COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -5.634   2.715  -0.441  1.00  0.00           C  
HETATM    2  C   UNK A   0      -5.034   3.626  -1.514  1.00  0.00           C  
HETATM    3  C   UNK A   0      -3.546  -1.281   0.231  1.00  0.00           C  
HETATM    4  C   UNK A   0      -3.952  -0.242   1.278  1.00  0.00           C  
HETATM    5  O   UNK A   0      -4.385  -1.602   1.345  1.00  0.00           O  
HETATM    6  C   UNK A   0      -2.126  -1.784   0.253  1.00  0.00           C  
HETATM    7  O   UNK A   0      -1.895  -2.936   0.555  1.00  0.00           O  
ATOM      8  N   THR A   1      -1.112  -0.955  -0.063  1.00  0.00           N  
ATOM      9  CA  THR A   1       0.269  -1.444  -0.041  1.00  0.00           C  
ATOM     10  C   THR A   1       1.208  -0.287   0.183  1.00  0.00           C  
ATOM     11  O   THR A   1       0.768   0.835   0.313  1.00  0.00           O  
ATOM     12  CB  THR A   1       0.594  -2.113  -1.378  1.00  0.00           C  
ATOM     13  OG1 THR A   1       0.555  -1.137  -2.421  1.00  0.00           O  
ATOM     14  CG2 THR A   1      -0.437  -3.207  -1.665  1.00  0.00           C  
ATOM     15  N   ILE A   2       2.538  -0.500   0.241  1.00  0.00           N  
ATOM     16  CA  ILE A   2       3.451   0.624   0.459  1.00  0.00           C  
ATOM     17  C   ILE A   2       3.760   1.284  -0.860  1.00  0.00           C  
ATOM     18  O   ILE A   2       4.582   2.344  -0.904  1.00  0.00           O  
ATOM     19  CB  ILE A   2       4.749   0.113   1.089  1.00  0.00           C  
ATOM     20  CG1 ILE A   2       5.652   1.299   1.431  1.00  0.00           C  
ATOM     21  CG2 ILE A   2       5.468  -0.807   0.100  1.00  0.00           C  
ATOM     22  CD1 ILE A   2       6.892   0.798   2.173  1.00  0.00           C  
ATOM     23  OXT ILE A   2       3.267   0.859  -1.878  1.00  0.00           O  
HETATM   24  C   UNK A   0      -4.966   0.799   0.878  1.00  0.00           C  
HETATM   25  O   UNK A   0      -6.057   0.811   1.397  1.00  0.00           O  
HETATM   26  O   UNK A   0      -4.657   1.713  -0.056  1.00  0.00           O  
HETATM   27  H   UNK A   0      -5.907   3.311   0.430  1.00  0.00           H  
HETATM   28  H   UNK A   0      -6.523   2.224  -0.837  1.00  0.00           H  
HETATM   29  H   UNK A   0      -4.146   4.118  -1.117  1.00  0.00           H  
HETATM   30  H   UNK A   0      -4.762   3.031  -2.385  1.00  0.00           H  
HETATM   31  H   UNK A   0      -5.768   4.379  -1.803  1.00  0.00           H  
HETATM   32  H   UNK A   0      -4.011  -1.219  -0.753  1.00  0.00           H  
HETATM   33  H   UNK A   0      -3.193   0.086   1.989  1.00  0.00           H  
ATOM     34  H   THR A   1      -1.296  -0.034  -0.304  1.00  0.00           H  
ATOM     35  HA  THR A   1       0.385  -2.168   0.765  1.00  0.00           H  
ATOM     36  HB  THR A   1       1.589  -2.555  -1.331  1.00  0.00           H  
ATOM     37  HG1 THR A   1      -0.340  -0.771  -2.429  1.00  0.00           H  
ATOM     38 HG21 THR A   1      -1.432  -2.765  -1.712  1.00  0.00           H  
ATOM     39 HG22 THR A   1      -0.205  -3.684  -2.617  1.00  0.00           H  
ATOM     40 HG23 THR A   1      -0.407  -3.952  -0.869  1.00  0.00           H  
ATOM     41  H   ILE A   2       2.890  -1.398   0.137  1.00  0.00           H  
ATOM     42  HA  ILE A   2       2.984   1.348   1.127  1.00  0.00           H  
ATOM     43  H   ILE A   2       4.780   2.768  -1.751  1.00  0.00           H  
ATOM     44  HB  ILE A   2       4.517  -0.442   1.998  1.00  0.00           H  
ATOM     45 HG11 ILE A   2       5.955   1.801   0.513  1.00  0.00           H  
ATOM     46 HG12 ILE A   2       5.107   1.999   2.065  1.00  0.00           H  
ATOM     47 HG21 ILE A   2       6.392  -1.171   0.549  1.00  0.00           H  
ATOM     48 HG22 ILE A   2       4.824  -1.652  -0.144  1.00  0.00           H  
ATOM     49 HG23 ILE A   2       5.699  -0.253  -0.809  1.00  0.00           H  
ATOM     50 HD11 ILE A   2       6.588   0.296   3.092  1.00  0.00           H  
ATOM     51 HD12 ILE A   2       7.437   0.098   1.539  1.00  0.00           H  
ATOM     52 HD13 ILE A   2       7.536   1.644   2.417  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1   29   30   31                                       
CONECT    3    4    5    6   32                                       
CONECT    4    3    5   24   33                                       
CONECT    5    3    4                                                 
CONECT    6    3    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   34                                            
CONECT    9    8   10   12   35                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   14   36                                       
CONECT   13   12   37                                                 
CONECT   14   12   38   39   40                                       
CONECT   15   10   16   41                                            
CONECT   16   15   17   19   42                                       
CONECT   17   16   18   23   23                                       
CONECT   18   17   43                                                 
CONECT   19   16   20   21   44                                       
CONECT   20   19   22   45   46                                       
CONECT   21   19   47   48   49                                       
CONECT   22   20   50   51   52                                       
CONECT   23   17   17                                                 
CONECT   24    4   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26    1   24                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
