COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   ILE A   1       0.320   1.741  -0.550  1.00  0.00           N  
ATOM      2  CA  ILE A   1       0.367   0.279  -0.686  1.00  0.00           C  
ATOM      3  CB  ILE A   1      -0.823  -0.341   0.050  1.00  0.00           C  
ATOM      4  CG2 ILE A   1      -0.828   0.137   1.504  1.00  0.00           C  
ATOM      5  CG1 ILE A   1      -2.123   0.087  -0.632  1.00  0.00           C  
ATOM      6  CD1 ILE A   1      -3.304  -0.630   0.025  1.00  0.00           C  
ATOM      7  C   ILE A   1       1.651  -0.240  -0.090  1.00  0.00           C  
ATOM      8  O   ILE A   1       2.267   0.436   0.699  1.00  0.00           O  
ATOM      9  H1  ILE A   1       0.361   2.015   0.420  1.00  0.00           H  
ATOM     10  HA  ILE A   1       0.322   0.010  -1.741  1.00  0.00           H  
ATOM     11  HB  ILE A   1      -0.740  -1.427   0.025  1.00  0.00           H  
ATOM     12 HG21 ILE A   1      -0.911   1.224   1.529  1.00  0.00           H  
ATOM     13 HG22 ILE A   1      -1.676  -0.304   2.028  1.00  0.00           H  
ATOM     14 HG23 ILE A   1       0.098  -0.168   1.990  1.00  0.00           H  
ATOM     15 HG11 ILE A   1      -2.250   1.165  -0.530  1.00  0.00           H  
ATOM     16 HG12 ILE A   1      -2.082  -0.175  -1.690  1.00  0.00           H  
ATOM     17 HD11 ILE A   1      -3.178  -1.708  -0.078  1.00  0.00           H  
ATOM     18 HD12 ILE A   1      -3.345  -0.368   1.082  1.00  0.00           H  
ATOM     19 HD13 ILE A   1      -4.231  -0.325  -0.461  1.00  0.00           H  
ATOM     20  H2  ILE A   1       1.059   2.177  -1.081  1.00  0.00           H  
ATOM     21  OXT ILE A   1       2.110  -1.452  -0.438  1.00  0.00           O  
ATOM     22  HXT ILE A   1       2.938  -1.742  -0.030  1.00  0.00           H  
CONECT    1    2    9   20                                            
CONECT    2    3    1    7   10                                       
CONECT    3    4    5    2   11                                       
CONECT    4    3   12   13   14                                       
CONECT    5    3    6   15   16                                       
CONECT    6    5   17   18   19                                       
CONECT    7    2    8    8   21                                       
CONECT    8    7    7                                                 
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    1                                                      
CONECT   21    7   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
