COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       5.257  -0.050   0.690  1.00  0.00           C  
HETATM    2  C   UNK A   0       4.371  -0.052  -0.386  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.341  -1.203  -1.226  1.00  0.00           C  
HETATM    4  C   UNK A   0       3.205   3.405   0.619  1.00  0.00           C  
HETATM    5  N   UNK A   0       5.164  -2.233  -0.949  1.00  0.00           N  
HETATM    6  N   UNK A   0       6.837  -3.234   0.381  1.00  0.00           N  
HETATM    7  C   UNK A   0       3.874   2.061   0.488  1.00  0.00           C  
HETATM    8  N   UNK A   0       6.046  -1.123   0.905  1.00  0.00           N  
HETATM    9  C   UNK A   0       1.962   3.273   1.501  1.00  0.00           C  
HETATM   10  S   UNK A   0       5.114   1.463   1.574  1.00  0.00           S  
HETATM   11  C   UNK A   0       6.009  -2.171   0.119  1.00  0.00           C  
HETATM   12  O   UNK A   0       3.584  -1.254  -2.180  1.00  0.00           O  
HETATM   13  C   UNK A   0       3.600   1.179  -0.461  1.00  0.00           C  
HETATM   14  S   UNK A   0       2.397   1.472  -1.714  1.00  0.00           S  
HETATM   15  C   UNK A   0       0.916   0.841  -0.999  1.00  0.00           C  
HETATM   16  C   UNK A   0       0.942   0.291   0.281  1.00  0.00           C  
HETATM   17  C   UNK A   0      -0.205  -0.199   0.839  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.280   0.899  -1.711  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.430   0.411  -1.158  1.00  0.00           C  
HETATM   20  C   UNK A   0      -1.406  -0.147   0.124  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.645  -0.675   0.723  1.00  0.00           C  
HETATM   22  O   UNK A   0      -2.624  -1.157   1.840  1.00  0.00           O  
ATOM     23  N   GLU A   1      -3.802  -0.625   0.033  1.00  0.00           N  
ATOM     24  CA  GLU A   1      -5.034  -1.150   0.628  1.00  0.00           C  
ATOM     25  C   GLU A   1      -5.118  -2.634   0.380  1.00  0.00           C  
ATOM     26  OXT GLU A   1      -6.169  -3.332   0.839  1.00  0.00           O  
ATOM     27  O   GLU A   1      -4.240  -3.196  -0.230  1.00  0.00           O  
ATOM     28  CB  GLU A   1      -6.242  -0.458  -0.006  1.00  0.00           C  
ATOM     29  CG  GLU A   1      -6.222   1.030   0.350  1.00  0.00           C  
ATOM     30  CD  GLU A   1      -7.412   1.712  -0.274  1.00  0.00           C  
ATOM     31  OE2 GLU A   1      -7.601   3.029  -0.094  1.00  0.00           O  
ATOM     32  OE1 GLU A   1      -8.195   1.074  -0.936  1.00  0.00           O  
HETATM   33  H   UNK A   0       3.898   4.114   1.072  1.00  0.00           H  
HETATM   34  H   UNK A   0       2.913   3.763  -0.369  1.00  0.00           H  
HETATM   35  H   UNK A   0       5.155  -3.023  -1.512  1.00  0.00           H  
HETATM   36  H   UNK A   0       6.817  -4.016  -0.191  1.00  0.00           H  
HETATM   37  H   UNK A   0       7.443  -3.202   1.138  1.00  0.00           H  
HETATM   38  H   UNK A   0       1.269   2.564   1.048  1.00  0.00           H  
HETATM   39  H   UNK A   0       2.254   2.915   2.489  1.00  0.00           H  
HETATM   40  H   UNK A   0       1.478   4.245   1.596  1.00  0.00           H  
HETATM   41  H   UNK A   0       1.870   0.251   0.833  1.00  0.00           H  
HETATM   42  H   UNK A   0      -0.184  -0.626   1.831  1.00  0.00           H  
HETATM   43  H   UNK A   0      -0.298   1.330  -2.701  1.00  0.00           H  
HETATM   44  H   UNK A   0      -2.357   0.456  -1.711  1.00  0.00           H  
ATOM     45  H   GLU A   1      -3.819  -0.242  -0.858  1.00  0.00           H  
ATOM     46  HA  GLU A   1      -5.028  -0.960   1.701  1.00  0.00           H  
ATOM     47  HXT GLU A   1      -6.179  -4.281   0.655  1.00  0.00           H  
ATOM     48  HB1 GLU A   1      -6.199  -0.572  -1.089  1.00  0.00           H  
ATOM     49  HB2 GLU A   1      -7.159  -0.910   0.372  1.00  0.00           H  
ATOM     50  HG1 GLU A   1      -6.264   1.145   1.434  1.00  0.00           H  
ATOM     51  HG2 GLU A   1      -5.305   1.482  -0.027  1.00  0.00           H  
ATOM     52  HE2 GLU A   1      -8.379   3.422  -0.514  1.00  0.00           H  
CONECT    1    8    2    2   10                                       
CONECT    2    1    1    3   13                                       
CONECT    3    2    5   12   12                                       
CONECT    4    7    9   33   34                                       
CONECT    5    3   11   35                                            
CONECT    6   11   36   37                                            
CONECT    7    4   10   13   13                                       
CONECT    8    1   11   11                                            
CONECT    9    4   38   39   40                                       
CONECT   10    1    7                                                 
CONECT   11    5    6    8    8                                       
CONECT   12    3    3                                                 
CONECT   13    2    7    7   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   20   20   42                                       
CONECT   18   15   19   19   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   17   17   19   21                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   45                                            
CONECT   24   23   28   25   46                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   47                                                 
CONECT   27   25   25                                                 
CONECT   28   24   29   48   49                                       
CONECT   29   28   30   50   51                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30   52                                                 
CONECT   32   30   30                                                 
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
