COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  C   ILE A   1      -3.901  -1.082  -0.102  1.00  0.00           C  
ATOM      2  N   ILE A   1      -1.930   0.311  -0.354  1.00  0.00           N  
ATOM      3  O   ILE A   1      -3.345  -1.835  -0.867  1.00  0.00           O  
ATOM      4  OXT ILE A   1      -5.111  -1.395   0.385  1.00  0.00           O  
HETATM    5  O   UNK A   0       4.803  -2.274  -0.522  1.00  0.00           O  
ATOM      6  CA  ILE A   1      -3.231   0.203   0.310  1.00  0.00           C  
ATOM      7  CB  ILE A   1      -4.110   1.388  -0.096  1.00  0.00           C  
HETATM    8  C   UNK A   0       5.361   4.071   0.554  1.00  0.00           C  
HETATM    9  C   UNK A   0       4.500   3.010  -0.133  1.00  0.00           C  
HETATM   10  C   UNK A   0       5.365   1.843  -0.534  1.00  0.00           C  
HETATM   11  C   UNK A   0       5.032   0.627  -0.177  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.702   0.374   0.484  1.00  0.00           C  
HETATM   13  C   UNK A   0       2.950  -0.716  -0.283  1.00  0.00           C  
HETATM   14  C   UNK A   0       3.678  -2.037  -0.152  1.00  0.00           C  
HETATM   15  C   UNK A   0       2.732  -3.009   0.531  1.00  0.00           C  
HETATM   16  C   UNK A   0       1.320  -2.447   0.233  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.547  -0.916   0.326  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.494  -0.166  -0.493  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.845  -0.277   0.190  1.00  0.00           C  
HETATM   20  O   UNK A   0      -0.947  -0.895   1.229  1.00  0.00           O  
ATOM     21  CD1 ILE A   1      -6.246   2.594   0.379  1.00  0.00           C  
ATOM     22  CG1 ILE A   1      -5.421   1.344   0.691  1.00  0.00           C  
ATOM     23  CG2 ILE A   1      -4.411   1.310  -1.594  1.00  0.00           C  
ATOM     24  H   ILE A   1      -1.848   0.805  -1.185  1.00  0.00           H  
ATOM     25  HXT ILE A   1      -5.501  -2.230   0.092  1.00  0.00           H  
ATOM     26  HA  ILE A   1      -3.090   0.209   1.390  1.00  0.00           H  
ATOM     27  HB  ILE A   1      -3.587   2.320   0.121  1.00  0.00           H  
HETATM   28  H   UNK A   0       5.827   3.643   1.441  1.00  0.00           H  
HETATM   29  H   UNK A   0       6.135   4.412  -0.134  1.00  0.00           H  
HETATM   30  H   UNK A   0       4.736   4.915   0.844  1.00  0.00           H  
HETATM   31  H   UNK A   0       3.726   2.669   0.555  1.00  0.00           H  
HETATM   32  H   UNK A   0       4.034   3.438  -1.020  1.00  0.00           H  
HETATM   33  H   UNK A   0       6.261   2.009  -1.115  1.00  0.00           H  
HETATM   34  H   UNK A   0       5.710  -0.193  -0.357  1.00  0.00           H  
HETATM   35  H   UNK A   0       3.863   0.050   1.512  1.00  0.00           H  
HETATM   36  H   UNK A   0       3.114   1.292   0.481  1.00  0.00           H  
HETATM   37  H   UNK A   0       2.865  -0.440  -1.334  1.00  0.00           H  
HETATM   38  H   UNK A   0       2.842  -4.007   0.108  1.00  0.00           H  
HETATM   39  H   UNK A   0       2.917  -3.029   1.605  1.00  0.00           H  
HETATM   40  H   UNK A   0       0.993  -2.730  -0.768  1.00  0.00           H  
HETATM   41  H   UNK A   0       0.603  -2.782   0.982  1.00  0.00           H  
HETATM   42  H   UNK A   0       1.530  -0.589   1.365  1.00  0.00           H  
HETATM   43  H   UNK A   0       0.775   0.884  -0.572  1.00  0.00           H  
HETATM   44  H   UNK A   0       0.430  -0.602  -1.490  1.00  0.00           H  
ATOM     45 HD11 ILE A   1      -5.681   3.483   0.663  1.00  0.00           H  
ATOM     46 HD12 ILE A   1      -6.464   2.628  -0.689  1.00  0.00           H  
ATOM     47 HD13 ILE A   1      -7.180   2.563   0.939  1.00  0.00           H  
ATOM     48 HG11 ILE A   1      -5.986   0.456   0.407  1.00  0.00           H  
ATOM     49 HG12 ILE A   1      -5.203   1.310   1.759  1.00  0.00           H  
ATOM     50 HG21 ILE A   1      -5.037   2.155  -1.883  1.00  0.00           H  
ATOM     51 HG22 ILE A   1      -3.477   1.342  -2.155  1.00  0.00           H  
ATOM     52 HG23 ILE A   1      -4.935   0.379  -1.811  1.00  0.00           H  
CONECT    1    3    3    4    6                                       
CONECT    2    6   19   24                                            
CONECT    3    1    1                                                 
CONECT    4    1   25                                                 
CONECT    5   14   14                                                 
CONECT    6    1    2    7   26                                       
CONECT    7    6   23   22   27                                       
CONECT    8    9   28   29   30                                       
CONECT    9    8   10   31   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   17   14   37                                       
CONECT   14    5    5   13   15                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   13   16   18   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19    2   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   45   46   47                                       
CONECT   22    7   21   48   49                                       
CONECT   23    7   50   51   52                                       
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
