COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   3      -2.099   1.900  -4.019  1.00  0.00           C  
HETATM    2  C   UNK A   3      -1.457   1.074  -2.902  1.00  0.00           C  
HETATM    3  C   UNK A   3      -1.519   1.860  -1.586  1.00  0.00           C  
HETATM    4  C   UNK A   3      -0.853   3.228  -1.845  1.00  0.00           C  
HETATM    5  O   UNK A   3      -2.859   2.096  -1.213  1.00  0.00           O  
HETATM    6  C   UNK A   1      -3.670   1.235  -0.574  1.00  0.00           C  
HETATM    7  C   UNK A   1      -3.866  -0.062  -1.015  1.00  0.00           C  
HETATM    8  C   UNK A   1      -4.367   1.674   0.557  1.00  0.00           C  
HETATM    9  O   UNK A   1      -4.215   2.958   0.986  1.00  0.00           O  
HETATM   10  C   UNK A   1      -5.213   0.815   1.235  1.00  0.00           C  
HETATM   11 CL   UNK A   1      -6.079   1.370   2.635  1.00  0.00          Cl  
HETATM   12  C   UNK A   1      -5.372  -0.489   0.798  1.00  0.00           C  
HETATM   13  C   UNK A   1      -4.694  -0.927  -0.321  1.00  0.00           C  
HETATM   14  C   UNK A   1      -4.839  -2.351  -0.792  1.00  0.00           C  
HETATM   15  O   UNK A   1      -6.089  -2.881  -0.345  1.00  0.00           O  
HETATM   16  C   UNK A   1      -3.695  -3.200  -0.233  1.00  0.00           C  
HETATM   17  N   UNK A   1      -3.609  -3.011   1.222  1.00  0.00           N  
HETATM   18  C   UNK A   0      -4.452  -3.984   1.930  1.00  0.00           C  
HETATM   19  C   UNK A   1      -2.395  -2.784  -0.879  1.00  0.00           C  
HETATM   20  O   UNK A   1      -2.415  -2.281  -1.983  1.00  0.00           O  
ATOM     21  N   VAL A   2      -1.235  -2.996  -0.187  1.00  0.00           N  
ATOM     22  CA  VAL A   2       0.028  -2.575  -0.829  1.00  0.00           C  
ATOM     23  CB  VAL A   2       0.241  -3.270  -2.146  1.00  0.00           C  
ATOM     24  CG1 VAL A   2       1.429  -2.914  -3.002  1.00  0.00           C  
ATOM     25  CG2 VAL A   2      -0.607  -4.184  -2.549  1.00  0.00           C  
ATOM     26  C   VAL A   2       0.061  -1.082  -0.999  1.00  0.00           C  
ATOM     27  O   VAL A   2       1.004  -0.563  -1.572  1.00  0.00           O  
HETATM   28  N   UNK A   3      -0.954  -0.306  -0.517  1.00  0.00           N  
HETATM   29  C   UNK A   3      -0.702   1.149  -0.516  1.00  0.00           C  
HETATM   30  C   UNK A   3      -0.984   1.726   0.847  1.00  0.00           C  
HETATM   31  O   UNK A   3      -1.871   1.261   1.531  1.00  0.00           O  
ATOM     32  N   PRO A   4      -0.249   2.758   1.307  1.00  0.00           N  
ATOM     33  CD  PRO A   4      -0.375   3.429   2.609  1.00  0.00           C  
ATOM     34  CG  PRO A   4       0.666   4.516   2.650  1.00  0.00           C  
ATOM     35  CB  PRO A   4       1.347   4.527   1.538  1.00  0.00           C  
ATOM     36  CA  PRO A   4       0.850   3.446   0.615  1.00  0.00           C  
ATOM     37  C   PRO A   4       1.960   2.470   0.319  1.00  0.00           C  
ATOM     38  O   PRO A   4       1.967   1.380   0.851  1.00  0.00           O  
ATOM     39  N   ILE A   5       2.945   2.809  -0.535  1.00  0.00           N  
ATOM     40  CA  ILE A   5       3.923   1.869  -0.887  1.00  0.00           C  
ATOM     41  CB  ILE A   5       4.831   2.167  -1.820  1.00  0.00           C  
ATOM     42  CG2 ILE A   5       4.882   3.554  -2.407  1.00  0.00           C  
ATOM     43  CG1 ILE A   5       5.805   1.115  -2.286  1.00  0.00           C  
ATOM     44  CD1 ILE A   5       5.268   0.448  -3.553  1.00  0.00           C  
ATOM     45  C   ILE A   5       3.949   0.551  -0.226  1.00  0.00           C  
ATOM     46  O   ILE A   5       3.308  -0.373  -0.688  1.00  0.00           O  
ATOM     47  N   ASP A   6       4.683   0.371   0.890  1.00  0.00           N  
ATOM     48  CA  ASP A   6       4.772  -0.883   1.463  1.00  0.00           C  
ATOM     49  C   ASP A   6       4.151  -2.050   0.794  1.00  0.00           C  
ATOM     50  O   ASP A   6       3.008  -2.364   1.058  1.00  0.00           O  
ATOM     51  OXT ASP A   6       4.853  -2.762  -0.108  1.00  0.00           O  
ATOM     52  CB  ASP A   6       5.428  -1.046   2.637  1.00  0.00           C  
ATOM     53  CG  ASP A   6       5.633  -2.391   3.182  1.00  0.00           C  
ATOM     54  OD1 ASP A   6       6.377  -2.563   4.293  1.00  0.00           O  
ATOM     55  OD2 ASP A   6       5.131  -3.352   2.632  1.00  0.00           O  
HETATM   56  H   UNK A   3      -1.560   2.841  -4.131  1.00  0.00           H  
HETATM   57  H   UNK A   3      -2.055   1.342  -4.954  1.00  0.00           H  
HETATM   58  H   UNK A   3      -3.139   2.105  -3.767  1.00  0.00           H  
HETATM   59  H   UNK A   3      -1.996   0.134  -2.790  1.00  0.00           H  
HETATM   60  H   UNK A   3      -0.417   0.869  -3.154  1.00  0.00           H  
HETATM   61  H   UNK A   3      -1.347   3.720  -2.682  1.00  0.00           H  
HETATM   62  H   UNK A   3      -0.942   3.851  -0.954  1.00  0.00           H  
HETATM   63  H   UNK A   3       0.201   3.081  -2.080  1.00  0.00           H  
HETATM   64  H   UNK A   1      -3.390  -0.407  -1.920  1.00  0.00           H  
HETATM   65  H   UNK A   1      -4.890   3.566   0.656  1.00  0.00           H  
HETATM   66  H   UNK A   1      -6.032  -1.156   1.333  1.00  0.00           H  
HETATM   67  H   UNK A   1      -4.807  -2.376  -1.882  1.00  0.00           H  
HETATM   68  H   UNK A   1      -6.860  -2.395  -0.668  1.00  0.00           H  
HETATM   69  H   UNK A   1      -3.883  -4.252  -0.451  1.00  0.00           H  
HETATM   70  H   UNK A   1      -2.652  -3.065   1.538  1.00  0.00           H  
HETATM   71  H   UNK A   0      -5.500  -3.797   1.693  1.00  0.00           H  
HETATM   72  H   UNK A   0      -4.184  -4.993   1.617  1.00  0.00           H  
HETATM   73  H   UNK A   0      -4.299  -3.884   3.004  1.00  0.00           H  
ATOM     74  H   VAL A   2      -1.232  -3.416   0.701  1.00  0.00           H  
ATOM     75  HA  VAL A   2       0.863  -2.859  -0.164  1.00  0.00           H  
ATOM     76 HG11 VAL A   2       2.068  -2.214  -2.464  1.00  0.00           H  
ATOM     77 HG12 VAL A   2       1.993  -3.817  -3.234  1.00  0.00           H  
ATOM     78 HG13 VAL A   2       1.085  -2.454  -3.928  1.00  0.00           H  
ATOM     79 HG21 VAL A   2      -1.444  -4.457  -1.924  1.00  0.00           H  
ATOM     80 HG22 VAL A   2      -0.468  -4.664  -3.507  1.00  0.00           H  
HETATM   81  H   UNK A   3      -1.779  -0.688  -0.180  1.00  0.00           H  
HETATM   82  H   UNK A   3       0.367   1.314  -0.731  1.00  0.00           H  
ATOM     83  HD1 PRO A   4      -1.369   3.864   2.708  1.00  0.00           H  
ATOM     84  HD2 PRO A   4      -0.198   2.715   3.413  1.00  0.00           H  
ATOM     85  HG  PRO A   4       0.826   5.189   3.480  1.00  0.00           H  
ATOM     86  HB  PRO A   4       2.153   5.211   1.312  1.00  0.00           H  
ATOM     87  HA  PRO A   4       0.486   3.889  -0.311  1.00  0.00           H  
ATOM     88  H   ILE A   5       2.978   3.705  -0.908  1.00  0.00           H  
ATOM     89 HG21 ILE A   5       4.051   4.143  -2.018  1.00  0.00           H  
ATOM     90 HG22 ILE A   5       5.824   4.029  -2.135  1.00  0.00           H  
ATOM     91 HG23 ILE A   5       4.806   3.492  -3.493  1.00  0.00           H  
ATOM     92 HG11 ILE A   5       6.767   1.581  -2.500  1.00  0.00           H  
ATOM     93 HG12 ILE A   5       5.930   0.365  -1.505  1.00  0.00           H  
ATOM     94 HD11 ILE A   5       4.306  -0.017  -3.339  1.00  0.00           H  
ATOM     95 HD12 ILE A   5       5.143   1.199  -4.334  1.00  0.00           H  
ATOM     96 HD13 ILE A   5       5.972  -0.312  -3.890  1.00  0.00           H  
ATOM     97  H   ASP A   6       5.148   1.122   1.291  1.00  0.00           H  
ATOM     98  HXT ASP A   6       4.405  -3.515  -0.519  1.00  0.00           H  
ATOM     99  HB  ASP A   6       5.801  -0.185   3.172  1.00  0.00           H  
ATOM    100  HD1 ASP A   6       6.484  -3.468   4.615  1.00  0.00           H  
CONECT    1    2   56   57   58                                       
CONECT    2    1    3   59   60                                       
CONECT    3    2    4    5   29                                       
CONECT    4    3   61   62   63                                       
CONECT    5    3    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   13   64                                       
CONECT    8    6    9   10   10                                       
CONECT    9    8   65                                                 
CONECT   10    8    8   11   12                                       
CONECT   11   10                                                      
CONECT   12   10   13   13   66                                       
CONECT   13    7   12   12   14                                       
CONECT   14   13   15   16   67                                       
CONECT   15   14   68                                                 
CONECT   16   14   17   19   69                                       
CONECT   17   16   18   70                                            
CONECT   18   17   71   72   73                                       
CONECT   19   16   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   74                                            
CONECT   22   21   23   26   75                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   76   77   78                                       
CONECT   25   23   23   79   80                                       
CONECT   26   22   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   81                                            
CONECT   29    3   28   30   82                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   36                                            
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   35   85                                       
CONECT   35   34   34   36   86                                       
CONECT   36   32   35   37   87                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   88                                            
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41   89   90   91                                       
CONECT   43   41   44   92   93                                       
CONECT   44   43   94   95   96                                       
CONECT   45   40   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   97                                            
CONECT   48   47   49   52   52                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   98                                                 
CONECT   52   48   48   53   99                                       
CONECT   53   52   54   55   55                                       
CONECT   54   53  100                                                 
CONECT   55   53   53                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   39                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   47                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   54                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
