COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -9.701   1.954   0.058  1.00  0.00           N  
HETATM    2  C   UNK A   0      -8.815   0.783   0.082  1.00  0.00           C  
HETATM    3  C   UNK A   0      -7.379   1.239   0.047  1.00  0.00           C  
HETATM    4  O   UNK A   0      -7.106   2.352  -0.352  1.00  0.00           O  
HETATM    5  C   UNK A   0      -9.100  -0.098  -1.136  1.00  0.00           C  
HETATM    6  C   UNK A   0     -10.497  -0.654  -1.038  1.00  0.00           C  
HETATM    7  O   UNK A   0     -11.196  -0.374  -0.087  1.00  0.00           O  
HETATM    8  N   UNK A   0     -10.970  -1.464  -2.006  1.00  0.00           N  
HETATM    9  N   UNK A   0      -6.398   0.411   0.458  1.00  0.00           N  
HETATM   10  C   UNK A   0      -5.002   0.855   0.423  1.00  0.00           C  
HETATM   11  C   UNK A   0      -4.096  -0.345   0.324  1.00  0.00           C  
HETATM   12  O   UNK A   0      -4.569  -1.461   0.286  1.00  0.00           O  
HETATM   13  C   UNK A   0      -4.682   1.632   1.702  1.00  0.00           C  
HETATM   14  C   UNK A   0      -5.514   2.915   1.741  1.00  0.00           C  
HETATM   15  C   UNK A   0      -5.288   3.629   3.076  1.00  0.00           C  
HETATM   16  C   UNK A   0      -5.090   3.833   0.594  1.00  0.00           C  
HETATM   17  N   UNK A   0      -2.760  -0.178   0.278  1.00  0.00           N  
HETATM   18  C   UNK A   0      -1.878  -1.344   0.181  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.503  -0.993   0.754  1.00  0.00           C  
HETATM   20  C   UNK A   0      -1.731  -1.752  -1.286  1.00  0.00           C  
HETATM   21  C   UNK A   0      -3.084  -2.221  -1.824  1.00  0.00           C  
HETATM   22  C   UNK A   0      -2.966  -2.510  -3.321  1.00  0.00           C  
HETATM   23  C   UNK A   0      -3.510  -3.495  -1.090  1.00  0.00           C  
HETATM   24  O   UNK A   0       0.059   0.091   0.012  1.00  0.00           O  
HETATM   25  O   UNK A   0      -0.641  -0.613   2.124  1.00  0.00           O  
ATOM     26  N   THR A   1       0.380  -2.163   0.657  1.00  0.00           N  
ATOM     27  CA  THR A   1       1.669  -1.905   1.313  1.00  0.00           C  
ATOM     28  C   THR A   1       2.669  -1.435   0.289  1.00  0.00           C  
ATOM     29  O   THR A   1       2.433  -1.564  -0.893  1.00  0.00           O  
ATOM     30  CB  THR A   1       2.175  -3.193   1.967  1.00  0.00           C  
ATOM     31  OG1 THR A   1       2.334  -4.203   0.968  1.00  0.00           O  
ATOM     32  CG2 THR A   1       1.164  -3.665   3.013  1.00  0.00           C  
ATOM     33  N   GLN A   2       3.826  -0.870   0.688  1.00  0.00           N  
ATOM     34  CA  GLN A   2       4.745  -0.305  -0.304  1.00  0.00           C  
ATOM     35  C   GLN A   2       6.146  -0.305   0.251  1.00  0.00           C  
ATOM     36  O   GLN A   2       6.356  -0.736   1.365  1.00  0.00           O  
ATOM     37  CB  GLN A   2       4.325   1.131  -0.628  1.00  0.00           C  
ATOM     38  CG  GLN A   2       2.954   1.121  -1.306  1.00  0.00           C  
ATOM     39  CD  GLN A   2       2.541   2.534  -1.625  1.00  0.00           C  
ATOM     40  OE1 GLN A   2       3.271   3.459  -1.339  1.00  0.00           O  
ATOM     41  NE2 GLN A   2       1.359   2.771  -2.229  1.00  0.00           N  
ATOM     42  N   ILE A   3       7.165   0.172  -0.491  1.00  0.00           N  
ATOM     43  CA  ILE A   3       8.526   0.171   0.049  1.00  0.00           C  
ATOM     44  C   ILE A   3       8.739   1.412   0.878  1.00  0.00           C  
ATOM     45  O   ILE A   3       7.845   2.214   1.005  1.00  0.00           O  
ATOM     46  CB  ILE A   3       9.532   0.150  -1.104  1.00  0.00           C  
ATOM     47  CG1 ILE A   3      10.950   0.023  -0.542  1.00  0.00           C  
ATOM     48  CG2 ILE A   3       9.415   1.447  -1.906  1.00  0.00           C  
ATOM     49  CD1 ILE A   3      11.944  -0.123  -1.695  1.00  0.00           C  
ATOM     50  OXT ILE A   3       9.922   1.625   1.476  1.00  0.00           O  
HETATM   51  H   UNK A   0      -9.556   2.500  -0.778  1.00  0.00           H  
HETATM   52  H   UNK A   0     -10.668   1.677   0.146  1.00  0.00           H  
HETATM   53  H   UNK A   0      -8.992   0.211   0.993  1.00  0.00           H  
HETATM   54  H   UNK A   0      -9.009   0.497  -2.044  1.00  0.00           H  
HETATM   55  H   UNK A   0      -8.383  -0.919  -1.166  1.00  0.00           H  
HETATM   56  H   UNK A   0     -10.411  -1.688  -2.766  1.00  0.00           H  
HETATM   57  H   UNK A   0     -11.869  -1.821  -1.943  1.00  0.00           H  
HETATM   58  H   UNK A   0      -6.616  -0.478   0.776  1.00  0.00           H  
HETATM   59  H   UNK A   0      -4.847   1.500  -0.442  1.00  0.00           H  
HETATM   60  H   UNK A   0      -4.922   1.017   2.570  1.00  0.00           H  
HETATM   61  H   UNK A   0      -3.622   1.885   1.718  1.00  0.00           H  
HETATM   62  H   UNK A   0      -6.570   2.667   1.637  1.00  0.00           H  
HETATM   63  H   UNK A   0      -4.232   3.877   3.181  1.00  0.00           H  
HETATM   64  H   UNK A   0      -5.881   4.543   3.104  1.00  0.00           H  
HETATM   65  H   UNK A   0      -5.591   2.975   3.894  1.00  0.00           H  
HETATM   66  H   UNK A   0      -5.251   3.325  -0.357  1.00  0.00           H  
HETATM   67  H   UNK A   0      -5.683   4.747   0.622  1.00  0.00           H  
HETATM   68  H   UNK A   0      -4.034   4.082   0.698  1.00  0.00           H  
HETATM   69  H   UNK A   0      -2.381   0.715   0.308  1.00  0.00           H  
HETATM   70  H   UNK A   0      -2.307  -2.171   0.747  1.00  0.00           H  
HETATM   71  H   UNK A   0      -1.386  -0.897  -1.868  1.00  0.00           H  
HETATM   72  H   UNK A   0      -1.007  -2.562  -1.367  1.00  0.00           H  
HETATM   73  H   UNK A   0      -3.829  -1.442  -1.662  1.00  0.00           H  
HETATM   74  H   UNK A   0      -2.221  -3.289  -3.483  1.00  0.00           H  
HETATM   75  H   UNK A   0      -3.930  -2.845  -3.704  1.00  0.00           H  
HETATM   76  H   UNK A   0      -2.663  -1.603  -3.844  1.00  0.00           H  
HETATM   77  H   UNK A   0      -4.474  -3.829  -1.473  1.00  0.00           H  
HETATM   78  H   UNK A   0      -2.765  -4.274  -1.252  1.00  0.00           H  
HETATM   79  H   UNK A   0      -3.595  -3.289  -0.023  1.00  0.00           H  
HETATM   80  H   UNK A   0       0.181  -0.097  -0.928  1.00  0.00           H  
HETATM   81  H   UNK A   0      -1.085  -1.274   2.673  1.00  0.00           H  
ATOM     82  H   THR A   1      -0.064  -2.984   1.041  1.00  0.00           H  
ATOM     83  HA  THR A   1       1.541  -1.137   2.076  1.00  0.00           H  
ATOM     84  HB  THR A   1       3.134  -3.003   2.448  1.00  0.00           H  
ATOM     85  HG1 THR A   1       3.025  -4.009   0.320  1.00  0.00           H  
ATOM     86 HG21 THR A   1       0.237  -3.957   2.518  1.00  0.00           H  
ATOM     87 HG22 THR A   1       1.572  -4.520   3.553  1.00  0.00           H  
ATOM     88 HG23 THR A   1       0.961  -2.856   3.714  1.00  0.00           H  
ATOM     89  H   GLN A   2       4.050  -0.837   1.631  1.00  0.00           H  
ATOM     90  HA  GLN A   2       4.713  -0.906  -1.212  1.00  0.00           H  
ATOM     91  HB1 GLN A   2       4.271   1.710   0.294  1.00  0.00           H  
ATOM     92  HB2 GLN A   2       5.058   1.581  -1.297  1.00  0.00           H  
ATOM     93  HG1 GLN A   2       3.008   0.541  -2.228  1.00  0.00           H  
ATOM     94  HG2 GLN A   2       2.221   0.670  -0.637  1.00  0.00           H  
ATOM     95 HE21 GLN A   2       0.775   2.032  -2.459  1.00  0.00           H  
ATOM     96 HE22 GLN A   2       1.094   3.681  -2.435  1.00  0.00           H  
ATOM     97  H   ILE A   3       6.996   0.516  -1.382  1.00  0.00           H  
ATOM     98  HA  ILE A   3       8.670  -0.711   0.673  1.00  0.00           H  
ATOM     99  HB  ILE A   3       9.321  -0.700  -1.754  1.00  0.00           H  
ATOM    100 HG11 ILE A   3      11.192   0.915   0.036  1.00  0.00           H  
ATOM    101 HG12 ILE A   3      11.008  -0.854   0.102  1.00  0.00           H  
ATOM    102 HG21 ILE A   3      10.132   1.432  -2.728  1.00  0.00           H  
ATOM    103 HG22 ILE A   3       8.406   1.538  -2.306  1.00  0.00           H  
ATOM    104 HG23 ILE A   3       9.626   2.297  -1.256  1.00  0.00           H  
ATOM    105 HD11 ILE A   3      12.954  -0.214  -1.295  1.00  0.00           H  
ATOM    106 HD12 ILE A   3      11.701  -1.015  -2.273  1.00  0.00           H  
ATOM    107 HD13 ILE A   3      11.885   0.754  -2.339  1.00  0.00           H  
ATOM    108  HXT ILE A   3      10.011   2.435   1.997  1.00  0.00           H  
CONECT    1    2   51   52                                            
CONECT    2    1    3    5   53                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   54   55                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   56   57                                            
CONECT    9   10   58    3                                            
CONECT   10    9   11   13   59                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   60   61                                       
CONECT   14   13   15   16   62                                       
CONECT   15   14   63   64   65                                       
CONECT   16   14   66   67   68                                       
CONECT   17   18   69   11                                            
CONECT   18   17   20   70   19                                       
CONECT   19   18   25   24   26                                       
CONECT   20   18   21   71   72                                       
CONECT   21   20   23   73   22                                       
CONECT   22   21   74   75   76                                       
CONECT   23   21   77   78   79                                       
CONECT   24   19   80                                                 
CONECT   25   19   81                                                 
CONECT   26   19   82   27                                            
CONECT   27   26   28   83   30                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28                                                 
CONECT   30   27   84   31   32                                       
CONECT   31   30   85                                                 
CONECT   32   30   86   87   88                                       
CONECT   33   34   89   28                                            
CONECT   34   33   35   37   90                                       
CONECT   35   34   36   36   42                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   91   92                                       
CONECT   38   37   39   93   94                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   95   96                                            
CONECT   42   43   97   35                                            
CONECT   43   42   44   46   98                                       
CONECT   44   43   45   45   50                                       
CONECT   45   44   44                                                 
CONECT   46   43   47   48   99                                       
CONECT   47   46   49  100  101                                       
CONECT   48   46  102  103  104                                       
CONECT   49   47  105  106  107                                       
CONECT   50   44  108                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
