COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       5.128   2.321   0.128  1.00  0.00           C  
HETATM    2  O   UNK A   0       4.510   2.389   1.169  1.00  0.00           O  
HETATM    3  C   UNK A   0       6.231   3.305  -0.160  1.00  0.00           C  
ATOM      4  N   TYR A   1       4.830   1.360  -0.770  1.00  0.00           N  
ATOM      5  CA  TYR A   1       3.761   0.399  -0.488  1.00  0.00           C  
ATOM      6  C   TYR A   1       2.460   1.136  -0.298  1.00  0.00           C  
ATOM      7  O   TYR A   1       2.467   2.319  -0.028  1.00  0.00           O  
ATOM      8  CB  TYR A   1       4.097  -0.378   0.787  1.00  0.00           C  
ATOM      9  CG  TYR A   1       5.332  -1.211   0.556  1.00  0.00           C  
ATOM     10  CD1 TYR A   1       6.581  -0.683   0.824  1.00  0.00           C  
ATOM     11  CD2 TYR A   1       5.213  -2.504   0.082  1.00  0.00           C  
ATOM     12  CE1 TYR A   1       7.714  -1.444   0.614  1.00  0.00           C  
ATOM     13  CE2 TYR A   1       6.343  -3.270  -0.131  1.00  0.00           C  
ATOM     14  CZ  TYR A   1       7.598  -2.740   0.132  1.00  0.00           C  
ATOM     15  OH  TYR A   1       8.711  -3.491  -0.076  1.00  0.00           O  
ATOM     16  N   VAL A   2       1.290   0.481  -0.429  1.00  0.00           N  
ATOM     17  CA  VAL A   2       0.025   1.198  -0.244  1.00  0.00           C  
ATOM     18  C   VAL A   2      -1.049   0.223   0.167  1.00  0.00           C  
ATOM     19  O   VAL A   2      -0.784  -0.953   0.293  1.00  0.00           O  
ATOM     20  CB  VAL A   2      -0.375   1.873  -1.558  1.00  0.00           C  
ATOM     21  CG1 VAL A   2       0.716   2.862  -1.975  1.00  0.00           C  
ATOM     22  CG2 VAL A   2      -0.544   0.811  -2.646  1.00  0.00           C  
ATOM     23  N   ALA A   3      -2.304   0.660   0.394  1.00  0.00           N  
ATOM     24  CA  ALA A   3      -3.348  -0.287   0.793  1.00  0.00           C  
ATOM     25  C   ALA A   3      -4.697   0.257   0.401  1.00  0.00           C  
ATOM     26  O   ALA A   3      -4.778   1.331  -0.158  1.00  0.00           O  
ATOM     27  CB  ALA A   3      -3.300  -0.489   2.309  1.00  0.00           C  
ATOM     28  N   ASP A   4      -5.813  -0.448   0.670  1.00  0.00           N  
ATOM     29  CA  ASP A   4      -7.124   0.081   0.289  1.00  0.00           C  
ATOM     30  C   ASP A   4      -7.625   1.008   1.366  1.00  0.00           C  
ATOM     31  O   ASP A   4      -6.955   1.207   2.351  1.00  0.00           O  
ATOM     32  CB  ASP A   4      -8.110  -1.076   0.113  1.00  0.00           C  
ATOM     33  CG  ASP A   4      -7.675  -1.936  -1.045  1.00  0.00           C  
ATOM     34  OD1 ASP A   4      -6.678  -1.653  -1.667  1.00  0.00           O  
ATOM     35  OD2 ASP A   4      -8.394  -3.017  -1.386  1.00  0.00           O  
HETATM   36  H   UNK A   0       7.176   2.912   0.214  1.00  0.00           H  
HETATM   37  H   UNK A   0       6.305   3.465  -1.236  1.00  0.00           H  
HETATM   38  H   UNK A   0       6.011   4.252   0.333  1.00  0.00           H  
ATOM     39  H   TYR A   1       5.324   1.306  -1.603  1.00  0.00           H  
ATOM     40  HA  TYR A   1       3.667  -0.295  -1.322  1.00  0.00           H  
ATOM     41  HB1 TYR A   1       4.279   0.323   1.602  1.00  0.00           H  
ATOM     42  HB2 TYR A   1       3.263  -1.029   1.046  1.00  0.00           H  
ATOM     43  HD1 TYR A   1       6.671   0.326   1.199  1.00  0.00           H  
ATOM     44  HD2 TYR A   1       4.236  -2.916  -0.123  1.00  0.00           H  
ATOM     45  HE1 TYR A   1       8.690  -1.031   0.823  1.00  0.00           H  
ATOM     46  HE2 TYR A   1       6.249  -4.280  -0.500  1.00  0.00           H  
ATOM     47  HH  TYR A   1       8.984  -4.012   0.692  1.00  0.00           H  
ATOM     48  H   VAL A   2       1.284  -0.464  -0.645  1.00  0.00           H  
ATOM     49  HA  VAL A   2       0.146   1.954   0.531  1.00  0.00           H  
ATOM     50  HB  VAL A   2      -1.316   2.406  -1.421  1.00  0.00           H  
ATOM     51 HG11 VAL A   2       0.431   3.343  -2.911  1.00  0.00           H  
ATOM     52 HG12 VAL A   2       0.836   3.618  -1.199  1.00  0.00           H  
ATOM     53 HG13 VAL A   2       1.656   2.329  -2.112  1.00  0.00           H  
ATOM     54 HG21 VAL A   2      -1.321   0.107  -2.349  1.00  0.00           H  
ATOM     55 HG22 VAL A   2      -0.829   1.293  -3.582  1.00  0.00           H  
ATOM     56 HG23 VAL A   2       0.397   0.278  -2.783  1.00  0.00           H  
ATOM     57  H   ALA A   3      -2.516   1.601   0.293  1.00  0.00           H  
ATOM     58  HA  ALA A   3      -3.182  -1.242   0.294  1.00  0.00           H  
ATOM     59  HB1 ALA A   3      -3.466   0.466   2.808  1.00  0.00           H  
ATOM     60  HB2 ALA A   3      -4.077  -1.193   2.606  1.00  0.00           H  
ATOM     61  HB3 ALA A   3      -2.325  -0.882   2.593  1.00  0.00           H  
ATOM     62  H   ASP A   4      -5.748  -1.307   1.117  1.00  0.00           H  
ATOM     63  HA  ASP A   4      -7.036   0.628  -0.650  1.00  0.00           H  
ATOM     64  H   ASP A   4      -8.582   1.496   1.257  1.00  0.00           H  
ATOM     65  HB1 ASP A   4      -8.132  -1.676   1.023  1.00  0.00           H  
ATOM     66  HB2 ASP A   4      -9.106  -0.678  -0.083  1.00  0.00           H  
ATOM     67  HD2 ASP A   4      -8.075  -3.537  -2.136  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   36   37   38                                       
CONECT    4    5   39    1                                            
CONECT    5    4    6    8   40                                       
CONECT    6    5    7    7   16                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   41   42                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   12   43                                       
CONECT   11    9   13   13   44                                       
CONECT   12   10   14   14   45                                       
CONECT   13   11   11   14   46                                       
CONECT   14   12   12   13   15                                       
CONECT   15   14   47                                                 
CONECT   16   17   48    6                                            
CONECT   17   16   18   20   49                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   22   50                                       
CONECT   21   20   51   52   53                                       
CONECT   22   20   54   55   56                                       
CONECT   23   24   57   18                                            
CONECT   24   23   25   27   58                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25                                                 
CONECT   27   24   59   60   61                                       
CONECT   28   29   62   25                                            
CONECT   29   28   30   32   63                                       
CONECT   30   29   31   31   64                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   65   66                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   67                                                 
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
