COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       8.804  -3.049   0.592  1.00  0.00           N  
HETATM    2  C   UNK A   0       7.847  -2.063   0.439  1.00  0.00           C  
HETATM    3  N   UNK A   0       6.574  -2.401   0.507  1.00  0.00           N  
HETATM    4  C   UNK A   0       5.617  -1.471   0.368  1.00  0.00           C  
HETATM    5  C   UNK A   0       6.001  -0.127   0.138  1.00  0.00           C  
HETATM    6  C   UNK A   0       5.018   0.857  -0.015  1.00  0.00           C  
HETATM    7  C   UNK A   0       3.701   0.509   0.060  1.00  0.00           C  
HETATM    8  C   UNK A   0       3.322  -0.811   0.286  1.00  0.00           C  
HETATM    9  C   UNK A   0       4.255  -1.793   0.440  1.00  0.00           C  
HETATM   10  S   UNK A   0       2.429   1.781  -0.137  1.00  0.00           S  
HETATM   11  O   UNK A   0       3.355   2.527  -1.296  1.00  0.00           O  
HETATM   12  O   UNK A   0       1.262   2.948  -0.318  1.00  0.00           O  
HETATM   13  N   UNK A   0       1.272   0.553  -0.598  1.00  0.00           N  
HETATM   14  C   UNK A   0      -0.096   0.789  -0.444  1.00  0.00           C  
HETATM   15  C   UNK A   0      -0.765   1.617  -1.336  1.00  0.00           C  
HETATM   16  C   UNK A   0      -2.118   1.848  -1.180  1.00  0.00           C  
HETATM   17  C   UNK A   0      -2.807   1.255  -0.138  1.00  0.00           C  
HETATM   18  C   UNK A   0      -2.144   0.430   0.752  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.792   0.191   0.599  1.00  0.00           C  
HETATM   20  C   UNK A   0      -4.282   1.510   0.029  1.00  0.00           C  
HETATM   21  O   UNK A   0      -4.477   2.652   0.865  1.00  0.00           O  
ATOM     22  N   GLU A   1      -4.915   0.337   0.648  1.00  0.00           N  
ATOM     23  CA  GLU A   1      -6.205   0.147  -0.028  1.00  0.00           C  
ATOM     24  CB  GLU A   1      -6.628  -1.319   0.081  1.00  0.00           C  
ATOM     25  CG  GLU A   1      -5.636  -2.194  -0.687  1.00  0.00           C  
ATOM     26  CD  GLU A   1      -6.052  -3.639  -0.580  1.00  0.00           C  
ATOM     27  OE1 GLU A   1      -5.324  -4.594  -1.181  1.00  0.00           O  
ATOM     28  OE2 GLU A   1      -7.040  -3.938   0.047  1.00  0.00           O  
ATOM     29  C   GLU A   1      -7.247   1.020   0.624  1.00  0.00           C  
ATOM     30  O   GLU A   1      -8.509   1.012   0.169  1.00  0.00           O  
ATOM     31  OXT GLU A   1      -6.945   1.727   1.556  1.00  0.00           O  
HETATM   32  C   UNK A   0       7.382   0.175   0.070  1.00  0.00           C  
HETATM   33  O   UNK A   0       7.805   1.441  -0.148  1.00  0.00           O  
HETATM   34  N   UNK A   0       8.249  -0.812   0.224  1.00  0.00           N  
HETATM   35  H   UNK A   0       9.746  -2.823   0.542  1.00  0.00           H  
HETATM   36  H   UNK A   0       8.533  -3.967   0.753  1.00  0.00           H  
HETATM   37  H   UNK A   0       5.300   1.885  -0.190  1.00  0.00           H  
HETATM   38  H   UNK A   0       2.273  -1.061   0.341  1.00  0.00           H  
HETATM   39  H   UNK A   0       3.947  -2.813   0.616  1.00  0.00           H  
HETATM   40  H   UNK A   0       4.161   2.002  -1.390  1.00  0.00           H  
HETATM   41  H   UNK A   0       0.777   2.990   0.518  1.00  0.00           H  
HETATM   42  H   UNK A   0       1.580  -0.292  -0.962  1.00  0.00           H  
HETATM   43  H   UNK A   0      -0.228   2.081  -2.150  1.00  0.00           H  
HETATM   44  H   UNK A   0      -2.638   2.492  -1.873  1.00  0.00           H  
HETATM   45  H   UNK A   0      -2.685  -0.032   1.565  1.00  0.00           H  
HETATM   46  H   UNK A   0      -0.275  -0.454   1.294  1.00  0.00           H  
HETATM   47  H   UNK A   0      -4.732   1.693  -0.946  1.00  0.00           H  
HETATM   48  H   UNK A   0      -4.066   2.449   1.717  1.00  0.00           H  
ATOM     49  H   GLU A   1      -4.343  -0.460   0.410  1.00  0.00           H  
ATOM     50  HA  GLU A   1      -6.108   0.420  -1.079  1.00  0.00           H  
ATOM     51  HB1 GLU A   1      -6.638  -1.617   1.130  1.00  0.00           H  
ATOM     52  HB2 GLU A   1      -7.625  -1.443  -0.342  1.00  0.00           H  
ATOM     53  HG1 GLU A   1      -5.625  -1.897  -1.736  1.00  0.00           H  
ATOM     54  HG2 GLU A   1      -4.639  -2.071  -0.265  1.00  0.00           H  
ATOM     55  HE1 GLU A   1      -5.591  -5.520  -1.112  1.00  0.00           H  
ATOM     56  H   GLU A   1      -9.178   1.572   0.587  1.00  0.00           H  
HETATM   57  H   UNK A   0       7.881   1.549  -1.106  1.00  0.00           H  
CONECT    1    2   35   36                                            
CONECT    2    1    3    3   34                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   38                                       
CONECT    9    4    8    8   39                                       
CONECT   10    7   11   12   13                                       
CONECT   11   10   40                                                 
CONECT   12   10   41                                                 
CONECT   13   10   14   42                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   19   45                                       
CONECT   19   14   18   18   46                                       
CONECT   20   17   21   22   47                                       
CONECT   21   20   48                                                 
CONECT   22   20   23   49                                            
CONECT   23   22   24   29   50                                       
CONECT   24   23   25   51   52                                       
CONECT   25   24   26   53   54                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   55                                                 
CONECT   28   26   26                                                 
CONECT   29   23   30   31   31                                       
CONECT   30   29   56                                                 
CONECT   31   29   29                                                 
CONECT   32    5   33   34   34                                       
CONECT   33   32   57                                                 
CONECT   34    2   32   32                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
