COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -2.772   2.725  -9.584  1.00  0.00           C  
HETATM    2  C   UNK A   0      -2.087   3.632 -10.312  1.00  0.00           C  
HETATM    3  C   UNK A   0      -0.719   3.399 -10.594  1.00  0.00           C  
HETATM    4  O   UNK A   0      -0.080   4.203 -11.248  1.00  0.00           O  
HETATM    5  N   UNK A   0      -0.130   2.278 -10.130  1.00  0.00           N  
HETATM    6  C   UNK A   0      -0.836   1.392  -9.403  1.00  0.00           C  
HETATM    7  O   UNK A   0      -0.291   0.386  -8.992  1.00  0.00           O  
HETATM    8  N   UNK A   0      -2.137   1.600  -9.133  1.00  0.00           N  
HETATM    9  C   UNK A   0      -2.880   0.615  -8.343  1.00  0.00           C  
HETATM   10  C   UNK A   0      -2.790  -0.789  -8.990  1.00  0.00           C  
HETATM   11  O   UNK A   0      -3.807  -0.961  -9.980  1.00  0.00           O  
HETATM   12  C   UNK A   0      -3.037  -1.723  -7.777  1.00  0.00           C  
HETATM   13  O   UNK A   0      -4.402  -2.143  -7.738  1.00  0.00           O  
HETATM   14  C   UNK A   0      -2.701  -0.845  -6.555  1.00  0.00           C  
HETATM   15  O   UNK A   0      -2.264   0.430  -7.050  1.00  0.00           O  
HETATM   16  C   UNK A   0      -1.583  -1.497  -5.738  1.00  0.00           C  
HETATM   17  O   UNK A   0      -1.274  -0.673  -4.613  1.00  0.00           O  
HETATM   18  P   UNK A   0      -0.097  -1.415  -3.802  1.00  0.00           P  
HETATM   19  O   UNK A   0      -0.565  -2.749  -3.364  1.00  0.00           O  
HETATM   20  O   UNK A   0       1.187  -1.584  -4.757  1.00  0.00           O  
HETATM   21  O   UNK A   0       0.303  -0.537  -2.514  1.00  0.00           O  
HETATM   22  P   UNK A   0       1.478  -1.334  -1.755  1.00  0.00           P  
HETATM   23  O   UNK A   0       2.635  -1.490  -2.664  1.00  0.00           O  
HETATM   24  O   UNK A   0       0.943  -2.786  -1.312  1.00  0.00           O  
HETATM   25  C   UNK A   0       2.969  -1.262   0.177  1.00  0.00           C  
HETATM   26  O   UNK A   0       1.930  -0.508  -0.449  1.00  0.00           O  
HETATM   27  C   UNK A   0       2.928  -1.018   1.688  1.00  0.00           C  
HETATM   28  N   UNK A   0       1.639  -1.464   2.222  1.00  0.00           N  
HETATM   29  C   UNK A   0       1.490  -2.733   2.652  1.00  0.00           C  
HETATM   30  O   UNK A   0       2.424  -3.505   2.596  1.00  0.00           O  
HETATM   31  C   UNK A   0       0.164  -3.191   3.201  1.00  0.00           C  
HETATM   32  C   UNK A   0       3.113   0.479   1.956  1.00  0.00           C  
HETATM   33  O   UNK A   0       3.233   0.703   3.362  1.00  0.00           O  
HETATM   34  C   UNK A   0       4.387   0.955   1.249  1.00  0.00           C  
HETATM   35  O   UNK A   0       4.495   2.375   1.363  1.00  0.00           O  
HETATM   36  C   UNK A   0       4.313   0.562  -0.228  1.00  0.00           C  
HETATM   37  O   UNK A   0       4.232  -0.856  -0.346  1.00  0.00           O  
HETATM   38  C   UNK A   0       5.566   1.061  -0.950  1.00  0.00           C  
HETATM   39  O   UNK A   0       5.499   0.694  -2.329  1.00  0.00           O  
HETATM   40  C   UNK A   0       1.967   1.190   3.813  1.00  0.00           C  
HETATM   41  C   UNK A   0       1.945   2.717   3.720  1.00  0.00           C  
HETATM   42  C   UNK A   0       1.748   0.770   5.243  1.00  0.00           C  
HETATM   43  O   UNK A   0       2.592   0.119   5.821  1.00  0.00           O  
ATOM     44  N   ALA A   1       0.613   1.119   5.882  1.00  0.00           N  
ATOM     45  CA  ALA A   1       0.400   0.711   7.273  1.00  0.00           C  
ATOM     46  CB  ALA A   1       0.954   1.785   8.210  1.00  0.00           C  
ATOM     47  C   ALA A   1      -1.075   0.537   7.525  1.00  0.00           C  
ATOM     48  O   ALA A   1      -1.870   0.735   6.631  1.00  0.00           O  
ATOM     49  N   GLU A   2      -1.511   0.162   8.744  1.00  0.00           N  
ATOM     50  CA  GLU A   2      -2.945  -0.006   8.989  1.00  0.00           C  
ATOM     51  CB  GLU A   2      -3.253   0.309  10.454  1.00  0.00           C  
ATOM     52  CG  GLU A   2      -2.850   1.753  10.760  1.00  0.00           C  
ATOM     53  CD  GLU A   2      -3.153   2.064  12.203  1.00  0.00           C  
ATOM     54  OE1 GLU A   2      -3.641   1.217  12.914  1.00  0.00           O  
ATOM     55  OE2 GLU A   2      -2.880   3.281  12.699  1.00  0.00           O  
ATOM     56  C   GLU A   2      -3.342  -1.428   8.687  1.00  0.00           C  
ATOM     57  O   GLU A   2      -4.459  -1.673   8.295  1.00  0.00           O  
ATOM     58  OXT GLU A   2      -2.456  -2.422   8.854  1.00  0.00           O  
HETATM   59  H   UNK A   0      -3.816   2.886  -9.360  1.00  0.00           H  
HETATM   60  H   UNK A   0      -2.575   4.525 -10.675  1.00  0.00           H  
HETATM   61  H   UNK A   0       0.806   2.111 -10.319  1.00  0.00           H  
HETATM   62  H   UNK A   0      -3.921   0.920  -8.231  1.00  0.00           H  
HETATM   63  H   UNK A   0      -1.802  -0.958  -9.418  1.00  0.00           H  
HETATM   64  H   UNK A   0      -3.696  -1.850 -10.343  1.00  0.00           H  
HETATM   65  H   UNK A   0      -2.374  -2.587  -7.819  1.00  0.00           H  
HETATM   66  H   UNK A   0      -4.566  -2.635  -8.555  1.00  0.00           H  
HETATM   67  H   UNK A   0      -3.588  -0.719  -5.935  1.00  0.00           H  
HETATM   68  H   UNK A   0      -0.696  -1.609  -6.361  1.00  0.00           H  
HETATM   69  H   UNK A   0      -1.911  -2.477  -5.392  1.00  0.00           H  
HETATM   70  H   UNK A   0       1.460  -0.694  -5.020  1.00  0.00           H  
HETATM   71  H   UNK A   0       0.191  -2.639  -0.722  1.00  0.00           H  
HETATM   72  H   UNK A   0       2.818  -2.323  -0.022  1.00  0.00           H  
HETATM   73  H   UNK A   0       3.734  -1.573   2.169  1.00  0.00           H  
HETATM   74  H   UNK A   0       0.893  -0.846   2.266  1.00  0.00           H  
HETATM   75  H   UNK A   0       0.236  -4.238   3.495  1.00  0.00           H  
HETATM   76  H   UNK A   0      -0.097  -2.587   4.069  1.00  0.00           H  
HETATM   77  H   UNK A   0      -0.603  -3.081   2.436  1.00  0.00           H  
HETATM   78  H   UNK A   0       2.253   1.028   1.570  1.00  0.00           H  
HETATM   79  H   UNK A   0       5.256   0.485   1.708  1.00  0.00           H  
HETATM   80  H   UNK A   0       5.308   2.631   0.905  1.00  0.00           H  
HETATM   81  H   UNK A   0       3.430   1.014  -0.679  1.00  0.00           H  
HETATM   82  H   UNK A   0       5.627   2.145  -0.865  1.00  0.00           H  
HETATM   83  H   UNK A   0       6.450   0.610  -0.497  1.00  0.00           H  
HETATM   84  H   UNK A   0       6.305   1.026  -2.747  1.00  0.00           H  
HETATM   85  H   UNK A   0       1.175   0.776   3.188  1.00  0.00           H  
HETATM   86  H   UNK A   0       2.724   3.131   4.360  1.00  0.00           H  
HETATM   87  H   UNK A   0       2.122   3.021   2.689  1.00  0.00           H  
HETATM   88  H   UNK A   0       0.973   3.087   4.046  1.00  0.00           H  
ATOM     89  H   ALA A   1      -0.062   1.640   5.420  1.00  0.00           H  
ATOM     90  HA  ALA A   1       0.913  -0.232   7.457  1.00  0.00           H  
ATOM     91  HB1 ALA A   1       0.441   2.729   8.025  1.00  0.00           H  
ATOM     92  HB2 ALA A   1       0.796   1.482   9.245  1.00  0.00           H  
ATOM     93  HB3 ALA A   1       2.022   1.911   8.028  1.00  0.00           H  
ATOM     94  H   GLU A   2      -0.875   0.004   9.459  1.00  0.00           H  
ATOM     95  HA  GLU A   2      -3.506   0.672   8.345  1.00  0.00           H  
ATOM     96  HB1 GLU A   2      -4.320   0.184  10.636  1.00  0.00           H  
ATOM     97  HB2 GLU A   2      -2.692  -0.368  11.097  1.00  0.00           H  
ATOM     98  HG1 GLU A   2      -1.782   1.879  10.578  1.00  0.00           H  
ATOM     99  HG2 GLU A   2      -3.410   2.431  10.117  1.00  0.00           H  
ATOM    100  HE2 GLU A   2      -3.075   3.480  13.625  1.00  0.00           H  
ATOM    101  HXT GLU A   2      -2.711  -3.334   8.660  1.00  0.00           H  
CONECT    1    2    2    8   59                                       
CONECT    2    1    1    3   60                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   61                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    1    6    9                                            
CONECT    9    8   10   15   62                                       
CONECT   10    9   11   12   63                                       
CONECT   11   10   64                                                 
CONECT   12   10   13   14   65                                       
CONECT   13   12   66                                                 
CONECT   14   12   15   16   67                                       
CONECT   15    9   14                                                 
CONECT   16   14   17   68   69                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   70                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   26                                                      
CONECT   23   22   22                                                 
CONECT   24   22   71                                                 
CONECT   25   26   27   37   72                                       
CONECT   26   22   25                                                 
CONECT   27   25   28   32   73                                       
CONECT   28   27   29   74                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   75   76   77                                       
CONECT   32   27   33   34   78                                       
CONECT   33   32   40                                                 
CONECT   34   32   35   36   79                                       
CONECT   35   34   80                                                 
CONECT   36   34   37   38   81                                       
CONECT   37   25   36                                                 
CONECT   38   36   39   82   83                                       
CONECT   39   38   84                                                 
CONECT   40   33   41   42   85                                       
CONECT   41   40   86   87   88                                       
CONECT   42   40   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   89                                            
CONECT   45   44   46   47   90                                       
CONECT   46   45   91   92   93                                       
CONECT   47   45   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50   94                                            
CONECT   50   49   51   56   95                                       
CONECT   51   50   52   96   97                                       
CONECT   52   51   53   98   99                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53  100                                                 
CONECT   56   50   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56  101                                                 
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    5                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   20                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   49                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   52                                                      
CONECT  100   55                                                      
CONECT  101   58                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
