COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       6.228   1.266   2.803  1.00  0.00           O  
HETATM    2  C   UNK A   0       6.961   0.500   2.201  1.00  0.00           C  
HETATM    3  N   UNK A   0       8.267   0.403   2.514  1.00  0.00           N  
HETATM    4  C   UNK A   0       9.065  -0.412   1.881  1.00  0.00           C  
HETATM    5  C   UNK A   0      10.514  -0.457   2.295  1.00  0.00           C  
HETATM    6  O   UNK A   0      10.732   0.462   3.367  1.00  0.00           O  
HETATM    7  N   UNK A   0       8.663  -1.213   0.879  1.00  0.00           N  
HETATM    8  C   UNK A   0       7.347  -1.209   0.463  1.00  0.00           C  
HETATM    9  C   UNK A   0       6.442  -0.351   1.116  1.00  0.00           C  
HETATM   10  C   UNK A   0       5.108  -0.319   0.723  1.00  0.00           C  
HETATM   11  C   UNK A   0       6.897  -2.022  -0.566  1.00  0.00           C  
HETATM   12  C   UNK A   0       5.569  -1.983  -0.948  1.00  0.00           C  
HETATM   13  C   UNK A   0       4.678  -1.132  -0.307  1.00  0.00           C  
HETATM   14  C   UNK A   0       4.844  -2.761  -2.026  1.00  0.00           C  
HETATM   15  C   UNK A   0       3.345  -2.622  -1.686  1.00  0.00           C  
HETATM   16  C   UNK A   0       3.300  -1.286  -0.916  1.00  0.00           C  
HETATM   17  N   UNK A   0       3.024  -0.178  -1.834  1.00  0.00           N  
HETATM   18  C   UNK A   0       3.978   0.148  -2.896  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.643  -0.616  -4.109  1.00  0.00           C  
HETATM   20  C   UNK A   0       3.376  -1.226  -5.076  1.00  0.00           C  
HETATM   21  C   UNK A   0       1.855   0.564  -1.697  1.00  0.00           C  
HETATM   22  C   UNK A   0       1.537   1.538  -2.640  1.00  0.00           C  
HETATM   23  C   UNK A   0       0.382   2.273  -2.507  1.00  0.00           C  
HETATM   24  C   UNK A   0       1.004   0.327  -0.622  1.00  0.00           C  
HETATM   25  C   UNK A   0      -0.153   1.059  -0.484  1.00  0.00           C  
HETATM   26  C   UNK A   0      -0.473   2.042  -1.425  1.00  0.00           C  
HETATM   27  C   UNK A   0      -1.712   2.829  -1.280  1.00  0.00           C  
HETATM   28  O   UNK A   0      -1.991   3.680  -2.102  1.00  0.00           O  
ATOM     29  N   GLU A   1      -2.534   2.605  -0.236  1.00  0.00           N  
ATOM     30  CA  GLU A   1      -3.765   3.386  -0.092  1.00  0.00           C  
ATOM     31  C   GLU A   1      -3.457   4.681   0.615  1.00  0.00           C  
ATOM     32  OXT GLU A   1      -4.440   5.563   0.858  1.00  0.00           O  
ATOM     33  O   GLU A   1      -2.326   4.926   0.962  1.00  0.00           O  
ATOM     34  CB  GLU A   1      -4.783   2.589   0.726  1.00  0.00           C  
ATOM     35  CG  GLU A   1      -5.189   1.334  -0.050  1.00  0.00           C  
ATOM     36  CD  GLU A   1      -6.192   0.548   0.755  1.00  0.00           C  
ATOM     37  OE1 GLU A   1      -6.547   0.952   1.842  1.00  0.00           O  
ATOM     38  N   GLU A   1      -6.694  -0.603   0.267  1.00  0.00           N  
ATOM     39  CA  GLU A   1      -7.669  -1.367   1.050  1.00  0.00           C  
ATOM     40  C   GLU A   1      -9.052  -0.825   0.797  1.00  0.00           C  
ATOM     41  O   GLU A   1      -9.208   0.105   0.040  1.00  0.00           O  
ATOM     42  OXT GLU A   1     -10.111  -1.374   1.412  1.00  0.00           O  
ATOM     43  CB  GLU A   1      -7.615  -2.839   0.636  1.00  0.00           C  
ATOM     44  CG  GLU A   1      -6.251  -3.423   1.007  1.00  0.00           C  
ATOM     45  CD  GLU A   1      -6.197  -4.873   0.599  1.00  0.00           C  
ATOM     46  OE1 GLU A   1      -7.152  -5.386   0.066  1.00  0.00           O  
ATOM     47  OE2 GLU A   1      -5.088  -5.594   0.828  1.00  0.00           O  
HETATM   48  H   UNK A   0      10.766  -1.466   2.623  1.00  0.00           H  
HETATM   49  H   UNK A   0      11.142  -0.183   1.447  1.00  0.00           H  
HETATM   50  H   UNK A   0      11.645   0.485   3.685  1.00  0.00           H  
HETATM   51  H   UNK A   0       9.303  -1.798   0.444  1.00  0.00           H  
HETATM   52  H   UNK A   0       4.411   0.338   1.222  1.00  0.00           H  
HETATM   53  H   UNK A   0       7.584  -2.686  -1.069  1.00  0.00           H  
HETATM   54  H   UNK A   0       5.051  -2.332  -3.006  1.00  0.00           H  
HETATM   55  H   UNK A   0       5.142  -3.809  -2.002  1.00  0.00           H  
HETATM   56  H   UNK A   0       2.746  -2.565  -2.595  1.00  0.00           H  
HETATM   57  H   UNK A   0       3.013  -3.445  -1.054  1.00  0.00           H  
HETATM   58  H   UNK A   0       2.543  -1.326  -0.132  1.00  0.00           H  
HETATM   59  H   UNK A   0       3.929   1.215  -3.114  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.986  -0.110  -2.571  1.00  0.00           H  
HETATM   61  H   UNK A   0       3.137  -1.771  -5.941  1.00  0.00           H  
HETATM   62  H   UNK A   0       2.197   1.716  -3.475  1.00  0.00           H  
HETATM   63  H   UNK A   0       0.135   3.029  -3.238  1.00  0.00           H  
HETATM   64  H   UNK A   0       1.252  -0.433   0.105  1.00  0.00           H  
HETATM   65  H   UNK A   0      -0.813   0.875   0.351  1.00  0.00           H  
ATOM     66  H   GLU A   1      -2.312   1.925   0.420  1.00  0.00           H  
ATOM     67  HA  GLU A   1      -4.177   3.599  -1.078  1.00  0.00           H  
ATOM     68  HXT GLU A   1      -4.194   6.379   1.314  1.00  0.00           H  
ATOM     69  HB1 GLU A   1      -4.338   2.299   1.678  1.00  0.00           H  
ATOM     70  HB2 GLU A   1      -5.664   3.204   0.909  1.00  0.00           H  
ATOM     71  HG1 GLU A   1      -5.634   1.623  -1.002  1.00  0.00           H  
ATOM     72  HG2 GLU A   1      -4.308   0.719  -0.233  1.00  0.00           H  
ATOM     73  H   GLU A   1      -6.411  -0.926  -0.602  1.00  0.00           H  
ATOM     74  HA  GLU A   1      -7.433  -1.279   2.110  1.00  0.00           H  
ATOM     75  HXT GLU A   1     -10.978  -0.992   1.218  1.00  0.00           H  
ATOM     76  HB1 GLU A   1      -8.400  -3.391   1.153  1.00  0.00           H  
ATOM     77  HB2 GLU A   1      -7.763  -2.919  -0.441  1.00  0.00           H  
ATOM     78  HG1 GLU A   1      -5.466  -2.871   0.490  1.00  0.00           H  
ATOM     79  HG2 GLU A   1      -6.102  -3.343   2.084  1.00  0.00           H  
ATOM     80  HE2 GLU A   1      -5.101  -6.520   0.549  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    1    1    3                                       
CONECT    3    2    4    4                                            
CONECT    4    7    3    3    5                                       
CONECT    5    6    4   48   49                                       
CONECT    6    5   50                                                 
CONECT    7    8    4   51                                            
CONECT    8   11   11    9    7                                       
CONECT    9   10   10    8    2                                       
CONECT   10   13    9    9   52                                       
CONECT   11   12    8    8   53                                       
CONECT   12   14   13   13   11                                       
CONECT   13   16   12   12   10                                       
CONECT   14   15   12   54   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   17   15   13   58                                       
CONECT   17   21   18   16                                            
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   20   20                                       
CONECT   20   19   19   19   61                                       
CONECT   21   22   22   24   17                                       
CONECT   22   23   21   21   62                                       
CONECT   23   26   26   22   63                                       
CONECT   24   25   25   21   64                                       
CONECT   25   26   24   24   65                                       
CONECT   26   27   23   23   25                                       
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   66                                            
CONECT   30   34   31   29   67                                       
CONECT   31   33   33   30   32                                       
CONECT   32   31   68                                                 
CONECT   33   31   31                                                 
CONECT   34   35   30   69   70                                       
CONECT   35   36   34   71   72                                       
CONECT   36   38   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   39   36   73                                            
CONECT   39   40   43   38   74                                       
CONECT   40   41   41   42   39                                       
CONECT   41   40   40                                                 
CONECT   42   40   75                                                 
CONECT   43   44   39   76   77                                       
CONECT   44   43   45   78   79                                       
CONECT   45   46   46   44   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   80                                                 
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   47                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
