COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       4.528  -0.413  -0.784  1.00  0.00           C  
HETATM    2  C   UNK A   0       5.970  -0.001  -0.666  1.00  0.00           C  
HETATM    3  C   UNK A   0       6.789  -0.032  -1.801  1.00  0.00           C  
HETATM    4  O   UNK A   0       6.342  -0.386  -2.881  1.00  0.00           O  
HETATM    5  N   UNK A   0       8.080   0.342  -1.684  1.00  0.00           N  
HETATM    6  C   UNK A   0       8.572   0.729  -0.475  1.00  0.00           C  
HETATM    7  N   UNK A   0       9.887   1.096  -0.372  1.00  0.00           N  
HETATM    8  N   UNK A   0       7.807   0.761   0.596  1.00  0.00           N  
HETATM    9  C   UNK A   0       6.516   0.409   0.537  1.00  0.00           C  
HETATM   10  N   UNK A   0       5.745   0.467   1.683  1.00  0.00           N  
HETATM   11  C   UNK A   0       4.435  -0.198   1.696  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.717   0.149   0.385  1.00  0.00           C  
HETATM   13  C   UNK A   0       2.318  -0.470   0.383  1.00  0.00           C  
HETATM   14  C   UNK A   0       1.469   0.185   1.474  1.00  0.00           C  
HETATM   15  C   UNK A   0       0.091  -0.425   1.473  1.00  0.00           C  
HETATM   16  S   UNK A   0      -1.309   0.081   0.584  1.00  0.00           S  
HETATM   17  C   UNK A   0      -0.354  -1.507   2.163  1.00  0.00           C  
HETATM   18  C   UNK A   0      -1.661  -1.900   2.023  1.00  0.00           C  
HETATM   19  C   UNK A   0      -2.454  -1.160   1.160  1.00  0.00           C  
HETATM   20  C   UNK A   0      -3.866  -1.346   0.813  1.00  0.00           C  
HETATM   21  O   UNK A   0      -4.500  -2.258   1.311  1.00  0.00           O  
ATOM     22  N   GLU A   1      -4.463  -0.507  -0.057  1.00  0.00           N  
ATOM     23  CA  GLU A   1      -5.874  -0.694  -0.404  1.00  0.00           C  
ATOM     24  C   GLU A   1      -5.988  -1.701  -1.519  1.00  0.00           C  
ATOM     25  O   GLU A   1      -7.196  -2.032  -2.003  1.00  0.00           O  
ATOM     26  OXT GLU A   1      -4.993  -2.211  -1.977  1.00  0.00           O  
ATOM     27  CB  GLU A   1      -6.467   0.641  -0.859  1.00  0.00           C  
ATOM     28  CG  GLU A   1      -6.465   1.626   0.311  1.00  0.00           C  
ATOM     29  CD  GLU A   1      -7.050   2.941  -0.138  1.00  0.00           C  
ATOM     30  OE1 GLU A   1      -7.429   3.076  -1.277  1.00  0.00           O  
ATOM     31  OE2 GLU A   1      -7.149   3.962   0.728  1.00  0.00           O  
HETATM   32  H   UNK A   0       4.120  -0.035  -1.721  1.00  0.00           H  
HETATM   33  H   UNK A   0       4.462  -1.501  -0.778  1.00  0.00           H  
HETATM   34  H   UNK A   0       8.661   0.328  -2.460  1.00  0.00           H  
HETATM   35  H   UNK A   0      10.246   1.377   0.484  1.00  0.00           H  
HETATM   36  H   UNK A   0      10.460   1.072  -1.154  1.00  0.00           H  
HETATM   37  H   UNK A   0       6.065   0.939   2.467  1.00  0.00           H  
HETATM   38  H   UNK A   0       3.849   0.159   2.542  1.00  0.00           H  
HETATM   39  H   UNK A   0       4.569  -1.277   1.768  1.00  0.00           H  
HETATM   40  H   UNK A   0       3.638   1.232   0.287  1.00  0.00           H  
HETATM   41  H   UNK A   0       1.850  -0.307  -0.588  1.00  0.00           H  
HETATM   42  H   UNK A   0       2.394  -1.540   0.574  1.00  0.00           H  
HETATM   43  H   UNK A   0       1.937   0.022   2.445  1.00  0.00           H  
HETATM   44  H   UNK A   0       1.393   1.255   1.283  1.00  0.00           H  
HETATM   45  H   UNK A   0       0.311  -2.047   2.821  1.00  0.00           H  
HETATM   46  H   UNK A   0      -2.054  -2.753   2.557  1.00  0.00           H  
ATOM     47  H   GLU A   1      -3.958   0.219  -0.454  1.00  0.00           H  
ATOM     48  HA  GLU A   1      -6.418  -1.054   0.469  1.00  0.00           H  
ATOM     49  H   GLU A   1      -7.269  -2.678  -2.719  1.00  0.00           H  
ATOM     50  HB1 GLU A   1      -5.869   1.045  -1.676  1.00  0.00           H  
ATOM     51  HB2 GLU A   1      -7.491   0.485  -1.201  1.00  0.00           H  
ATOM     52  HG1 GLU A   1      -7.064   1.222   1.127  1.00  0.00           H  
ATOM     53  HG2 GLU A   1      -5.442   1.782   0.653  1.00  0.00           H  
ATOM     54  HE2 GLU A   1      -7.524   4.805   0.440  1.00  0.00           H  
CONECT    1    2   12   32   33                                       
CONECT    2    1    3    9    9                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   34                                            
CONECT    6    5    7    8    8                                       
CONECT    7    6   35   36                                            
CONECT    8    6    6    9                                            
CONECT    9    2    2    8   10                                       
CONECT   10    9   11   37                                            
CONECT   11   10   12   38   39                                       
CONECT   12    1   11   13   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   19                                                 
CONECT   17   15   15   18   45                                       
CONECT   18   17   19   19   46                                       
CONECT   19   16   18   18   20                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   47                                            
CONECT   23   22   24   27   48                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   49                                                 
CONECT   26   24   24                                                 
CONECT   27   23   28   50   51                                       
CONECT   28   27   29   52   53                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   54                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
