COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       5.309   0.051   0.769  1.00  0.00           C  
HETATM    2  C   UNK A   0       4.429   0.114  -0.310  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.416  -0.977  -1.227  1.00  0.00           C  
HETATM    4  C   UNK A   0       3.221   3.482   0.921  1.00  0.00           C  
HETATM    5  N   UNK A   0       5.247  -2.016  -1.016  1.00  0.00           N  
HETATM    6  N   UNK A   0       6.924  -3.087   0.254  1.00  0.00           N  
HETATM    7  C   UNK A   0       3.904   2.157   0.704  1.00  0.00           C  
HETATM    8  N   UNK A   0       6.108  -1.025   0.915  1.00  0.00           N  
HETATM    9  S   UNK A   0       5.144   1.499   1.754  1.00  0.00           S  
HETATM   10  C   UNK A   0       6.086  -2.018   0.060  1.00  0.00           C  
HETATM   11  O   UNK A   0       3.664  -0.971  -2.187  1.00  0.00           O  
HETATM   12  C   UNK A   0       3.645   1.338  -0.305  1.00  0.00           C  
HETATM   13  S   UNK A   0       2.446   1.705  -1.543  1.00  0.00           S  
HETATM   14  C   UNK A   0       0.968   1.010  -0.882  1.00  0.00           C  
HETATM   15  C   UNK A   0      -0.225   1.104  -1.596  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.372   0.566  -1.086  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.995   0.363   0.352  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.149  -0.176   0.867  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.349  -0.079   0.155  1.00  0.00           C  
HETATM   20  C   UNK A   0      -2.586  -0.661   0.708  1.00  0.00           C  
HETATM   21  O   UNK A   0      -2.563  -1.226   1.784  1.00  0.00           O  
ATOM     22  N   GLU A   1      -3.741  -0.566   0.021  1.00  0.00           N  
ATOM     23  CA  GLU A   1      -4.970  -1.144   0.570  1.00  0.00           C  
ATOM     24  C   GLU A   1      -5.043  -2.606   0.209  1.00  0.00           C  
ATOM     25  O   GLU A   1      -4.159  -3.112  -0.440  1.00  0.00           O  
ATOM     26  OXT GLU A   1      -6.089  -3.345   0.610  1.00  0.00           O  
ATOM     27  CB  GLU A   1      -6.182  -0.414  -0.012  1.00  0.00           C  
ATOM     28  CG  GLU A   1      -6.174   1.042   0.458  1.00  0.00           C  
ATOM     29  CD  GLU A   1      -7.368   1.761  -0.116  1.00  0.00           C  
ATOM     30  OE2 GLU A   1      -7.568   3.059   0.163  1.00  0.00           O  
ATOM     31  OE1 GLU A   1      -8.145   1.170  -0.827  1.00  0.00           O  
HETATM   32  H   UNK A   0       3.618   3.953   1.820  1.00  0.00           H  
HETATM   33  H   UNK A   0       3.401   4.129   0.062  1.00  0.00           H  
HETATM   34  H   UNK A   0       2.149   3.323   1.038  1.00  0.00           H  
HETATM   35  H   UNK A   0       5.250  -2.766  -1.631  1.00  0.00           H  
HETATM   36  H   UNK A   0       6.916  -3.830  -0.370  1.00  0.00           H  
HETATM   37  H   UNK A   0       7.526  -3.101   1.015  1.00  0.00           H  
HETATM   38  H   UNK A   0      -0.242   1.602  -2.554  1.00  0.00           H  
HETATM   39  H   UNK A   0      -2.296   0.640  -1.640  1.00  0.00           H  
HETATM   40  H   UNK A   0       1.922   0.289   0.901  1.00  0.00           H  
HETATM   41  H   UNK A   0      -0.127  -0.678   1.823  1.00  0.00           H  
ATOM     42  H   GLU A   1      -3.759  -0.116  -0.838  1.00  0.00           H  
ATOM     43  HA  GLU A   1      -4.968  -1.038   1.655  1.00  0.00           H  
ATOM     44  HXT GLU A   1      -6.092  -4.277   0.354  1.00  0.00           H  
ATOM     45  HB1 GLU A   1      -6.136  -0.445  -1.101  1.00  0.00           H  
ATOM     46  HB2 GLU A   1      -7.096  -0.901   0.327  1.00  0.00           H  
ATOM     47  HG1 GLU A   1      -6.220   1.073   1.546  1.00  0.00           H  
ATOM     48  HG2 GLU A   1      -5.260   1.528   0.118  1.00  0.00           H  
ATOM     49  HE2 GLU A   1      -8.347   3.477  -0.227  1.00  0.00           H  
CONECT    1    8    2    2    9                                       
CONECT    2    1    1    3   12                                       
CONECT    3    2    5   11   11                                       
CONECT    4    7   32   33   34                                       
CONECT    5    3   10   35                                            
CONECT    6   10   36   37                                            
CONECT    7    4    9   12   12                                       
CONECT    8    1   10   10                                            
CONECT    9    1    7                                                 
CONECT   10    5    6    8    8                                       
CONECT   11    3    3                                                 
CONECT   12    2    7    7   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   17   17   15                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   19   39                                       
CONECT   17   14   14   18   40                                       
CONECT   18   17   19   19   41                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   42                                            
CONECT   23   22   27   24   43                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   44                                                 
CONECT   27   23   28   45   46                                       
CONECT   28   27   29   47   48                                       
CONECT   29   28   31   31   30                                       
CONECT   30   29   49                                                 
CONECT   31   29   29                                                 
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
