COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       8.643   0.675  -0.274  1.00  0.00           N  
HETATM    2  C   UNK A   0       9.588  -0.295  -0.180  1.00  0.00           C  
HETATM    3  N   UNK A   0       9.327  -1.502   0.275  1.00  0.00           N  
HETATM    4  C   UNK A   0       8.092  -1.842   0.677  1.00  0.00           C  
HETATM    5  N   UNK A   0       6.213   1.173   0.142  1.00  0.00           N  
HETATM    6  C   UNK A   0       5.171   0.426   0.628  1.00  0.00           C  
HETATM    7  C   UNK A   0       5.609  -0.810   0.927  1.00  0.00           C  
HETATM    8  C   UNK A   0       7.031  -0.836   0.599  1.00  0.00           C  
HETATM    9  C   UNK A   0       7.347   0.429   0.112  1.00  0.00           C  
HETATM   10  O   UNK A   0       7.859  -2.964   1.097  1.00  0.00           O  
HETATM   11  N   UNK A   0      10.866  -0.006  -0.576  1.00  0.00           N  
HETATM   12  S   UNK A   0      -2.001   0.233  -0.588  1.00  0.00           S  
HETATM   13  C   UNK A   0      -3.150   1.541  -0.831  1.00  0.00           C  
HETATM   14  C   UNK A   0      -2.516   2.585  -1.444  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.188   2.341  -1.698  1.00  0.00           C  
HETATM   16  C   UNK A   0      -0.747   1.139  -1.309  1.00  0.00           C  
HETATM   17  C   UNK A   0      -4.563   1.515  -0.440  1.00  0.00           C  
HETATM   18  O   UNK A   0      -5.272   2.480  -0.657  1.00  0.00           O  
ATOM     19  N   GLU A   1      -5.076   0.423   0.160  1.00  0.00           N  
ATOM     20  CA  GLU A   1      -6.488   0.397   0.551  1.00  0.00           C  
ATOM     21  CB  GLU A   1      -6.973  -1.053   0.613  1.00  0.00           C  
ATOM     22  CG  GLU A   1      -6.930  -1.665  -0.788  1.00  0.00           C  
ATOM     23  CD  GLU A   1      -7.408  -3.093  -0.727  1.00  0.00           C  
ATOM     24  OE1 GLU A   1      -7.749  -3.572   0.329  1.00  0.00           O  
ATOM     25  OE2 GLU A   1      -7.456  -3.833  -1.846  1.00  0.00           O  
ATOM     26  C   GLU A   1      -6.646   1.038   1.906  1.00  0.00           C  
ATOM     27  OXT GLU A   1      -7.861   1.127   2.469  1.00  0.00           O  
ATOM     28  O   GLU A   1      -5.678   1.472   2.485  1.00  0.00           O  
HETATM   29  C   UNK A   0       3.756   0.914   0.802  1.00  0.00           C  
HETATM   30  C   UNK A   0       2.930   0.535  -0.429  1.00  0.00           C  
HETATM   31  C   UNK A   0       1.494   1.030  -0.252  1.00  0.00           C  
HETATM   32  C   UNK A   0       0.668   0.650  -1.483  1.00  0.00           C  
HETATM   33  H   UNK A   0       6.148   2.098  -0.144  1.00  0.00           H  
HETATM   34  H   UNK A   0       5.023  -1.623   1.328  1.00  0.00           H  
HETATM   35  H   UNK A   0      11.081   0.877  -0.915  1.00  0.00           H  
HETATM   36  H   UNK A   0      11.557  -0.684  -0.518  1.00  0.00           H  
HETATM   37  H   UNK A   0      -3.010   3.510  -1.702  1.00  0.00           H  
HETATM   38  H   UNK A   0      -0.547   3.066  -2.178  1.00  0.00           H  
ATOM     39  H   GLU A   1      -4.511  -0.346   0.333  1.00  0.00           H  
ATOM     40  HA  GLU A   1      -7.078   0.947  -0.182  1.00  0.00           H  
ATOM     41  HB1 GLU A   1      -6.327  -1.624   1.280  1.00  0.00           H  
ATOM     42  HB2 GLU A   1      -7.996  -1.077   0.989  1.00  0.00           H  
ATOM     43  HG1 GLU A   1      -7.576  -1.094  -1.455  1.00  0.00           H  
ATOM     44  HG2 GLU A   1      -5.907  -1.640  -1.164  1.00  0.00           H  
ATOM     45  HE2 GLU A   1      -7.770  -4.744  -1.757  1.00  0.00           H  
ATOM     46  HXT GLU A   1      -7.912   1.546   3.338  1.00  0.00           H  
HETATM   47  H   UNK A   0       3.319   0.454   1.689  1.00  0.00           H  
HETATM   48  H   UNK A   0       3.757   1.998   0.919  1.00  0.00           H  
HETATM   49  H   UNK A   0       3.367   0.994  -1.315  1.00  0.00           H  
HETATM   50  H   UNK A   0       2.929  -0.549  -0.545  1.00  0.00           H  
HETATM   51  H   UNK A   0       1.057   0.570   0.635  1.00  0.00           H  
HETATM   52  H   UNK A   0       1.495   2.114  -0.136  1.00  0.00           H  
HETATM   53  H   UNK A   0       0.667  -0.433  -1.599  1.00  0.00           H  
HETATM   54  H   UNK A   0       1.105   1.110  -2.369  1.00  0.00           H  
HETATM   55  H   UNK A   0       8.885   1.551  -0.613  1.00  0.00           H  
CONECT    1    2    9   55                                            
CONECT    2   11    3    3    1                                       
CONECT    3    2    2    4                                            
CONECT    4    3   10   10    8                                       
CONECT    5    9    6   33                                            
CONECT    6    7    7    5   29                                       
CONECT    7    8    6    6   34                                       
CONECT    8    4    9    9    7                                       
CONECT    9    1    8    8    5                                       
CONECT   10    4    4                                                 
CONECT   11    2   35   36                                            
CONECT   12   16   13                                                 
CONECT   13   12   14   14   17                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   16   14   38                                       
CONECT   16   32   15   15   12                                       
CONECT   17   13   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   39                                            
CONECT   20   26   19   21   40                                       
CONECT   21   20   22   41   42                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   45                                                 
CONECT   26   28   28   27   20                                       
CONECT   27   26   46                                                 
CONECT   28   26   26                                                 
CONECT   29    6   30   47   48                                       
CONECT   30   29   31   49   50                                       
CONECT   31   30   32   51   52                                       
CONECT   32   31   16   53   54                                       
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55    1                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
