COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -3.490   1.109   1.144  1.00  0.00           N  
HETATM    2  C   UNK A   0      -3.045   1.803   0.081  1.00  0.00           C  
HETATM    3  C   UNK A   0      -0.914   0.873   0.312  1.00  0.00           C  
HETATM    4  C   UNK A   0      -1.372   0.129   1.426  1.00  0.00           C  
HETATM    5  C   UNK A   0      -1.367  -3.756  -0.737  1.00  0.00           C  
HETATM    6  C   UNK A   0      -0.436  -0.791   2.167  1.00  0.00           C  
HETATM    7  C   UNK A   0       6.150  -0.368  -1.617  1.00  0.00           C  
ATOM      8  O   GLU A   1      10.028  -1.866  -1.201  1.00  0.00           O  
HETATM    9  O   UNK A   0      -3.805   2.544  -0.512  1.00  0.00           O  
ATOM     10  N   GLU A   1       8.378   0.116  -0.732  1.00  0.00           N  
ATOM     11  CA  GLU A   1       9.789   0.461  -0.917  1.00  0.00           C  
HETATM   12  C   UNK A   0       7.571  -0.021  -1.804  1.00  0.00           C  
HETATM   13  O   UNK A   0       8.015   0.143  -2.924  1.00  0.00           O  
ATOM     14  CB  GLU A   1      10.316   1.148   0.344  1.00  0.00           C  
ATOM     15  CG  GLU A   1       9.594   2.484   0.536  1.00  0.00           C  
ATOM     16  CD  GLU A   1      10.113   3.161   1.778  1.00  0.00           C  
ATOM     17  OE1 GLU A   1      10.972   2.630   2.442  1.00  0.00           O  
ATOM     18  OE2 GLU A   1       9.621   4.354   2.148  1.00  0.00           O  
HETATM   19  C   UNK A   0      -4.883   1.253   1.572  1.00  0.00           C  
HETATM   20  C   UNK A   0       5.312  -0.510  -2.727  1.00  0.00           C  
HETATM   21  C   UNK A   0       3.987  -0.835  -2.550  1.00  0.00           C  
HETATM   22  C   UNK A   0       3.480  -1.021  -1.267  1.00  0.00           C  
HETATM   23  C   UNK A   0       4.311  -0.881  -0.160  1.00  0.00           C  
HETATM   24  C   UNK A   0       5.639  -0.562  -0.330  1.00  0.00           C  
HETATM   25  C   UNK A   0      -4.146  -3.776   1.669  1.00  0.00           C  
HETATM   26  C   UNK A   0      -5.135   2.692   2.062  1.00  0.00           C  
HETATM   27  C   UNK A   0      -6.272   3.210   1.149  1.00  0.00           C  
HETATM   28  C   UNK A   0      -2.520  -2.468   2.643  1.00  0.00           C  
HETATM   29  C   UNK A   0      -6.902   1.891   0.634  1.00  0.00           C  
HETATM   30  C   UNK A   0      -1.693  -2.687   1.526  1.00  0.00           C  
HETATM   31  C   UNK A   0      -7.614   2.118  -0.701  1.00  0.00           C  
HETATM   32  C   UNK A   0      -2.655   0.265   1.825  1.00  0.00           C  
HETATM   33  C   UNK A   0       0.152  -2.016   0.167  1.00  0.00           C  
HETATM   34  C   UNK A   0       0.101  -3.404  -0.483  1.00  0.00           C  
HETATM   35  C   UNK A   0      -2.176  -3.472   0.502  1.00  0.00           C  
HETATM   36  C   UNK A   0       1.605  -1.546   0.258  1.00  0.00           C  
ATOM     37  C   GLU A   1      10.584  -0.794  -1.175  1.00  0.00           C  
HETATM   38  N   UNK A   0      -3.394  -3.998   0.605  1.00  0.00           N  
HETATM   39  N   UNK A   0       2.140  -1.349  -1.091  1.00  0.00           N  
HETATM   40  N   UNK A   0      -1.769   1.690  -0.335  1.00  0.00           N  
HETATM   41  N   UNK A   0      -3.724  -3.024   2.675  1.00  0.00           N  
HETATM   42  N   UNK A   0      -0.421  -2.106   1.513  1.00  0.00           N  
HETATM   43  N   UNK A   0      -5.409  -4.346   1.735  1.00  0.00           N  
HETATM   44  N   UNK A   0      -2.082  -1.680   3.698  1.00  0.00           N  
HETATM   45  O   UNK A   0      -8.289   1.182  -3.605  1.00  0.00           O  
ATOM     46  OXT GLU A   1      11.909  -0.720  -1.375  1.00  0.00           O  
HETATM   47  O   UNK A   0     -10.413   1.774  -2.376  1.00  0.00           O  
HETATM   48  O   UNK A   0      -7.222   3.970   1.899  1.00  0.00           O  
HETATM   49  O   UNK A   0      -9.635  -0.723  -2.641  1.00  0.00           O  
HETATM   50  O   UNK A   0       0.239   0.766  -0.066  1.00  0.00           O  
HETATM   51  O   UNK A   0      -5.763   1.020   0.460  1.00  0.00           O  
HETATM   52  O   UNK A   0      -8.283   0.919  -1.095  1.00  0.00           O  
HETATM   53  P   UNK A   0      -9.136   0.797  -2.455  1.00  0.00           P  
HETATM   54  H   UNK A   0      -1.747  -3.155  -1.563  1.00  0.00           H  
HETATM   55  H   UNK A   0      -1.449  -4.813  -0.990  1.00  0.00           H  
HETATM   56  H   UNK A   0       0.569  -0.370   2.159  1.00  0.00           H  
HETATM   57  H   UNK A   0      -0.775  -0.901   3.197  1.00  0.00           H  
ATOM     58  H   GLU A   1       8.023  -0.015   0.161  1.00  0.00           H  
ATOM     59  HA  GLU A   1       9.890   1.135  -1.768  1.00  0.00           H  
ATOM     60  HB1 GLU A   1      10.134   0.510   1.209  1.00  0.00           H  
ATOM     61  HB2 GLU A   1      11.387   1.325   0.241  1.00  0.00           H  
ATOM     62  HG1 GLU A   1       9.776   3.122  -0.329  1.00  0.00           H  
ATOM     63  HG2 GLU A   1       8.524   2.307   0.638  1.00  0.00           H  
ATOM     64  HE2 GLU A   1       9.985   4.749   2.952  1.00  0.00           H  
HETATM   65  H   UNK A   0      -5.099   0.545   2.373  1.00  0.00           H  
HETATM   66  H   UNK A   0       5.705  -0.365  -3.723  1.00  0.00           H  
HETATM   67  H   UNK A   0       3.339  -0.944  -3.407  1.00  0.00           H  
HETATM   68  H   UNK A   0       3.915  -1.026   0.835  1.00  0.00           H  
HETATM   69  H   UNK A   0       6.285  -0.458   0.529  1.00  0.00           H  
HETATM   70  H   UNK A   0      -5.453   2.690   3.105  1.00  0.00           H  
HETATM   71  H   UNK A   0      -4.239   3.300   1.937  1.00  0.00           H  
HETATM   72  H   UNK A   0      -5.871   3.798   0.323  1.00  0.00           H  
HETATM   73  H   UNK A   0      -7.592   1.481   1.371  1.00  0.00           H  
HETATM   74  H   UNK A   0      -8.343   2.921  -0.591  1.00  0.00           H  
HETATM   75  H   UNK A   0      -6.883   2.394  -1.461  1.00  0.00           H  
HETATM   76  H   UNK A   0      -3.020  -0.288   2.677  1.00  0.00           H  
HETATM   77  H   UNK A   0      -0.424  -1.311  -0.431  1.00  0.00           H  
HETATM   78  H   UNK A   0       0.545  -4.141   0.185  1.00  0.00           H  
HETATM   79  H   UNK A   0       0.644  -3.388  -1.428  1.00  0.00           H  
HETATM   80  H   UNK A   0       1.648  -0.605   0.807  1.00  0.00           H  
HETATM   81  H   UNK A   0       2.198  -2.297   0.778  1.00  0.00           H  
HETATM   82  H   UNK A   0       1.559  -1.446  -1.862  1.00  0.00           H  
HETATM   83  H   UNK A   0      -1.465   2.197  -1.104  1.00  0.00           H  
HETATM   84  H   UNK A   0      -5.730  -4.899   1.006  1.00  0.00           H  
HETATM   85  H   UNK A   0      -5.971  -4.191   2.510  1.00  0.00           H  
HETATM   86  H   UNK A   0      -2.621  -0.933   4.002  1.00  0.00           H  
HETATM   87  H   UNK A   0      -1.236  -1.876   4.131  1.00  0.00           H  
ATOM     88  HXT GLU A   1      12.376  -1.551  -1.536  1.00  0.00           H  
HETATM   89  H   UNK A   0     -11.013   1.579  -1.644  1.00  0.00           H  
HETATM   90  H   UNK A   0      -6.853   4.759   2.317  1.00  0.00           H  
HETATM   91  H   UNK A   0     -10.157  -0.871  -3.441  1.00  0.00           H  
CONECT    1    2   19   32                                            
CONECT    2    1    9    9   40                                       
CONECT    3    4   40   50   50                                       
CONECT    4    3    6   32   32                                       
CONECT    5   34   35   54   55                                       
CONECT    6    4   42   56   57                                       
CONECT    7   12   20   20   24                                       
CONECT    8   37   37                                                 
CONECT    9    2    2                                                 
CONECT   10   11   12   58                                            
CONECT   11   10   14   37   59                                       
CONECT   12    7   10   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   60   61                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   64                                                 
CONECT   19    1   26   51   65                                       
CONECT   20    7    7   21   66                                       
CONECT   21   20   22   22   67                                       
CONECT   22   21   21   23   39                                       
CONECT   23   22   24   24   68                                       
CONECT   24    7   23   23   69                                       
CONECT   25   38   38   41   43                                       
CONECT   26   19   27   70   71                                       
CONECT   27   26   29   48   72                                       
CONECT   28   30   41   41   44                                       
CONECT   29   27   31   51   73                                       
CONECT   30   28   35   35   42                                       
CONECT   31   29   52   74   75                                       
CONECT   32    1    4    4   76                                       
CONECT   33   34   36   42   77                                       
CONECT   34    5   33   78   79                                       
CONECT   35    5   30   30   38                                       
CONECT   36   33   39   80   81                                       
CONECT   37    8    8   11   46                                       
CONECT   38   25   25   35                                            
CONECT   39   22   36   82                                            
CONECT   40    2    3   83                                            
CONECT   41   25   28   28                                            
CONECT   42    6   30   33                                            
CONECT   43   25   84   85                                            
CONECT   44   28   86   87                                            
CONECT   45   53   53                                                 
CONECT   46   37   88                                                 
CONECT   47   53   89                                                 
CONECT   48   27   90                                                 
CONECT   49   53   91                                                 
CONECT   50    3    3                                                 
CONECT   51   19   29                                                 
CONECT   52   31   53                                                 
CONECT   53   45   45   47   49                                       
CONECT   53   52                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
