COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   ILE A   1       1.940   0.328  -0.357  1.00  0.00           N  
ATOM      2  CA  ILE A   1       0.483   0.516  -0.363  1.00  0.00           C  
ATOM      3  C   ILE A   1      -0.089  -0.038  -1.642  1.00  0.00           C  
ATOM      4  O   ILE A   1       0.451  -0.967  -2.193  1.00  0.00           O  
ATOM      5  CB  ILE A   1      -0.130  -0.217   0.830  1.00  0.00           C  
ATOM      6  CG1 ILE A   1       0.450   0.345   2.128  1.00  0.00           C  
ATOM      7  CG2 ILE A   1      -1.648  -0.021   0.823  1.00  0.00           C  
ATOM      8  CD1 ILE A   1      -0.163  -0.388   3.322  1.00  0.00           C  
ATOM      9  OXT ILE A   1      -1.199   0.500  -2.169  1.00  0.00           O  
ATOM     10  H1  ILE A   1       2.289   0.737  -1.211  1.00  0.00           H  
ATOM     11  H2  ILE A   1       2.104  -0.665  -0.423  1.00  0.00           H  
ATOM     12  HA  ILE A   1       0.254   1.579  -0.293  1.00  0.00           H  
ATOM     13  HB  ILE A   1       0.098  -1.280   0.760  1.00  0.00           H  
ATOM     14 HG11 ILE A   1       0.221   1.408   2.198  1.00  0.00           H  
ATOM     15 HG12 ILE A   1       1.531   0.205   2.133  1.00  0.00           H  
ATOM     16 HG21 ILE A   1      -1.877   1.041   0.893  1.00  0.00           H  
ATOM     17 HG22 ILE A   1      -2.062  -0.422  -0.101  1.00  0.00           H  
ATOM     18 HG23 ILE A   1      -2.085  -0.544   1.674  1.00  0.00           H  
ATOM     19 HD11 ILE A   1       0.250   0.012   4.247  1.00  0.00           H  
ATOM     20 HD12 ILE A   1      -1.244  -0.248   3.318  1.00  0.00           H  
ATOM     21 HD13 ILE A   1       0.065  -1.451   3.252  1.00  0.00           H  
ATOM     22  HXT ILE A   1      -1.567   0.144  -2.990  1.00  0.00           H  
CONECT    1    2   10   11                                            
CONECT    2    1    3    5   12                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    7   13                                       
CONECT    6    5    8   14   15                                       
CONECT    7    5   16   17   18                                       
CONECT    8    6   19   20   21                                       
CONECT    9    3   22                                                 
CONECT   10    1                                                      
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    5                                                      
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
