COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       3.125   7.097  -3.713  1.00  0.00           N  
HETATM    2  C   UNK A   0       4.363   6.652  -3.828  1.00  0.00           C  
HETATM    3  N   UNK A   0       4.843   5.694  -3.063  1.00  0.00           N  
HETATM    4  C   UNK A   0       4.085   5.129  -2.128  1.00  0.00           C  
HETATM    5  C   UNK A   0       2.760   5.568  -1.966  1.00  0.00           C  
HETATM    6  C   UNK A   0       2.293   6.592  -2.807  1.00  0.00           C  
HETATM    7  N   UNK A   0       0.998   7.066  -2.694  1.00  0.00           N  
HETATM    8  N   UNK A   0       2.218   4.838  -0.962  1.00  0.00           N  
HETATM    9  C   UNK A   0       3.104   4.000  -0.508  1.00  0.00           C  
HETATM   10  N   UNK A   0       4.273   4.140  -1.196  1.00  0.00           N  
HETATM   11  C   UNK A   0       5.504   3.376  -0.979  1.00  0.00           C  
HETATM   12  C   UNK A   0       6.422   4.108   0.025  1.00  0.00           C  
HETATM   13  O   UNK A   0       7.429   4.848  -0.666  1.00  0.00           O  
HETATM   14  C   UNK A   0       7.056   2.968   0.854  1.00  0.00           C  
HETATM   15  O   UNK A   0       8.476   2.967   0.700  1.00  0.00           O  
HETATM   16  P   UNK A   0       9.492   3.122   1.939  1.00  0.00           P  
HETATM   17  O   UNK A   0       9.317   4.581   2.598  1.00  0.00           O  
HETATM   18  O   UNK A   0       9.197   2.085   2.952  1.00  0.00           O  
HETATM   19  O   UNK A   0      11.005   2.948   1.418  1.00  0.00           O  
HETATM   20  C   UNK A   0       6.446   1.682   0.252  1.00  0.00           C  
HETATM   21  O   UNK A   0       5.205   2.110  -0.351  1.00  0.00           O  
HETATM   22  C   UNK A   0       6.176   0.655   1.353  1.00  0.00           C  
HETATM   23  O   UNK A   0       5.723  -0.566   0.765  1.00  0.00           O  
HETATM   24  P   UNK A   0       5.343  -1.869   1.632  1.00  0.00           P  
HETATM   25  O   UNK A   0       6.662  -2.426   2.368  1.00  0.00           O  
HETATM   26  O   UNK A   0       4.327  -1.509   2.645  1.00  0.00           O  
HETATM   27  O   UNK A   0       4.751  -3.007   0.658  1.00  0.00           O  
HETATM   28  P   UNK A   0       3.844  -4.316   0.891  1.00  0.00           P  
HETATM   29  O   UNK A   0       2.720  -3.983   1.794  1.00  0.00           O  
HETATM   30  O   UNK A   0       4.739  -5.478   1.555  1.00  0.00           O  
HETATM   31  O   UNK A   0       3.265  -4.826  -0.522  1.00  0.00           O  
HETATM   32  C   UNK A   0       1.997  -6.130  -2.113  1.00  0.00           C  
HETATM   33  C   UNK A   0       2.339  -5.909  -0.639  1.00  0.00           C  
HETATM   34  C   UNK A   0       1.370  -4.859  -2.688  1.00  0.00           C  
HETATM   35  C   UNK A   0       3.273  -6.465  -2.888  1.00  0.00           C  
HETATM   36  C   UNK A   0       1.006  -7.289  -2.238  1.00  0.00           C  
HETATM   37  O   UNK A   0       1.637  -8.502  -1.822  1.00  0.00           O  
HETATM   38  C   UNK A   0      -0.193  -7.022  -1.365  1.00  0.00           C  
HETATM   39  O   UNK A   0      -0.391  -7.703  -0.382  1.00  0.00           O  
HETATM   40  N   UNK A   0      -1.044  -6.024  -1.677  1.00  0.00           N  
HETATM   41  C   UNK A   0      -2.154  -5.701  -0.777  1.00  0.00           C  
HETATM   42  C   UNK A   0      -2.961  -4.539  -1.361  1.00  0.00           C  
HETATM   43  C   UNK A   0      -4.103  -4.207  -0.435  1.00  0.00           C  
HETATM   44  O   UNK A   0      -4.256  -4.836   0.590  1.00  0.00           O  
HETATM   45  N   UNK A   0      -4.954  -3.209  -0.747  1.00  0.00           N  
HETATM   46  C   UNK A   0      -6.064  -2.886   0.153  1.00  0.00           C  
HETATM   47  C   UNK A   0      -6.872  -1.724  -0.430  1.00  0.00           C  
HETATM   48  S   UNK A   0      -8.246  -1.324   0.684  1.00  0.00           S  
ATOM     49  CA  GLU A   1     -12.175   1.964   1.003  1.00  0.00           C  
ATOM     50  C   GLU A   1     -13.370   1.109   0.672  1.00  0.00           C  
ATOM     51  OXT GLU A   1     -14.546   1.333   1.280  1.00  0.00           O  
ATOM     52  O   GLU A   1     -13.271   0.222  -0.143  1.00  0.00           O  
ATOM     53  CB  GLU A   1     -12.487   3.426   0.678  1.00  0.00           C  
ATOM     54  CG  GLU A   1     -11.323   4.310   1.129  1.00  0.00           C  
ATOM     55  CD  GLU A   1     -11.630   5.749   0.808  1.00  0.00           C  
ATOM     56  OE2 GLU A   1     -10.745   6.710   1.117  1.00  0.00           O  
ATOM     57  OE1 GLU A   1     -12.674   6.039   0.273  1.00  0.00           O  
HETATM   58  C   UNK A   0     -10.255   0.506   0.650  1.00  0.00           C  
HETATM   59  C   UNK A   0      -9.071   0.051  -0.164  1.00  0.00           C  
HETATM   60  O   UNK A   0     -10.517  -0.044   1.699  1.00  0.00           O  
ATOM     61  N   GLU A   1     -11.024   1.523   0.212  1.00  0.00           N  
HETATM   62  H   UNK A   0       5.005   7.089  -4.577  1.00  0.00           H  
HETATM   63  H   UNK A   0       0.687   7.773  -3.280  1.00  0.00           H  
HETATM   64  H   UNK A   0       0.400   6.689  -2.029  1.00  0.00           H  
HETATM   65  H   UNK A   0       2.938   3.296   0.294  1.00  0.00           H  
HETATM   66  H   UNK A   0       6.023   3.217  -1.924  1.00  0.00           H  
HETATM   67  H   UNK A   0       5.837   4.766   0.667  1.00  0.00           H  
HETATM   68  H   UNK A   0       7.081   5.538  -1.247  1.00  0.00           H  
HETATM   69  H   UNK A   0       6.784   3.063   1.905  1.00  0.00           H  
HETATM   70  H   UNK A   0       9.495   5.311   1.990  1.00  0.00           H  
HETATM   71  H   UNK A   0      11.673   3.029   2.113  1.00  0.00           H  
HETATM   72  H   UNK A   0       7.111   1.264  -0.503  1.00  0.00           H  
HETATM   73  H   UNK A   0       7.094   0.470   1.911  1.00  0.00           H  
HETATM   74  H   UNK A   0       5.412   1.038   2.029  1.00  0.00           H  
HETATM   75  H   UNK A   0       7.372  -2.682   1.763  1.00  0.00           H  
HETATM   76  H   UNK A   0       5.496  -5.747   1.017  1.00  0.00           H  
HETATM   77  H   UNK A   0       2.786  -6.815  -0.229  1.00  0.00           H  
HETATM   78  H   UNK A   0       1.430  -5.670  -0.086  1.00  0.00           H  
HETATM   79  H   UNK A   0       0.526  -4.557  -2.067  1.00  0.00           H  
HETATM   80  H   UNK A   0       2.114  -4.062  -2.703  1.00  0.00           H  
HETATM   81  H   UNK A   0       1.024  -5.051  -3.703  1.00  0.00           H  
HETATM   82  H   UNK A   0       3.043  -6.543  -3.951  1.00  0.00           H  
HETATM   83  H   UNK A   0       4.010  -5.677  -2.733  1.00  0.00           H  
HETATM   84  H   UNK A   0       3.676  -7.414  -2.533  1.00  0.00           H  
HETATM   85  H   UNK A   0       0.686  -7.383  -3.276  1.00  0.00           H  
HETATM   86  H   UNK A   0       1.948  -8.490  -0.907  1.00  0.00           H  
HETATM   87  H   UNK A   0      -0.922  -5.521  -2.497  1.00  0.00           H  
HETATM   88  H   UNK A   0      -2.799  -6.573  -0.667  1.00  0.00           H  
HETATM   89  H   UNK A   0      -1.760  -5.415   0.198  1.00  0.00           H  
HETATM   90  H   UNK A   0      -2.316  -3.667  -1.470  1.00  0.00           H  
HETATM   91  H   UNK A   0      -3.356  -4.825  -2.336  1.00  0.00           H  
HETATM   92  H   UNK A   0      -4.832  -2.706  -1.567  1.00  0.00           H  
HETATM   93  H   UNK A   0      -6.709  -3.757   0.263  1.00  0.00           H  
HETATM   94  H   UNK A   0      -5.670  -2.600   1.128  1.00  0.00           H  
HETATM   95  H   UNK A   0      -6.227  -0.852  -0.540  1.00  0.00           H  
HETATM   96  H   UNK A   0      -7.266  -2.010  -1.406  1.00  0.00           H  
ATOM     97  HA  GLU A   1     -11.944   1.870   2.065  1.00  0.00           H  
ATOM     98  HXT GLU A   1     -15.284   0.758   1.035  1.00  0.00           H  
ATOM     99  HB1 GLU A   1     -12.631   3.536  -0.397  1.00  0.00           H  
ATOM    100  HB2 GLU A   1     -13.396   3.728   1.198  1.00  0.00           H  
ATOM    101  HG1 GLU A   1     -11.179   4.200   2.204  1.00  0.00           H  
ATOM    102  HG2 GLU A   1     -10.414   4.007   0.609  1.00  0.00           H  
ATOM    103  HE2 GLU A   1     -10.987   7.619   0.891  1.00  0.00           H  
HETATM  104  H   UNK A   0      -8.372   0.879  -0.281  1.00  0.00           H  
HETATM  105  H   UNK A   0      -9.411  -0.278  -1.146  1.00  0.00           H  
ATOM    106  H   GLU A   1     -10.815   1.962  -0.627  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    3    3    1   62                                       
CONECT    3    2    2    4                                            
CONECT    4    3   10    5    5                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   63   64                                            
CONECT    8    5    9    9                                            
CONECT    9   10    8    8   65                                       
CONECT   10   11    4    9                                            
CONECT   11   12   21   10   66                                       
CONECT   12   13   14   11   67                                       
CONECT   13   12   68                                                 
CONECT   14   15   12   20   69                                       
CONECT   15   16   14                                                 
CONECT   16   18   18   17   19                                       
CONECT   16   15                                                      
CONECT   17   16   70                                                 
CONECT   18   16   16                                                 
CONECT   19   16   71                                                 
CONECT   20   14   21   22   72                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   73   74                                       
CONECT   23   22   24                                                 
CONECT   24   23   26   26   25                                       
CONECT   24   27                                                      
CONECT   25   24   75                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   29   29   27   31                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   76                                                 
CONECT   31   28   33                                                 
CONECT   32   35   33   36   34                                       
CONECT   33   31   32   77   78                                       
CONECT   34   32   79   80   81                                       
CONECT   35   32   82   83   84                                       
CONECT   36   37   32   38   85                                       
CONECT   37   36   86                                                 
CONECT   38   36   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   87                                            
CONECT   41   40   42   88   89                                       
CONECT   42   41   43   90   91                                       
CONECT   43   44   44   45   42                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   92                                            
CONECT   46   47   45   93   94                                       
CONECT   47   48   46   95   96                                       
CONECT   48   47   59                                                 
CONECT   49   61   53   50   97                                       
CONECT   50   49   52   52   51                                       
CONECT   51   50   98                                                 
CONECT   52   50   50                                                 
CONECT   53   54   49   99  100                                       
CONECT   54   55   53  101  102                                       
CONECT   55   57   57   54   56                                       
CONECT   56   55  103                                                 
CONECT   57   55   55                                                 
CONECT   58   59   61   60   60                                       
CONECT   59   48   58  104  105                                       
CONECT   60   58   58                                                 
CONECT   61   58   49  106                                            
CONECT   62    2                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   25                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   49                                                      
CONECT   98   51                                                      
CONECT   99   53                                                      
CONECT  100   53                                                      
CONECT  101   54                                                      
CONECT  102   54                                                      
CONECT  103   56                                                      
CONECT  104   59                                                      
CONECT  105   59                                                      
CONECT  106   61                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
