COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       2.969   0.332  -0.180  1.00  0.00           C  
HETATM    2  C   UNK A   0       2.616  -1.644  -1.521  1.00  0.00           C  
HETATM    3  C   UNK A   0       1.289  -1.298  -1.670  1.00  0.00           C  
HETATM    4  N   UNK A   0      -8.738   1.419   0.757  1.00  0.00           N  
HETATM    5  C   UNK A   0      -9.830   0.916   0.130  1.00  0.00           C  
HETATM    6  N   UNK A   0      -9.788  -0.202  -0.562  1.00  0.00           N  
HETATM    7  C   UNK A   0      -8.656  -0.905  -0.684  1.00  0.00           C  
HETATM    8  S   UNK A   0      -5.952   1.177   1.372  1.00  0.00           S  
HETATM    9  C   UNK A   0      -5.210  -0.255   0.684  1.00  0.00           C  
HETATM   10  C   UNK A   0      -6.089  -0.964   0.000  1.00  0.00           C  
HETATM   11  C   UNK A   0      -7.429  -0.410  -0.024  1.00  0.00           C  
HETATM   12  C   UNK A   0      -7.520   0.772   0.688  1.00  0.00           C  
HETATM   13  O   UNK A   0      -8.637  -1.940  -1.330  1.00  0.00           O  
HETATM   14  N   UNK A   0     -11.016   1.594   0.220  1.00  0.00           N  
HETATM   15  C   UNK A   0       3.467  -0.829  -0.773  1.00  0.00           C  
HETATM   16  C   UNK A   0       4.890  -1.194  -0.609  1.00  0.00           C  
HETATM   17  O   UNK A   0       5.322  -2.206  -1.127  1.00  0.00           O  
ATOM     18  N   GLU A   1       5.709  -0.406   0.114  1.00  0.00           N  
ATOM     19  CA  GLU A   1       7.120  -0.767   0.276  1.00  0.00           C  
ATOM     20  CB  GLU A   1       7.941   0.493   0.556  1.00  0.00           C  
ATOM     21  CG  GLU A   1       7.896   1.413  -0.665  1.00  0.00           C  
ATOM     22  CD  GLU A   1       8.705   2.655  -0.389  1.00  0.00           C  
ATOM     23  OE2 GLU A   1       8.809   3.610  -1.326  1.00  0.00           O  
ATOM     24  OE1 GLU A   1       9.259   2.789   0.676  1.00  0.00           O  
ATOM     25  C   GLU A   1       7.263  -1.727   1.429  1.00  0.00           C  
ATOM     26  OXT GLU A   1       8.475  -2.197   1.764  1.00  0.00           O  
ATOM     27  O   GLU A   1       6.287  -2.074   2.051  1.00  0.00           O  
HETATM   28  C   UNK A   0      -3.759  -0.627   0.850  1.00  0.00           C  
HETATM   29  C   UNK A   0      -2.940  -0.010  -0.285  1.00  0.00           C  
HETATM   30  C   UNK A   0      -1.467  -0.388  -0.115  1.00  0.00           C  
HETATM   31  C   UNK A   0      -0.648   0.230  -1.251  1.00  0.00           C  
HETATM   32  C   UNK A   0       0.802  -0.143  -1.084  1.00  0.00           C  
HETATM   33  C   UNK A   0       1.640   0.667  -0.337  1.00  0.00           C  
HETATM   34  H   UNK A   0       3.621   0.964   0.404  1.00  0.00           H  
HETATM   35  H   UNK A   0       2.994  -2.546  -1.980  1.00  0.00           H  
HETATM   36  H   UNK A   0       0.628  -1.929  -2.246  1.00  0.00           H  
HETATM   37  H   UNK A   0      -5.830  -1.884  -0.502  1.00  0.00           H  
HETATM   38  H   UNK A   0     -11.065   2.420   0.727  1.00  0.00           H  
HETATM   39  H   UNK A   0     -11.807   1.249  -0.222  1.00  0.00           H  
ATOM     40  H   GLU A   1       5.365   0.402   0.527  1.00  0.00           H  
ATOM     41  HA  GLU A   1       7.481  -1.240  -0.638  1.00  0.00           H  
ATOM     42  HB1 GLU A   1       7.524   1.014   1.418  1.00  0.00           H  
ATOM     43  HB2 GLU A   1       8.974   0.215   0.765  1.00  0.00           H  
ATOM     44  HG1 GLU A   1       8.313   0.892  -1.527  1.00  0.00           H  
ATOM     45  HG2 GLU A   1       6.863   1.691  -0.873  1.00  0.00           H  
ATOM     46  HE2 GLU A   1       9.338   4.388  -1.102  1.00  0.00           H  
ATOM     47  HXT GLU A   1       8.517  -2.810   2.510  1.00  0.00           H  
HETATM   48  H   UNK A   0      -3.395  -0.252   1.807  1.00  0.00           H  
HETATM   49  H   UNK A   0      -3.657  -1.712   0.824  1.00  0.00           H  
HETATM   50  H   UNK A   0      -3.304  -0.386  -1.241  1.00  0.00           H  
HETATM   51  H   UNK A   0      -3.042   1.075  -0.258  1.00  0.00           H  
HETATM   52  H   UNK A   0      -1.104  -0.012   0.841  1.00  0.00           H  
HETATM   53  H   UNK A   0      -1.365  -1.473  -0.142  1.00  0.00           H  
HETATM   54  H   UNK A   0      -1.012  -0.146  -2.207  1.00  0.00           H  
HETATM   55  H   UNK A   0      -0.751   1.314  -1.224  1.00  0.00           H  
HETATM   56  H   UNK A   0       1.252   1.563   0.125  1.00  0.00           H  
HETATM   57  H   UNK A   0      -8.813   2.247   1.257  1.00  0.00           H  
CONECT    1   15   33   33   34                                       
CONECT    2   15   15    3   35                                       
CONECT    3    2   32   32   36                                       
CONECT    4   12    5   57                                            
CONECT    5    4    6    6   14                                       
CONECT    6    7    5    5                                            
CONECT    7   11   13   13    6                                       
CONECT    8    9   12                                                 
CONECT    9   28    8   10   10                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   12   12    7                                       
CONECT   12    8   11   11    4                                       
CONECT   13    7    7                                                 
CONECT   14    5   38   39                                            
CONECT   15   16    2    2    1                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   40                                            
CONECT   19   25   18   20   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   22   20   44   45                                       
CONECT   22   24   24   23   21                                       
CONECT   23   22   46                                                 
CONECT   24   22   22                                                 
CONECT   25   27   27   19   26                                       
CONECT   26   25   47                                                 
CONECT   27   25   25                                                 
CONECT   28   29    9   48   49                                       
CONECT   29   30   28   50   51                                       
CONECT   30   31   29   52   53                                       
CONECT   31   32   30   54   55                                       
CONECT   32    3    3   33   31                                       
CONECT   33    1    1   32   56                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   33                                                      
CONECT   57    4                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
