COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  C   ILE A   1       6.832  -1.736  -0.705  1.00  0.00           C  
ATOM      2  CD1 ILE A   1       6.110  -2.967  -1.029  1.00  0.00           C  
ATOM      3  CG1 ILE A   1       5.132  -3.523  -0.511  1.00  0.00           C  
ATOM      4  O   ILE A   1       5.102  -0.248   1.964  1.00  0.00           O  
ATOM      5  C   ILE A   1       6.611   1.400   1.091  1.00  0.00           C  
HETATM    6  C   UNK A   0       1.497   0.155  -1.242  1.00  0.00           C  
HETATM    7  C   UNK A   0      -3.343   1.232  -0.503  1.00  0.00           C  
HETATM    8  C   UNK A   0      -4.762   0.843  -0.175  1.00  0.00           C  
HETATM    9  C   UNK A   0      -4.755  -0.308   0.833  1.00  0.00           C  
HETATM   10  C   UNK A   0      -6.173  -0.657   1.206  1.00  0.00           C  
HETATM   11  C   UNK A   0      -6.790  -1.753   0.630  1.00  0.00           C  
HETATM   12  C   UNK A   0      -6.854   0.114   2.128  1.00  0.00           C  
HETATM   13  C   UNK A   0      -8.153  -0.210   2.476  1.00  0.00           C  
HETATM   14  C   UNK A   0      -8.770  -1.304   1.900  1.00  0.00           C  
HETATM   15  C   UNK A   0      -8.092  -2.073   0.973  1.00  0.00           C  
ATOM     16  CA  ILE A   1       7.262   0.192   0.468  1.00  0.00           C  
HETATM   17  C   UNK A   0       2.302  -0.344  -0.070  1.00  0.00           C  
ATOM     18  CA  ILE A   1       3.943  -1.857   0.907  1.00  0.00           C  
ATOM     19  CG2 ILE A   1       5.097  -3.815   1.936  1.00  0.00           C  
HETATM   20  C   UNK A   0       1.689   1.925  -2.885  1.00  0.00           C  
ATOM     21  C   ILE A   1       5.177  -1.032   1.042  1.00  0.00           C  
HETATM   22  C   UNK A   0      -1.169   3.310  -1.095  1.00  0.00           C  
HETATM   23  C   UNK A   0       1.083   2.485  -1.577  1.00  0.00           C  
HETATM   24  C   UNK A   0      -0.125   3.325  -1.872  1.00  0.00           C  
HETATM   25  C   UNK A   0      -1.878   2.837   2.458  1.00  0.00           C  
ATOM     26  C   ILE A   1       7.624   0.480  -1.010  1.00  0.00           C  
HETATM   27  C   UNK A   0      -3.149   2.568   1.614  1.00  0.00           C  
HETATM   28  C   UNK A   0      -0.347   1.279   0.066  1.00  0.00           C  
HETATM   29  C   UNK A   0      -4.998  -0.651  -2.085  1.00  0.00           C  
HETATM   30  C   UNK A   0      -5.703  -1.088  -3.343  1.00  0.00           C  
HETATM   31  C   UNK A   0      -0.881   3.324   1.374  1.00  0.00           C  
HETATM   32  C   UNK A   0      -1.263   2.472   0.146  1.00  0.00           C  
ATOM     33  C   ILE A   1       6.974  -0.685  -1.815  1.00  0.00           C  
ATOM     34  CB  ILE A   1       4.306  -3.332   0.719  1.00  0.00           C  
HETATM   35  C   UNK A   0       2.443   0.675  -2.349  1.00  0.00           C  
ATOM     36  N   ILE A   1       6.303  -0.945   0.421  1.00  0.00           N  
ATOM     37  N   ILE A   1       3.160  -1.372  -0.231  1.00  0.00           N  
HETATM   38  N   UNK A   0       0.660   1.286  -0.827  1.00  0.00           N  
HETATM   39  N   UNK A   0      -5.447   0.418  -1.398  1.00  0.00           N  
HETATM   40  N   UNK A   0      -2.648   2.019   0.341  1.00  0.00           N  
ATOM     41  O   ILE A   1       5.471   1.685   0.808  1.00  0.00           O  
ATOM     42  OXT ILE A   1       7.296   2.159   1.960  1.00  0.00           O  
HETATM   43  O   UNK A   0      -0.515   0.326   0.797  1.00  0.00           O  
HETATM   44  O   UNK A   0      -2.828   0.836  -1.527  1.00  0.00           O  
HETATM   45  O   UNK A   0      -4.026  -1.260  -1.691  1.00  0.00           O  
HETATM   46  O   UNK A   0       2.180   0.178   1.017  1.00  0.00           O  
HETATM   47 CL   UNK A   0      -5.932  -2.727  -0.524  1.00  0.00          Cl  
ATOM     48  H   ILE A   1       7.845  -2.028  -0.425  1.00  0.00           H  
ATOM     49  HD1 ILE A   1       6.506  -3.493  -1.885  1.00  0.00           H  
ATOM     50  HG1 ILE A   1       4.788  -4.360  -1.100  1.00  0.00           H  
HETATM   51  H   UNK A   0       0.870  -0.646  -1.634  1.00  0.00           H  
HETATM   52  H   UNK A   0      -5.283   1.699   0.255  1.00  0.00           H  
HETATM   53  H   UNK A   0      -4.272  -1.178   0.387  1.00  0.00           H  
HETATM   54  H   UNK A   0      -4.208  -0.006   1.726  1.00  0.00           H  
HETATM   55  H   UNK A   0      -6.373   0.969   2.578  1.00  0.00           H  
HETATM   56  H   UNK A   0      -8.684   0.390   3.200  1.00  0.00           H  
HETATM   57  H   UNK A   0      -9.785  -1.557   2.172  1.00  0.00           H  
HETATM   58  H   UNK A   0      -8.574  -2.928   0.524  1.00  0.00           H  
ATOM     59  HA  ILE A   1       8.155  -0.087   1.028  1.00  0.00           H  
ATOM     60  HA  ILE A   1       3.349  -1.766   1.817  1.00  0.00           H  
ATOM     61 HG21 ILE A   1       6.019  -3.240   2.022  1.00  0.00           H  
ATOM     62 HG22 ILE A   1       4.498  -3.678   2.836  1.00  0.00           H  
ATOM     63 HG23 ILE A   1       5.337  -4.872   1.817  1.00  0.00           H  
HETATM   64  H   UNK A   0       0.908   1.641  -3.590  1.00  0.00           H  
HETATM   65  H   UNK A   0       2.380   2.638  -3.334  1.00  0.00           H  
HETATM   66  H   UNK A   0      -2.011   3.934  -1.356  1.00  0.00           H  
HETATM   67  H   UNK A   0       1.825   3.058  -1.021  1.00  0.00           H  
HETATM   68  H   UNK A   0      -0.129   3.955  -2.749  1.00  0.00           H  
HETATM   69  H   UNK A   0      -2.059   3.615   3.200  1.00  0.00           H  
HETATM   70  H   UNK A   0      -1.524   1.923   2.933  1.00  0.00           H  
ATOM     71  H   ILE A   1       7.207   1.437  -1.324  1.00  0.00           H  
ATOM     72  H   ILE A   1       8.706   0.477  -1.143  1.00  0.00           H  
HETATM   73  H   UNK A   0      -3.790   1.842   2.114  1.00  0.00           H  
HETATM   74  H   UNK A   0      -3.693   3.497   1.441  1.00  0.00           H  
HETATM   75  H   UNK A   0      -6.482  -1.807  -3.092  1.00  0.00           H  
HETATM   76  H   UNK A   0      -6.151  -0.221  -3.829  1.00  0.00           H  
HETATM   77  H   UNK A   0      -4.985  -1.553  -4.019  1.00  0.00           H  
HETATM   78  H   UNK A   0      -1.024   4.385   1.167  1.00  0.00           H  
HETATM   79  H   UNK A   0       0.147   3.127   1.679  1.00  0.00           H  
ATOM     80  H   ILE A   1       7.635  -1.034  -2.609  1.00  0.00           H  
ATOM     81  H   ILE A   1       6.001  -0.396  -2.213  1.00  0.00           H  
ATOM     82  HB  ILE A   1       3.391  -3.917   0.631  1.00  0.00           H  
HETATM   83  H   UNK A   0       3.409   0.956  -1.931  1.00  0.00           H  
HETATM   84  H   UNK A   0       2.562  -0.070  -3.135  1.00  0.00           H  
ATOM     85  H   ILE A   1       3.258  -1.789  -1.101  1.00  0.00           H  
HETATM   86  H   UNK A   0      -6.224   0.905  -1.713  1.00  0.00           H  
ATOM     87  HXT ILE A   1       6.836   2.923   2.334  1.00  0.00           H  
CONECT    1    2   33   36   48                                       
CONECT    2    3    3    1   49                                       
CONECT    3    2    2   34   50                                       
CONECT    4   21   21                                                 
CONECT    5   41   41   16   42                                       
CONECT    6   17   35   38   51                                       
CONECT    7    8   44   44   40                                       
CONECT    8    9    7   39   52                                       
CONECT    9   10    8   53   54                                       
CONECT   10   12   12   11    9                                       
CONECT   11   15   15   10   47                                       
CONECT   12   13   10   10   55                                       
CONECT   13   14   14   12   56                                       
CONECT   14   13   13   15   57                                       
CONECT   15   14   11   11   58                                       
CONECT   16    5   36   26   59                                       
CONECT   17   37   46   46    6                                       
CONECT   18   34   21   37   60                                       
CONECT   19   34   61   62   63                                       
CONECT   20   35   23   64   65                                       
CONECT   21   18   36    4    4                                       
CONECT   22   32   24   24   66                                       
CONECT   23   38   20   24   67                                       
CONECT   24   23   22   22   68                                       
CONECT   25   31   27   69   70                                       
CONECT   26   33   16   71   72                                       
CONECT   27   40   25   73   74                                       
CONECT   28   43   43   38   32                                       
CONECT   29   39   45   45   30                                       
CONECT   30   29   75   76   77                                       
CONECT   31   32   25   78   79                                       
CONECT   32   28   40   31   22                                       
CONECT   33    1   26   80   81                                       
CONECT   34    3   19   18   82                                       
CONECT   35    6   20   83   84                                       
CONECT   36    1   21   16                                            
CONECT   37   18   17   85                                            
CONECT   38    6   28   23                                            
CONECT   39    8   29   86                                            
CONECT   40    7   32   27                                            
CONECT   41    5    5                                                 
CONECT   42    5   87                                                 
CONECT   43   28   28                                                 
CONECT   44    7    7                                                 
CONECT   45   29   29                                                 
CONECT   46   17   17                                                 
CONECT   47   11                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   37                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
