COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       6.207   0.647  -1.304  1.00  0.00           N  
HETATM    2  C   UNK A   0       5.275  -0.317  -1.317  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.601  -0.632  -0.129  1.00  0.00           C  
HETATM    4  C   UNK A   0       4.922   0.075   1.051  1.00  0.00           C  
HETATM    5  N   UNK A   0       5.873   1.034   0.983  1.00  0.00           N  
HETATM    6  C   UNK A   0       6.497   1.298  -0.200  1.00  0.00           C  
HETATM    7  C   UNK A   0       3.663  -1.704  -0.460  1.00  0.00           C  
HETATM    8  C   UNK A   0       3.819  -1.961  -1.770  1.00  0.00           C  
HETATM    9  N   UNK A   0       4.782  -1.135  -2.291  1.00  0.00           N  
HETATM   10  O   UNK A   0       4.356  -0.172   2.102  1.00  0.00           O  
HETATM   11  N   UNK A   0       7.458   2.276  -0.240  1.00  0.00           N  
HETATM   12  C   UNK A   0       2.708  -2.387   0.484  1.00  0.00           C  
HETATM   13  C   UNK A   0       1.439  -1.581   0.585  1.00  0.00           C  
HETATM   14  C   UNK A   0       0.393  -1.830  -0.287  1.00  0.00           C  
HETATM   15  C   UNK A   0      -0.771  -1.096  -0.199  1.00  0.00           C  
HETATM   16  C   UNK A   0      -0.894  -0.101   0.771  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.164   0.146   1.647  1.00  0.00           C  
HETATM   18  C   UNK A   0       1.322  -0.599   1.553  1.00  0.00           C  
HETATM   19  C   UNK A   0      -2.137   0.694   0.867  1.00  0.00           C  
HETATM   20  O   UNK A   0      -2.240   1.563   1.710  1.00  0.00           O  
ATOM     21  N   GLU A   1      -3.158   0.453   0.020  1.00  0.00           N  
ATOM     22  CA  GLU A   1      -4.390   1.240   0.115  1.00  0.00           C  
ATOM     23  CB  GLU A   1      -5.556   0.433  -0.458  1.00  0.00           C  
ATOM     24  C   GLU A   1      -4.231   2.519  -0.668  1.00  0.00           C  
ATOM     25  OXT GLU A   1      -5.240   3.401  -0.723  1.00  0.00           O  
ATOM     26  O   GLU A   1      -3.195   2.748  -1.245  1.00  0.00           O  
ATOM     27  CG  GLU A   1      -5.797  -0.803   0.411  1.00  0.00           C  
ATOM     28  CD  GLU A   1      -6.946  -1.598  -0.154  1.00  0.00           C  
ATOM     29  OE1 GLU A   1      -7.514  -1.215  -1.149  1.00  0.00           O  
ATOM     30  OE2 GLU A   1      -7.338  -2.731   0.450  1.00  0.00           O  
HETATM   31  H   UNK A   0       6.112   1.535   1.778  1.00  0.00           H  
HETATM   32  H   UNK A   0       3.269  -2.705  -2.327  1.00  0.00           H  
HETATM   33  H   UNK A   0       5.071  -1.133  -3.217  1.00  0.00           H  
HETATM   34  H   UNK A   0       7.684   2.767   0.566  1.00  0.00           H  
HETATM   35  H   UNK A   0       7.912   2.477  -1.073  1.00  0.00           H  
HETATM   36  H   UNK A   0       2.477  -3.384   0.108  1.00  0.00           H  
HETATM   37  H   UNK A   0       3.167  -2.468   1.469  1.00  0.00           H  
HETATM   38  H   UNK A   0       0.490  -2.601  -1.037  1.00  0.00           H  
HETATM   39  H   UNK A   0      -1.587  -1.292  -0.880  1.00  0.00           H  
HETATM   40  H   UNK A   0       0.076   0.915   2.400  1.00  0.00           H  
HETATM   41  H   UNK A   0       2.141  -0.410   2.230  1.00  0.00           H  
ATOM     42  H   GLU A   1      -3.076  -0.241  -0.653  1.00  0.00           H  
ATOM     43  HA  GLU A   1      -4.590   1.477   1.160  1.00  0.00           H  
ATOM     44  HB1 GLU A   1      -6.454   1.050  -0.470  1.00  0.00           H  
ATOM     45  HB2 GLU A   1      -5.317   0.121  -1.475  1.00  0.00           H  
ATOM     46  HXT GLU A   1      -5.091   4.207  -1.237  1.00  0.00           H  
ATOM     47  HG1 GLU A   1      -4.898  -1.420   0.422  1.00  0.00           H  
ATOM     48  HG2 GLU A   1      -6.036  -0.491   1.428  1.00  0.00           H  
ATOM     49  HE2 GLU A   1      -8.080  -3.207   0.051  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3    9                                       
CONECT    3    4    2    2    7                                       
CONECT    4    5   10   10    3                                       
CONECT    5    6    4   31                                            
CONECT    6   11    5    1    1                                       
CONECT    7    3   12    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9    2    8   33                                            
CONECT   10    4    4                                                 
CONECT   11    6   34   35                                            
CONECT   12   13    7   36   37                                       
CONECT   13   18   18   14   12                                       
CONECT   14   15   15   13   38                                       
CONECT   15   16   14   14   39                                       
CONECT   16   19   17   17   15                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   13   13   41                                       
CONECT   19   20   20   21   16                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   42                                            
CONECT   22   24   23   21   43                                       
CONECT   23   22   27   44   45                                       
CONECT   24   26   26   22   25                                       
CONECT   25   24   46                                                 
CONECT   26   24   24                                                 
CONECT   27   28   23   47   48                                       
CONECT   28   29   29   30   27                                       
CONECT   29   28   28                                                 
CONECT   30   28   49                                                 
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
