.00           C  
HETATM   23  C   UNK A   0      -2.482  -1.381   0.462  1.00  0.00           C  
HETATM   24  C   UNK A   0      -3.797  -1.135   0.160  1.00  0.00           C  
HETATM   25  C   UNK A   0      -4.332  -1.590  -1.052  1.00  0.00           C  
HETATM   26  C   UNK A   0      -5.738  -1.329  -1.380  1.00  0.00           C  
HETATM   27  C   UNK A   0      -6.401  -0.315  -0.766  1.00  0.00           C  
HETATM   28  S   UNK A   0      -5.739   0.927   0.314  1.00  0.00           S  
HETATM   29  C   UNK A   0      -7.295   1.733   0.574  1.00  0.00           C  
HETATM   30  S   UNK A   0      -7.579   3.114   1.546  1.00  0.00           S  
HETATM   31  N   UNK A   0      -8.206   1.058  -0.136  1.00  0.00           N  
HETATM   32  C   UNK A   0      -7.830   0.009  -0.849  1.00  0.00           C  
HETATM   33  F   UNK A   0       5.629  -3.360   1.492  1.00  0.00           F  
HETATM   34  O   UNK A   0      -8.610  -0.641  -1.519  1.00  0.00           O  
ATOM     35  CA  GLU A   1       5.737   1.202  -0.763  1.00  0.00           C  
ATOM     36  HE1 GLU A   1       3.872   6.032   1.802  1.00  0.00           H  
ATOM     37  HG1 GLU A   1       5.917   3.040   1.242  1.00  0.00           H  
ATOM     38  HB1 GLU A   1       4.288   2.697  -1.317  1.00  0.00           H  
ATOM     39  HG2 GLU A   1       4.242   2.443   1.149  1.00  0.00           H  
ATOM     40  HB2 GLU A   1       5.963   3.294  -1.225  1.00  0.00           H  
ATOM     41  H   GLU A   1       3.763   0.568  -0.308  1.00  0.00           H  
ATOM     42  HA  GLU A   1       6.623   1.130  -0.132  1.00  0.00           H  
HETATM   43  H   UNK A   0      -9.135   1.338  -0.132  1.00  0.00           H  
ATOM     44  H   GLU A   1       7.220   1.184  -3.750  1.00  0.00           H  
HETATM   45  H   UNK A   0       2.364  -0.456   0.300  1.00  0.00           H  
HETATM   46  H   UNK A   0       3.607  -4.776   2.341  1.00  0.00           H  
HETATM   47  H   UNK A   0       1.245  -4.110   2.190  1.00  0.00           H  
HETATM   48  H   UNK A   0      -0.336  -2.286   1.975  1.00  0.00           H  
HETATM   49  H   UNK A   0       0.131  -0.761   1.186  1.00  0.00           H  
HETATM   50  H   UNK A   0       0.214  -2.822  -0.742  1.00  0.00           H  
HETATM   51  H   UNK A   0      -1.583  -3.091  -2.325  1.00  0.00           H  
HETATM   52  H   UNK A   0      -2.069  -1.029   1.396  1.00  0.00           H  
HETATM   53  H   UNK A   0      -3.931  -2.658  -2.880  1.00  0.00           H  
HETATM   54  H   UNK A   0      -4.418  -0.590   0.855  1.00  0.00           H  
HETATM   55  H   UNK A   0      -6.245  -1.942  -2.110  1.00  0.00           H  
CONECT    1    2   36                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   37   39                                       
CONECT    5    4   35   38   40                                       
CONECT    6    8    7    7   35                                       
CONECT    7    6    6                                                 
CONECT    8    6   44                                                 
CONECT    9   10   35   41                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   14   14                                       
CONECT   13   12   17   17   45                                       
CONECT   14   12   12   15   33                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   13   13   16   18                                       
CONECT   18   17   19   48   49                                       
CONECT   19   18   20   50                                            
CONECT   20   19   21   23   23                                       
CONECT   21   20   22   22   51                                       
CONECT   22   21   21   25   53                                       
CONECT   23   20   20   24   52                                       
CONECT   24   23   25   25   54                                       
CONECT   25   22   24   24   26                                       
CONECT   26   25   27   27   55                                       
CONECT   27   26   26   28   32                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   43                                            
CONECT   32   27   31   34   34                                       
CONECT   33   14                                                      
CONECT   34   32   32                                                 
CONECT   35    5    6    9   42                                       
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    9                                                      
CONECT   42   35                                                      
CONECT   43   31                                                      
CONECT   44    8                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
