COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -0.890  -2.483  -3.912  1.00  0.00           C  
HETATM    2  C   UNK A   0      -0.022  -1.845  -2.858  1.00  0.00           C  
HETATM    3  C   UNK A   0       1.354  -1.951  -2.918  1.00  0.00           C  
HETATM    4  C   UNK A   0       1.524  -0.711  -0.982  1.00  0.00           C  
HETATM    5  C   UNK A   0       3.708  -0.315  -0.053  1.00  0.00           C  
HETATM    6  C   UNK A   0       5.717  -0.688  -1.308  1.00  0.00           C  
HETATM    7  C   UNK A   0       7.913  -0.867  -0.146  1.00  0.00           C  
HETATM    8  C   UNK A   0      10.071  -1.045   0.972  1.00  0.00           C  
HETATM    9  O   UNK A   0       8.482  -1.036  -1.208  1.00  0.00           O  
HETATM   10  C   UNK A   0       4.349  -0.507  -1.271  1.00  0.00           C  
HETATM   11  C   UNK A   0       6.452  -0.675  -0.116  1.00  0.00           C  
HETATM   12  C   UNK A   0      10.542  -1.601   2.318  1.00  0.00           C  
HETATM   13  C   UNK A   0      12.066  -1.741   2.302  1.00  0.00           C  
HETATM   14  C   UNK A   0      12.275   0.105   0.746  1.00  0.00           C  
HETATM   15  C   UNK A   0      10.758   0.299   0.716  1.00  0.00           C  
HETATM   16  C   UNK A   0       5.795  -0.485   1.104  1.00  0.00           C  
HETATM   17  C   UNK A   0       4.442  -0.303   1.131  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.589  -1.130  -1.801  1.00  0.00           C  
HETATM   19  C   UNK A   0      -2.517  -0.156  -0.729  1.00  0.00           C  
HETATM   20  C   UNK A   0      -1.858   1.009  -0.361  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.402   1.843   0.607  1.00  0.00           C  
HETATM   22  C   UNK A   0      -2.300   4.324  -1.370  1.00  0.00           C  
HETATM   23  C   UNK A   0      -0.923   3.869  -1.857  1.00  0.00           C  
HETATM   24  C   UNK A   0      -2.642   5.677  -1.998  1.00  0.00           C  
HETATM   25  C   UNK A   0      -3.352   3.292  -1.781  1.00  0.00           C  
HETATM   26  C   UNK A   0      -3.608   1.514   1.209  1.00  0.00           C  
HETATM   27  C   UNK A   0      -4.273   0.345   0.842  1.00  0.00           C  
HETATM   28  C   UNK A   0      -5.559  -0.009   1.481  1.00  0.00           C  
ATOM     29  CA  GLU A   1      -7.471  -1.495   1.753  1.00  0.00           C  
ATOM     30  CB  GLU A   1      -8.146  -2.561   0.887  1.00  0.00           C  
ATOM     31  CG  GLU A   1      -8.435  -1.983  -0.500  1.00  0.00           C  
ATOM     32  CD  GLU A   1      -9.100  -3.033  -1.353  1.00  0.00           C  
ATOM     33  C   GLU A   1      -7.329  -2.009   3.162  1.00  0.00           C  
HETATM   34  C   UNK A   0      -3.726  -0.488  -0.134  1.00  0.00           C  
HETATM   35  F   UNK A   0       6.345  -0.871  -2.490  1.00  0.00           F  
HETATM   36  N   UNK A   0       2.090  -1.379  -1.976  1.00  0.00           N  
HETATM   37  N   UNK A   0       2.329  -0.127  -0.016  1.00  0.00           N  
HETATM   38  N   UNK A   0       8.618  -0.854   1.002  1.00  0.00           N  
HETATM   39  N   UNK A   0      12.676  -0.428   2.054  1.00  0.00           N  
HETATM   40  N   UNK A   0       0.209  -0.582  -0.891  1.00  0.00           N  
HETATM   41  N   UNK A   0      -1.966  -0.993  -1.704  1.00  0.00           N  
HETATM   42  N   UNK A   0      -1.735   3.014   0.974  1.00  0.00           N  
ATOM     43  N   GLU A   1      -6.145  -1.191   1.208  1.00  0.00           N  
HETATM   44  O   UNK A   0      -1.278   5.401   0.846  1.00  0.00           O  
HETATM   45  O   UNK A   0      -3.607   4.570   0.943  1.00  0.00           O  
ATOM     46  OE1 GLU A   1      -9.320  -4.130  -0.898  1.00  0.00           O  
ATOM     47  OE2 GLU A   1      -9.448  -2.749  -2.618  1.00  0.00           O  
ATOM     48  O   GLU A   1      -6.233  -2.111   3.660  1.00  0.00           O  
ATOM     49  OXT GLU A   1      -8.420  -2.353   3.864  1.00  0.00           O  
HETATM   50  O   UNK A   0      -6.087   0.767   2.254  1.00  0.00           O  
HETATM   51  S   UNK A   0      -2.282   4.482   0.437  1.00  0.00           S  
HETATM   52  H   UNK A   0      -1.142  -3.499  -3.610  1.00  0.00           H  
HETATM   53  H   UNK A   0      -1.805  -1.901  -4.029  1.00  0.00           H  
HETATM   54  H   UNK A   0      -0.352  -2.508  -4.859  1.00  0.00           H  
HETATM   55  H   UNK A   0       1.825  -2.494  -3.724  1.00  0.00           H  
HETATM   56  H   UNK A   0      10.330  -1.745   0.178  1.00  0.00           H  
HETATM   57  H   UNK A   0       3.778  -0.517  -2.188  1.00  0.00           H  
HETATM   58  H   UNK A   0      10.247  -0.920   3.117  1.00  0.00           H  
HETATM   59  H   UNK A   0      10.088  -2.578   2.487  1.00  0.00           H  
HETATM   60  H   UNK A   0      12.405  -2.124   3.264  1.00  0.00           H  
HETATM   61  H   UNK A   0      12.358  -2.432   1.512  1.00  0.00           H  
HETATM   62  H   UNK A   0      12.567  -0.596  -0.037  1.00  0.00           H  
HETATM   63  H   UNK A   0      12.768   1.063   0.578  1.00  0.00           H  
HETATM   64  H   UNK A   0      10.459   0.680  -0.261  1.00  0.00           H  
HETATM   65  H   UNK A   0      10.467   1.010   1.489  1.00  0.00           H  
HETATM   66  H   UNK A   0       6.359  -0.475   2.024  1.00  0.00           H  
HETATM   67  H   UNK A   0       3.939  -0.148   2.074  1.00  0.00           H  
HETATM   68  H   UNK A   0      -0.919   1.267  -0.828  1.00  0.00           H  
HETATM   69  H   UNK A   0      -0.716   2.868  -1.479  1.00  0.00           H  
HETATM   70  H   UNK A   0      -0.909   3.856  -2.947  1.00  0.00           H  
HETATM   71  H   UNK A   0      -0.163   4.560  -1.492  1.00  0.00           H  
HETATM   72  H   UNK A   0      -1.892   6.412  -1.705  1.00  0.00           H  
HETATM   73  H   UNK A   0      -2.653   5.582  -3.083  1.00  0.00           H  
HETATM   74  H   UNK A   0      -3.623   6.001  -1.651  1.00  0.00           H  
HETATM   75  H   UNK A   0      -4.334   3.615  -1.435  1.00  0.00           H  
HETATM   76  H   UNK A   0      -3.364   3.196  -2.867  1.00  0.00           H  
HETATM   77  H   UNK A   0      -3.109   2.327  -1.334  1.00  0.00           H  
HETATM   78  H   UNK A   0      -4.031   2.163   1.962  1.00  0.00           H  
ATOM     79  HA  GLU A   1      -8.079  -0.590   1.755  1.00  0.00           H  
ATOM     80  HB1 GLU A   1      -7.486  -3.423   0.791  1.00  0.00           H  
ATOM     81  HB2 GLU A   1      -9.081  -2.869   1.354  1.00  0.00           H  
ATOM     82  HG1 GLU A   1      -9.095  -1.121  -0.405  1.00  0.00           H  
ATOM     83  HG2 GLU A   1      -7.500  -1.675  -0.967  1.00  0.00           H  
HETATM   84  H   UNK A   0      -4.240  -1.392  -0.424  1.00  0.00           H  
HETATM   85  H   UNK A   0       1.931   0.412   0.685  1.00  0.00           H  
HETATM   86  H   UNK A   0       8.164  -0.719   1.849  1.00  0.00           H  
HETATM   87  H   UNK A   0      13.681  -0.476   2.133  1.00  0.00           H  
HETATM   88  H   UNK A   0      -2.546  -1.477  -2.312  1.00  0.00           H  
HETATM   89  H   UNK A   0      -0.952   2.968   1.545  1.00  0.00           H  
ATOM     90  H   GLU A   1      -5.689  -1.841   0.650  1.00  0.00           H  
ATOM     91  HE2 GLU A   1      -9.871  -3.454  -3.125  1.00  0.00           H  
ATOM     92  HXT GLU A   1      -8.278  -2.677   4.764  1.00  0.00           H  
CONECT    1    2   52   53   54                                       
CONECT    2    3    3   18    1                                       
CONECT    3   36    2    2   55                                       
CONECT    4   37   36   36   40                                       
CONECT    5   10   10   17   37                                       
CONECT    6   35   11   11   10                                       
CONECT    7   38    9    9   11                                       
CONECT    8   15   12   38   56                                       
CONECT    9    7    7                                                 
CONECT   10    6    5    5   57                                       
CONECT   11    7    6    6   16                                       
CONECT   12   13    8   58   59                                       
CONECT   13   39   12   60   61                                       
CONECT   14   39   15   62   63                                       
CONECT   15   14    8   64   65                                       
CONECT   16   11   17   17   66                                       
CONECT   17   16   16    5   67                                       
CONECT   18   40   40    2   41                                       
CONECT   19   20   41   34   34                                       
CONECT   20   21   21   19   68                                       
CONECT   21   42   20   20   26                                       
CONECT   22   23   24   51   25                                       
CONECT   23   22   69   70   71                                       
CONECT   24   22   72   73   74                                       
CONECT   25   22   75   76   77                                       
CONECT   26   21   27   27   78                                       
CONECT   27   26   26   34   28                                       
CONECT   28   27   43   50   50                                       
CONECT   29   43   30   33   79                                       
CONECT   30   31   29   80   81                                       
CONECT   31   32   30   82   83                                       
CONECT   32   46   46   47   31                                       
CONECT   33   29   48   48   49                                       
CONECT   34   19   19   27   84                                       
CONECT   35    6                                                      
CONECT   36    4    4    3                                            
CONECT   37    5    4   85                                            
CONECT   38    8    7   86                                            
CONECT   39   14   13   87                                            
CONECT   40    4   18   18                                            
CONECT   41   18   19   88                                            
CONECT   42   51   21   89                                            
CONECT   43   28   29   90                                            
CONECT   44   51   51                                                 
CONECT   45   51   51                                                 
CONECT   46   32   32                                                 
CONECT   47   32   91                                                 
CONECT   48   33   33                                                 
CONECT   49   33   92                                                 
CONECT   50   28   28                                                 
CONECT   51   44   44   22   45                                       
CONECT   51   45   42                                                 
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   20                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   34                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   47                                                      
CONECT   92   49                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
