COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  C   ILE A   1      -3.540   0.669   1.079  1.00  0.00           C  
ATOM      2  N   ILE A   1      -1.798  -0.294  -0.308  1.00  0.00           N  
ATOM      3  OXT ILE A   1      -2.702   0.683   1.949  1.00  0.00           O  
ATOM      4  CA  ILE A   1      -3.198   0.136  -0.289  1.00  0.00           C  
ATOM      5  CB  ILE A   1      -4.102  -1.055  -0.613  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.630  -3.797   1.130  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.405  -2.289   1.002  1.00  0.00           C  
HETATM    8  C   UNK A   0       5.131  -1.774  -0.214  1.00  0.00           C  
HETATM    9  C   UNK A   0       4.490  -1.062  -1.107  1.00  0.00           C  
HETATM   10  C   UNK A   0       3.077  -0.612  -0.839  1.00  0.00           C  
HETATM   11  C   UNK A   0       2.981   0.904  -1.023  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.772   1.610   0.064  1.00  0.00           C  
HETATM   13  O   UNK A   0       4.817   1.260   0.560  1.00  0.00           O  
HETATM   14  C   UNK A   0       2.958   2.857   0.391  1.00  0.00           C  
HETATM   15  C   UNK A   0       1.497   2.349   0.311  1.00  0.00           C  
HETATM   16  C   UNK A   0       1.518   1.360  -0.875  1.00  0.00           C  
HETATM   17  C   UNK A   0       0.619   0.158  -0.575  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.821   0.601  -0.554  1.00  0.00           C  
HETATM   19  O   UNK A   0      -1.101   1.763  -0.760  1.00  0.00           O  
ATOM     20  CD1 ILE A   1      -6.440  -1.745  -1.161  1.00  0.00           C  
ATOM     21  CG1 ILE A   1      -5.553  -0.580  -0.715  1.00  0.00           C  
ATOM     22  CG2 ILE A   1      -3.985  -2.101   0.497  1.00  0.00           C  
ATOM     23  O   ILE A   1      -4.778   1.124   1.331  1.00  0.00           O  
ATOM     24  H   ILE A   1      -1.574  -1.224  -0.144  1.00  0.00           H  
ATOM     25  HA  ILE A   1      -3.348   0.919  -1.032  1.00  0.00           H  
ATOM     26  HB  ILE A   1      -3.796  -1.495  -1.562  1.00  0.00           H  
HETATM   27  H   UNK A   0       4.104  -4.169   2.010  1.00  0.00           H  
HETATM   28  H   UNK A   0       4.248  -4.298   0.240  1.00  0.00           H  
HETATM   29  H   UNK A   0       3.339  -2.088   0.901  1.00  0.00           H  
HETATM   30  H   UNK A   0       6.180  -1.993  -0.349  1.00  0.00           H  
HETATM   31  H   UNK A   0       4.975  -0.797  -2.035  1.00  0.00           H  
HETATM   32  H   UNK A   0       2.400  -1.106  -1.536  1.00  0.00           H  
HETATM   33  H   UNK A   0       2.800  -0.873   0.182  1.00  0.00           H  
HETATM   34  H   UNK A   0       3.362   1.185  -2.004  1.00  0.00           H  
HETATM   35  H   UNK A   0       3.188   3.215   1.394  1.00  0.00           H  
HETATM   36  H   UNK A   0       3.138   3.639  -0.347  1.00  0.00           H  
HETATM   37  H   UNK A   0       1.219   1.836   1.232  1.00  0.00           H  
HETATM   38  H   UNK A   0       0.814   3.174   0.112  1.00  0.00           H  
HETATM   39  H   UNK A   0       1.187   1.859  -1.785  1.00  0.00           H  
HETATM   40  H   UNK A   0       0.756  -0.599  -1.346  1.00  0.00           H  
HETATM   41  H   UNK A   0       0.885  -0.260   0.396  1.00  0.00           H  
ATOM     42 HD11 ILE A   1      -6.106  -2.104  -2.134  1.00  0.00           H  
ATOM     43 HD12 ILE A   1      -6.372  -2.553  -0.433  1.00  0.00           H  
ATOM     44 HG11 ILE A   1      -5.887  -0.221   0.258  1.00  0.00           H  
ATOM     45 HG21 ILE A   1      -4.291  -1.660   1.446  1.00  0.00           H  
ATOM     46 HG22 ILE A   1      -4.629  -2.950   0.266  1.00  0.00           H  
ATOM     47 HG23 ILE A   1      -2.951  -2.439   0.570  1.00  0.00           H  
ATOM     48  H   ILE A   1      -4.951   1.452   2.224  1.00  0.00           H  
HETATM   49  H   UNK A   0       5.696  -3.998   1.232  1.00  0.00           H  
HETATM   50  H   UNK A   0       4.786  -1.788   1.892  1.00  0.00           H  
ATOM     51 HD13 ILE A   1      -7.474  -1.406  -1.234  1.00  0.00           H  
ATOM     52 HG12 ILE A   1      -5.621   0.228  -1.444  1.00  0.00           H  
CONECT    1   23    3    3    4                                       
CONECT    2    4   24   18                                            
CONECT    3    1    1                                                 
CONECT    4    2    1    5   25                                       
CONECT    5    4   21   22   26                                       
CONECT    6    7   27   28   49                                       
CONECT    7    6    8   29   50                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11   32   33                                       
CONECT   11   10   16   12   34                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   35   36   15                                       
CONECT   15   14   37   38   16                                       
CONECT   16   11   15   39   17                                       
CONECT   17   16   18   40   41                                       
CONECT   18   17    2   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   42   43   21   51                                       
CONECT   21    5   20   44   52                                       
CONECT   22    5   45   46   47                                       
CONECT   23    1   48                                                 
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
