COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       6.143  -0.636   0.560  1.00  0.00           C  
HETATM    2  O   UNK A   0       6.161  -0.666   1.775  1.00  0.00           O  
HETATM    3  O   UNK A   0       7.292  -0.750  -0.134  1.00  0.00           O  
HETATM    4  C   UNK A   0       8.513  -0.908   0.635  1.00  0.00           C  
HETATM    5  C   UNK A   0       9.687  -1.019  -0.303  1.00  0.00           C  
HETATM    6  C   UNK A   0      10.360   0.119  -0.706  1.00  0.00           C  
HETATM    7  C   UNK A   0      11.437   0.016  -1.567  1.00  0.00           C  
HETATM    8  C   UNK A   0      11.840  -1.224  -2.025  1.00  0.00           C  
HETATM    9  C   UNK A   0      11.167  -2.362  -1.622  1.00  0.00           C  
HETATM   10  C   UNK A   0      10.093  -2.260  -0.757  1.00  0.00           C  
ATOM     11  N   LEU A   1       4.973  -0.493  -0.093  1.00  0.00           N  
ATOM     12  CA  LEU A   1       3.723  -0.374   0.661  1.00  0.00           C  
ATOM     13  C   LEU A   1       2.572  -0.833  -0.197  1.00  0.00           C  
ATOM     14  O   LEU A   1       2.777  -1.220  -1.328  1.00  0.00           O  
ATOM     15  CB  LEU A   1       3.507   1.086   1.065  1.00  0.00           C  
ATOM     16  CG  LEU A   1       4.609   1.514   2.037  1.00  0.00           C  
ATOM     17  CD1 LEU A   1       4.467   3.006   2.344  1.00  0.00           C  
ATOM     18  CD2 LEU A   1       4.484   0.712   3.334  1.00  0.00           C  
ATOM     19  N   VAL A   2       1.316  -0.812   0.291  1.00  0.00           N  
ATOM     20  CA  VAL A   2       0.198  -1.258  -0.543  1.00  0.00           C  
ATOM     21  C   VAL A   2      -1.074  -0.601  -0.072  1.00  0.00           C  
ATOM     22  O   VAL A   2      -1.136  -0.132   1.045  1.00  0.00           O  
ATOM     23  CB  VAL A   2       0.057  -2.777  -0.438  1.00  0.00           C  
ATOM     24  CG1 VAL A   2       1.307  -3.447  -1.014  1.00  0.00           C  
ATOM     25  CG2 VAL A   2      -0.103  -3.174   1.031  1.00  0.00           C  
ATOM     26  N   ARG A   3      -2.142  -0.536  -0.891  1.00  0.00           N  
ATOM     27  CA  ARG A   3      -3.345   0.186  -0.468  1.00  0.00           C  
ATOM     28  C   ARG A   3      -4.543  -0.365  -1.198  1.00  0.00           C  
ATOM     29  O   ARG A   3      -4.405  -1.271  -1.993  1.00  0.00           O  
ATOM     30  CB  ARG A   3      -3.189   1.673  -0.793  1.00  0.00           C  
ATOM     31  CG  ARG A   3      -2.051   2.260   0.043  1.00  0.00           C  
ATOM     32  CD  ARG A   3      -1.895   3.747  -0.282  1.00  0.00           C  
ATOM     33  NE  ARG A   3      -0.804   4.310   0.518  1.00  0.00           N  
ATOM     34  CZ  ARG A   3      -0.479   5.633   0.396  1.00  0.00           C  
ATOM     35  NH1 ARG A   3      -1.153   6.410  -0.450  1.00  0.00           N  
ATOM     36  NH2 ARG A   3       0.512   6.145   1.124  1.00  0.00           N1+
ATOM     37  N   TYR A   4      -5.768   0.149  -0.968  1.00  0.00           N  
ATOM     38  CA  TYR A   4      -6.932  -0.387  -1.678  1.00  0.00           C  
ATOM     39  C   TYR A   4      -7.058   0.291  -3.018  1.00  0.00           C  
ATOM     40  O   TYR A   4      -6.258   1.134  -3.347  1.00  0.00           O  
ATOM     41  CB  TYR A   4      -8.195  -0.127  -0.854  1.00  0.00           C  
ATOM     42  CG  TYR A   4      -8.123  -0.903   0.435  1.00  0.00           C  
ATOM     43  CD1 TYR A   4      -7.552  -0.329   1.556  1.00  0.00           C  
ATOM     44  CD2 TYR A   4      -8.631  -2.188   0.497  1.00  0.00           C  
ATOM     45  CE1 TYR A   4      -7.485  -1.038   2.739  1.00  0.00           C  
ATOM     46  CE2 TYR A   4      -8.566  -2.901   1.678  1.00  0.00           C  
ATOM     47  CZ  TYR A   4      -7.989  -2.329   2.802  1.00  0.00           C  
ATOM     48  OH  TYR A   4      -7.924  -3.030   3.965  1.00  0.00           O  
ATOM     49  OXT TYR A   4      -8.060  -0.043  -3.847  1.00  0.00           O  
HETATM   50  H   UNK A   0       8.648  -0.042   1.284  1.00  0.00           H  
HETATM   51  H   UNK A   0       8.446  -1.810   1.243  1.00  0.00           H  
HETATM   52  H   UNK A   0      10.046   1.088  -0.348  1.00  0.00           H  
HETATM   53  H   UNK A   0      11.963   0.905  -1.882  1.00  0.00           H  
HETATM   54  H   UNK A   0      12.681  -1.304  -2.699  1.00  0.00           H  
HETATM   55  H   UNK A   0      11.481  -3.331  -1.980  1.00  0.00           H  
HETATM   56  H   UNK A   0       9.569  -3.150  -0.439  1.00  0.00           H  
ATOM     57  H   LEU A   1       4.958  -0.468  -1.063  1.00  0.00           H  
ATOM     58  HA  LEU A   1       3.778  -0.994   1.556  1.00  0.00           H  
ATOM     59  HB1 LEU A   1       3.541   1.717   0.177  1.00  0.00           H  
ATOM     60  HB2 LEU A   1       2.536   1.189   1.549  1.00  0.00           H  
ATOM     61  HG  LEU A   1       5.584   1.327   1.587  1.00  0.00           H  
ATOM     62 HD11 LEU A   1       3.492   3.193   2.795  1.00  0.00           H  
ATOM     63 HD12 LEU A   1       5.252   3.311   3.036  1.00  0.00           H  
ATOM     64 HD13 LEU A   1       4.556   3.577   1.420  1.00  0.00           H  
ATOM     65 HD21 LEU A   1       4.585  -0.351   3.116  1.00  0.00           H  
ATOM     66 HD22 LEU A   1       5.269   1.017   4.027  1.00  0.00           H  
ATOM     67 HD23 LEU A   1       3.509   0.899   3.785  1.00  0.00           H  
ATOM     68  H   VAL A   2       1.153  -0.502   1.196  1.00  0.00           H  
ATOM     69  HA  VAL A   2       0.386  -0.981  -1.581  1.00  0.00           H  
ATOM     70  HB  VAL A   2      -0.820  -3.101  -0.999  1.00  0.00           H  
ATOM     71 HG11 VAL A   2       2.168  -3.208  -0.390  1.00  0.00           H  
ATOM     72 HG12 VAL A   2       1.163  -4.527  -1.036  1.00  0.00           H  
ATOM     73 HG13 VAL A   2       1.480  -3.082  -2.027  1.00  0.00           H  
ATOM     74 HG21 VAL A   2      -0.993  -2.697   1.441  1.00  0.00           H  
ATOM     75 HG22 VAL A   2      -0.203  -4.257   1.106  1.00  0.00           H  
ATOM     76 HG23 VAL A   2       0.774  -2.851   1.592  1.00  0.00           H  
ATOM     77  H   ARG A   3      -2.114  -0.966  -1.759  1.00  0.00           H  
ATOM     78  HA  ARG A   3      -3.486   0.061   0.605  1.00  0.00           H  
ATOM     79  HB1 ARG A   3      -2.961   1.791  -1.852  1.00  0.00           H  
ATOM     80  HB2 ARG A   3      -4.118   2.195  -0.561  1.00  0.00           H  
ATOM     81  HG1 ARG A   3      -2.279   2.142   1.102  1.00  0.00           H  
ATOM     82  HG2 ARG A   3      -1.122   1.738  -0.189  1.00  0.00           H  
ATOM     83  HD1 ARG A   3      -1.666   3.866  -1.341  1.00  0.00           H  
ATOM     84  HD2 ARG A   3      -2.823   4.269  -0.050  1.00  0.00           H  
ATOM     85  HE  ARG A   3      -0.313   3.745   1.135  1.00  0.00           H  
ATOM     86 HH11 ARG A   3      -1.875   6.037  -0.980  1.00  0.00           H  
ATOM     87 HH12 ARG A   3      -0.922   7.348  -0.537  1.00  0.00           H  
ATOM     88 HH21 ARG A   3       1.003   5.580   1.741  1.00  0.00           H  
ATOM     89 HH22 ARG A   3       0.743   7.083   1.038  1.00  0.00           H  
ATOM     90  H   TYR A   4      -5.878   0.873  -0.333  1.00  0.00           H  
ATOM     91  HA  TYR A   4      -6.807  -1.459  -1.823  1.00  0.00           H  
ATOM     92  HB1 TYR A   4      -8.272   0.938  -0.634  1.00  0.00           H  
ATOM     93  HB2 TYR A   4      -9.070  -0.445  -1.421  1.00  0.00           H  
ATOM     94  HD1 TYR A   4      -7.159   0.676   1.506  1.00  0.00           H  
ATOM     95  HD2 TYR A   4      -9.080  -2.633  -0.379  1.00  0.00           H  
ATOM     96  HE1 TYR A   4      -7.039  -0.589   3.614  1.00  0.00           H  
ATOM     97  HE2 TYR A   4      -8.965  -3.904   1.726  1.00  0.00           H  
ATOM     98  HH  TYR A   4      -8.693  -2.912   4.539  1.00  0.00           H  
ATOM     99  HXT TYR A   4      -8.100   0.419  -4.696  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   50   51                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   52                                       
CONECT    7    6    8    8   53                                       
CONECT    8    7    7    9   54                                       
CONECT    9    8   10   10   55                                       
CONECT   10    5    9    9   56                                       
CONECT   11   12   57    1                                            
CONECT   12   11   13   15   58                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   59   60                                       
CONECT   16   15   17   18   61                                       
CONECT   17   16   62   63   64                                       
CONECT   18   16   65   66   67                                       
CONECT   19   20   68   13                                            
CONECT   20   19   21   23   69                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   25   70                                       
CONECT   24   23   71   72   73                                       
CONECT   25   23   74   75   76                                       
CONECT   26   27   77   21                                            
CONECT   27   26   28   30   78                                       
CONECT   28   27   29   29   37                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   79   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   34   85                                            
CONECT   34   33   35   36   36                                       
CONECT   35   34   86   87                                            
CONECT   36   34   34   88   89                                       
CONECT   37   38   90   28                                            
CONECT   38   37   39   41   91                                       
CONECT   39   38   40   40   49                                       
CONECT   40   39   39                                                 
CONECT   41   38   42   92   93                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42   45   94                                       
CONECT   44   42   46   46   95                                       
CONECT   45   43   47   47   96                                       
CONECT   46   44   44   47   97                                       
CONECT   47   45   45   46   48                                       
CONECT   48   47   98                                                 
CONECT   49   39   99                                                 
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
