COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       3.495  -1.129   0.156  1.00  0.00           C  
HETATM    2  C   UNK A   0       1.867  -2.967   0.598  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.521  -2.196  -0.233  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.956  -3.963   0.191  1.00  0.00           C  
HETATM    5  C   UNK A   0       2.087  -1.648  -0.151  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.343   1.113   0.165  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.657   2.294  -0.757  1.00  0.00           C  
HETATM    8  C   UNK A   0       5.251   3.436   0.073  1.00  0.00           C  
HETATM    9  C   UNK A   0       4.265   3.812   1.183  1.00  0.00           C  
HETATM   10  C   UNK A   0       3.966   2.573   2.030  1.00  0.00           C  
HETATM   11  C   UNK A   0       0.014  -0.539  -0.617  1.00  0.00           C  
HETATM   12  C   UNK A   0       5.926  -1.709   0.126  1.00  0.00           C  
HETATM   13  C   UNK A   0       2.936   2.925   3.105  1.00  0.00           C  
HETATM   14  C   UNK A   0      -0.100  -4.304   1.128  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.201  -0.095   0.156  1.00  0.00           C  
HETATM   16  C   UNK A   0       5.194   1.282  -2.908  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.355   0.510  -1.677  1.00  0.00           C  
ATOM     18  CA  ALA A   1      -3.573   0.446   0.286  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.453  -4.864   0.774  1.00  0.00           C  
HETATM   20  C   UNK A   0       6.188   0.852  -3.956  1.00  0.00           C  
ATOM     21  C   ALA A   1      -4.815  -0.076  -0.388  1.00  0.00           C  
ATOM     22  CA  GLU A   2      -7.237  -0.310  -0.525  1.00  0.00           C  
ATOM     23  CB  ALA A   1      -3.620   1.975   0.329  1.00  0.00           C  
ATOM     24  C   GLU A   2      -7.512  -1.714  -0.053  1.00  0.00           C  
ATOM     25  CB  GLU A   2      -8.424   0.589  -0.173  1.00  0.00           C  
ATOM     26  CG  GLU A   2      -8.200   1.984  -0.761  1.00  0.00           C  
ATOM     27  CD  GLU A   2      -9.370   2.869  -0.414  1.00  0.00           C  
HETATM   28  N   UNK A   0       0.552  -3.511   0.253  1.00  0.00           N  
HETATM   29  N   UNK A   0       5.623   1.876  -1.776  1.00  0.00           N  
ATOM     30  N   ALA A   1      -2.392   0.015  -0.465  1.00  0.00           N  
ATOM     31  N   GLU A   2      -6.029   0.198   0.130  1.00  0.00           N  
HETATM   32  O   UNK A   0       3.737   0.064  -0.593  1.00  0.00           O  
HETATM   33  O   UNK A   0       4.240  -3.405   0.475  1.00  0.00           O  
HETATM   34  O   UNK A   0       3.446   1.538   1.193  1.00  0.00           O  
HETATM   35  O   UNK A   0       1.119  -0.688   0.277  1.00  0.00           O  
HETATM   36  O   UNK A   0       2.853  -4.237  -1.207  1.00  0.00           O  
HETATM   37  O   UNK A   0       5.479   4.569  -0.768  1.00  0.00           O  
HETATM   38  O   UNK A   0       4.839   4.828   2.008  1.00  0.00           O  
HETATM   39  O   UNK A   0       6.892  -2.649  -0.349  1.00  0.00           O  
HETATM   40  O   UNK A   0       2.743   1.803   3.968  1.00  0.00           O  
HETATM   41  O   UNK A   0       0.403  -4.565   2.200  1.00  0.00           O  
HETATM   42  O   UNK A   0      -1.107   0.164   1.337  1.00  0.00           O  
HETATM   43  O   UNK A   0       4.009   1.093  -3.082  1.00  0.00           O  
ATOM     44  O   ALA A   1      -4.723  -0.743  -1.397  1.00  0.00           O  
ATOM     45  O   GLU A   2      -6.775  -2.237   0.748  1.00  0.00           O  
ATOM     46  OXT GLU A   2      -8.576  -2.384  -0.523  1.00  0.00           O  
ATOM     47  OE2 GLU A   2      -9.391   4.145  -0.828  1.00  0.00           O  
ATOM     48  OE1 GLU A   2     -10.288   2.429   0.236  1.00  0.00           O  
HETATM   49  H   UNK A   0       3.579  -0.913   1.221  1.00  0.00           H  
HETATM   50  H   UNK A   0       1.918  -2.789   1.672  1.00  0.00           H  
HETATM   51  H   UNK A   0       4.463  -2.382  -1.306  1.00  0.00           H  
HETATM   52  H   UNK A   0       2.829  -4.889   0.753  1.00  0.00           H  
HETATM   53  H   UNK A   0       1.986  -1.815  -1.223  1.00  0.00           H  
HETATM   54  H   UNK A   0       5.266   0.749   0.616  1.00  0.00           H  
HETATM   55  H   UNK A   0       3.740   2.633  -1.240  1.00  0.00           H  
HETATM   56  H   UNK A   0       6.193   3.114   0.516  1.00  0.00           H  
HETATM   57  H   UNK A   0       3.340   4.182   0.739  1.00  0.00           H  
HETATM   58  H   UNK A   0       4.884   2.228   2.506  1.00  0.00           H  
HETATM   59  H   UNK A   0      -0.192  -1.492  -1.102  1.00  0.00           H  
HETATM   60  H   UNK A   0       6.104  -0.739  -0.339  1.00  0.00           H  
HETATM   61  H   UNK A   0       6.012  -1.614   1.208  1.00  0.00           H  
HETATM   62  H   UNK A   0       3.294   3.774   3.688  1.00  0.00           H  
HETATM   63  H   UNK A   0       1.989   3.185   2.630  1.00  0.00           H  
HETATM   64  H   UNK A   0       1.234   0.189  -2.236  1.00  0.00           H  
HETATM   65  H   UNK A   0      -0.487   0.625  -2.359  1.00  0.00           H  
HETATM   66  H   UNK A   0       0.562   1.464  -1.192  1.00  0.00           H  
ATOM     67  HA  ALA A   1      -3.520   0.056   1.302  1.00  0.00           H  
HETATM   68  H   UNK A   0      -1.820  -5.476   1.598  1.00  0.00           H  
HETATM   69  H   UNK A   0      -2.149  -4.045   0.591  1.00  0.00           H  
HETATM   70  H   UNK A   0      -1.369  -5.477  -0.124  1.00  0.00           H  
HETATM   71  H   UNK A   0       6.507  -0.171  -3.756  1.00  0.00           H  
HETATM   72  H   UNK A   0       5.722   0.901  -4.940  1.00  0.00           H  
HETATM   73  H   UNK A   0       7.053   1.514  -3.930  1.00  0.00           H  
ATOM     74  HA  GLU A   2      -7.091  -0.312  -1.606  1.00  0.00           H  
ATOM     75  HB1 ALA A   1      -2.721   2.353   0.817  1.00  0.00           H  
ATOM     76  HB2 ALA A   1      -3.673   2.365  -0.688  1.00  0.00           H  
ATOM     77  HB3 ALA A   1      -4.499   2.296   0.888  1.00  0.00           H  
ATOM     78  HB1 GLU A   2      -9.338   0.162  -0.587  1.00  0.00           H  
ATOM     79  HB2 GLU A   2      -8.516   0.662   0.910  1.00  0.00           H  
ATOM     80  HG1 GLU A   2      -7.287   2.410  -0.347  1.00  0.00           H  
ATOM     81  HG2 GLU A   2      -8.109   1.911  -1.845  1.00  0.00           H  
HETATM   82  H   UNK A   0       0.149  -3.302  -0.604  1.00  0.00           H  
HETATM   83  H   UNK A   0       6.571   2.027  -1.637  1.00  0.00           H  
ATOM     84  H   ALA A   1      -2.467  -0.192  -1.410  1.00  0.00           H  
ATOM     85  H   GLU A   2      -6.103   0.731   0.937  1.00  0.00           H  
HETATM   86  H   UNK A   0       3.514  -4.862  -1.535  1.00  0.00           H  
HETATM   87  H   UNK A   0       5.855   5.332  -0.307  1.00  0.00           H  
HETATM   88  H   UNK A   0       4.268   5.115   2.734  1.00  0.00           H  
HETATM   89  H   UNK A   0       7.807  -2.403  -0.155  1.00  0.00           H  
HETATM   90  H   UNK A   0       2.102   1.955   4.675  1.00  0.00           H  
ATOM     91  HXT GLU A   2      -8.712  -3.282  -0.191  1.00  0.00           H  
ATOM     92  HE2 GLU A   2     -10.163   4.674  -0.581  1.00  0.00           H  
CONECT    1   32    3    5   49                                       
CONECT    2    5    4   28   50                                       
CONECT    3   12    1   33   51                                       
CONECT    4   36   33    2   52                                       
CONECT    5    1   35    2   53                                       
CONECT    6    7   32   34   54                                       
CONECT    7   29    8    6   55                                       
CONECT    8   37    7    9   56                                       
CONECT    9    8   38   10   57                                       
CONECT   10    9   34   13   58                                       
CONECT   11   17   35   15   59                                       
CONECT   12   39    3   60   61                                       
CONECT   13   40   10   62   63                                       
CONECT   14   28   19   41   41                                       
CONECT   15   11   42   42   30                                       
CONECT   16   43   43   20   29                                       
CONECT   17   11   64   65   66                                       
CONECT   18   30   21   23   67                                       
CONECT   19   14   68   69   70                                       
CONECT   20   16   71   72   73                                       
CONECT   21   31   44   44   18                                       
CONECT   22   24   25   31   74                                       
CONECT   23   18   75   76   77                                       
CONECT   24   45   45   46   22                                       
CONECT   25   22   26   78   79                                       
CONECT   26   25   27   80   81                                       
CONECT   27   26   48   48   47                                       
CONECT   28    2   14   82                                            
CONECT   29   16    7   83                                            
CONECT   30   15   18   84                                            
CONECT   31   22   21   85                                            
CONECT   32    6    1                                                 
CONECT   33    3    4                                                 
CONECT   34    6   10                                                 
CONECT   35    5   11                                                 
CONECT   36    4   86                                                 
CONECT   37    8   87                                                 
CONECT   38    9   88                                                 
CONECT   39   12   89                                                 
CONECT   40   13   90                                                 
CONECT   41   14   14                                                 
CONECT   42   15   15                                                 
CONECT   43   16   16                                                 
CONECT   44   21   21                                                 
CONECT   45   24   24                                                 
CONECT   46   24   91                                                 
CONECT   47   27   92                                                 
CONECT   48   27   27                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
