COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       5.015   1.520   1.105  1.00  0.00           C  
HETATM    2  O   UNK A   0       4.398   0.965   1.988  1.00  0.00           O  
HETATM    3  C   UNK A   0       6.172   2.424   1.447  1.00  0.00           C  
ATOM      4  N   TRP A   1       4.671   1.325  -0.184  1.00  0.00           N  
ATOM      5  CA  TRP A   1       3.551   0.442  -0.517  1.00  0.00           C  
ATOM      6  C   TRP A   1       2.290   0.967   0.121  1.00  0.00           C  
ATOM      7  O   TRP A   1       2.359   1.735   1.057  1.00  0.00           O  
ATOM      8  CB  TRP A   1       3.839  -0.967   0.006  1.00  0.00           C  
ATOM      9  CG  TRP A   1       5.028  -1.539  -0.722  1.00  0.00           C  
ATOM     10  CD1 TRP A   1       4.996  -2.332  -1.804  1.00  0.00           C  
ATOM     11  CD2 TRP A   1       6.439  -1.330  -0.386  1.00  0.00           C  
ATOM     12  NE1 TRP A   1       6.271  -2.653  -2.185  1.00  0.00           N  
ATOM     13  CE2 TRP A   1       7.177  -2.056  -1.338  1.00  0.00           C  
ATOM     14  CE3 TRP A   1       7.103  -0.612   0.611  1.00  0.00           C  
ATOM     15  CZ2 TRP A   1       8.567  -2.048  -1.274  1.00  0.00           C  
ATOM     16  CZ3 TRP A   1       8.469  -0.618   0.655  1.00  0.00           C  
ATOM     17  CH2 TRP A   1       9.202  -1.332  -0.283  1.00  0.00           C  
ATOM     18  N   GLU A   2       1.087   0.582  -0.349  1.00  0.00           N  
ATOM     19  CA  GLU A   2      -0.138   1.092   0.271  1.00  0.00           C  
ATOM     20  C   GLU A   2      -1.265   0.120   0.032  1.00  0.00           C  
ATOM     21  O   GLU A   2      -1.064  -0.898  -0.595  1.00  0.00           O  
ATOM     22  CB  GLU A   2      -0.495   2.447  -0.343  1.00  0.00           C  
ATOM     23  CG  GLU A   2       0.591   3.467   0.007  1.00  0.00           C  
ATOM     24  CD  GLU A   2       0.239   4.802  -0.598  1.00  0.00           C  
ATOM     25  OE1 GLU A   2      -0.775   4.925  -1.242  1.00  0.00           O  
ATOM     26  OE2 GLU A   2       1.053   5.855  -0.420  1.00  0.00           O  
ATOM     27  N   HIS A   3      -2.495   0.383   0.515  1.00  0.00           N  
ATOM     28  CA  HIS A   3      -3.590  -0.562   0.282  1.00  0.00           C  
ATOM     29  C   HIS A   3      -4.907   0.169   0.343  1.00  0.00           C  
ATOM     30  O   HIS A   3      -4.928   1.362   0.560  1.00  0.00           O  
ATOM     31  CB  HIS A   3      -3.561  -1.651   1.356  1.00  0.00           C  
ATOM     32  CG  HIS A   3      -2.299  -2.462   1.215  1.00  0.00           C  
ATOM     33  ND1 HIS A   3      -1.155  -2.263   1.888  1.00  0.00           N1+
ATOM     34  CD2 HIS A   3      -2.122  -3.517   0.397  1.00  0.00           C  
ATOM     35  CE1 HIS A   3      -0.275  -3.151   1.514  1.00  0.00           C  
ATOM     36  NE2 HIS A   3      -0.838  -3.953   0.584  1.00  0.00           N  
ATOM     37  C   ASP A   4      -7.802   0.305   1.672  1.00  0.00           C  
ATOM     38  N   ASP A   4      -6.060  -0.503   0.157  1.00  0.00           N  
ATOM     39  O   ASP A   4      -8.073  -1.005   2.174  1.00  0.00           O  
ATOM     40  CA  ASP A   4      -7.340   0.208   0.217  1.00  0.00           C  
ATOM     41  CB  ASP A   4      -8.385  -0.554  -0.600  1.00  0.00           C  
ATOM     42  CG  ASP A   4      -7.991  -0.543  -2.055  1.00  0.00           C  
ATOM     43  OD2 ASP A   4      -8.765  -1.155  -2.965  1.00  0.00           O  
ATOM     44  OD1 ASP A   4      -6.977   0.016  -2.402  1.00  0.00           O  
HETATM   45  H   UNK A   0       7.092   1.842   1.475  1.00  0.00           H  
HETATM   46  H   UNK A   0       6.258   3.205   0.692  1.00  0.00           H  
HETATM   47  H   UNK A   0       6.000   2.880   2.422  1.00  0.00           H  
ATOM     48  H   TRP A   1       5.165   1.770  -0.891  1.00  0.00           H  
ATOM     49  HA  TRP A   1       3.424   0.409  -1.599  1.00  0.00           H  
ATOM     50  HB1 TRP A   1       4.054  -0.921   1.073  1.00  0.00           H  
ATOM     51  HB2 TRP A   1       2.970  -1.602  -0.163  1.00  0.00           H  
ATOM     52  HD1 TRP A   1       4.098  -2.668  -2.300  1.00  0.00           H  
ATOM     53  HE1 TRP A   1       6.501  -3.215  -2.941  1.00  0.00           H  
ATOM     54  HE3 TRP A   1       6.539  -0.053   1.343  1.00  0.00           H  
ATOM     55  HZ2 TRP A   1       9.146  -2.601  -1.998  1.00  0.00           H  
ATOM     56  HZ3 TRP A   1       8.982  -0.062   1.426  1.00  0.00           H  
ATOM     57  HH2 TRP A   1      10.281  -1.327  -0.235  1.00  0.00           H  
ATOM     58  H   GLU A   2       1.032  -0.032  -1.098  1.00  0.00           H  
ATOM     59  HA  GLU A   2       0.019   1.209   1.344  1.00  0.00           H  
ATOM     60  HB1 GLU A   2      -0.565   2.349  -1.426  1.00  0.00           H  
ATOM     61  HB2 GLU A   2      -1.452   2.785   0.054  1.00  0.00           H  
ATOM     62  HG1 GLU A   2       0.660   3.566   1.090  1.00  0.00           H  
ATOM     63  HG2 GLU A   2       1.548   3.129  -0.389  1.00  0.00           H  
ATOM     64  HE2 GLU A   2       0.786   6.690  -0.827  1.00  0.00           H  
ATOM     65  H   HIS A   3      -2.656   1.197   1.016  1.00  0.00           H  
ATOM     66  HA  HIS A   3      -3.474  -1.018  -0.701  1.00  0.00           H  
ATOM     67  HB1 HIS A   3      -3.589  -1.189   2.343  1.00  0.00           H  
ATOM     68  HB2 HIS A   3      -4.427  -2.303   1.236  1.00  0.00           H  
ATOM     69  HD1 HIS A   3      -1.006  -1.568   2.548  1.00  0.00           H  
ATOM     70  HD2 HIS A   3      -2.853  -3.938  -0.277  1.00  0.00           H  
ATOM     71  HE1 HIS A   3       0.735  -3.232   1.887  1.00  0.00           H  
ATOM     72  HE2 HIS A   3      -0.413  -4.700   0.135  1.00  0.00           H  
ATOM     73  H1  ASP A   4      -8.707   0.910   1.727  1.00  0.00           H  
ATOM     74  H2  ASP A   4      -7.018   0.768   2.272  1.00  0.00           H  
ATOM     75  H   ASP A   4      -6.043  -1.457  -0.016  1.00  0.00           H  
ATOM     76  H   ASP A   4      -8.372  -1.020   3.094  1.00  0.00           H  
ATOM     77  HA  ASP A   4      -7.218   1.211  -0.193  1.00  0.00           H  
ATOM     78  HB1 ASP A   4      -8.443  -1.583  -0.247  1.00  0.00           H  
ATOM     79  HB2 ASP A   4      -9.357  -0.075  -0.484  1.00  0.00           H  
ATOM     80  HD2 ASP A   4      -8.471  -1.122  -3.885  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   45   46   47                                       
CONECT    4    5   48    1                                            
CONECT    5    4    6    8   49                                       
CONECT    6    5    7    7   18                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   50   51                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   12   52                                       
CONECT   11    9   13   13   14                                       
CONECT   12   10   13   53                                            
CONECT   13   11   11   12   15                                       
CONECT   14   11   16   16   54                                       
CONECT   15   13   17   17   55                                       
CONECT   16   14   14   17   56                                       
CONECT   17   15   15   16   57                                       
CONECT   18   19   58    6                                            
CONECT   19   18   20   22   59                                       
CONECT   20   19   21   21   27                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   64                                                 
CONECT   27   28   65   20                                            
CONECT   28   27   29   31   66                                       
CONECT   29   28   30   30   38                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   67   68                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32   35   35   69                                       
CONECT   34   32   32   36   70                                       
CONECT   35   33   33   36   71                                       
CONECT   36   34   35   72                                            
CONECT   37   39   40   73   74                                       
CONECT   38   40   75   29                                            
CONECT   39   37   76                                                 
CONECT   40   37   38   41   77                                       
CONECT   41   40   42   78   79                                       
CONECT   42   41   44   44   43                                       
CONECT   43   42   80                                                 
CONECT   44   42   42                                                 
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
