COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNK A   0       3.893   1.911   0.162  1.00  0.00           P  
HETATM    2  C   UNK A   0       1.807   0.253   0.368  1.00  0.00           C  
HETATM    3  C   UNK A   0       1.444  -1.181   0.084  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.380  -2.046  -0.451  1.00  0.00           C  
HETATM    5  N   UNK A   0       2.072  -3.304  -0.704  1.00  0.00           N  
HETATM    6  C   UNK A   0       0.871  -3.788  -0.460  1.00  0.00           C  
HETATM    7  C   UNK A   0       0.572  -5.232  -0.767  1.00  0.00           C  
HETATM    8  C   UNK A   0      -0.122  -2.980   0.078  1.00  0.00           C  
HETATM    9  C   UNK A   0       0.170  -1.650   0.361  1.00  0.00           C  
HETATM   10  C   UNK A   0      -0.876  -0.740   0.951  1.00  0.00           C  
ATOM     11  N   ILE A   1      -1.625  -0.088  -0.132  1.00  0.00           N  
ATOM     12  CA  ILE A   1      -2.656   0.810   0.407  1.00  0.00           C  
ATOM     13  CB  ILE A   1      -2.975   1.896  -0.622  1.00  0.00           C  
ATOM     14  C   ILE A   1      -3.903   0.019   0.706  1.00  0.00           C  
ATOM     15  OXT ILE A   1      -4.984   0.636   1.210  1.00  0.00           O  
ATOM     16  O   ILE A   1      -3.931  -1.170   0.492  1.00  0.00           O  
HETATM   17  O   UNK A   0       5.448   1.772  -0.231  1.00  0.00           O  
HETATM   18  O   UNK A   0       3.778   2.362   1.567  1.00  0.00           O  
HETATM   19  O   UNK A   0       3.188   2.987  -0.806  1.00  0.00           O  
HETATM   20  O   UNK A   0       3.168   0.483  -0.004  1.00  0.00           O  
HETATM   21  O   UNK A   0      -1.359  -3.484   0.328  1.00  0.00           O  
ATOM     22  CG2 ILE A   1      -3.603   1.256  -1.862  1.00  0.00           C  
ATOM     23  CG1 ILE A   1      -3.955   2.901  -0.015  1.00  0.00           C  
ATOM     24  CD1 ILE A   1      -4.178   4.054  -0.997  1.00  0.00           C  
HETATM   25  H   UNK A   0       1.157   0.913  -0.206  1.00  0.00           H  
HETATM   26  H   UNK A   0       1.682   0.456   1.432  1.00  0.00           H  
HETATM   27  H   UNK A   0       3.375  -1.688  -0.666  1.00  0.00           H  
HETATM   28  H   UNK A   0       0.799  -5.844   0.106  1.00  0.00           H  
HETATM   29  H   UNK A   0      -0.482  -5.339  -1.022  1.00  0.00           H  
HETATM   30  H   UNK A   0       1.184  -5.559  -1.608  1.00  0.00           H  
HETATM   31  H   UNK A   0      -1.561  -1.324   1.566  1.00  0.00           H  
HETATM   32  H   UNK A   0      -0.393   0.019   1.566  1.00  0.00           H  
ATOM     33  H   ILE A   1      -2.030  -0.771  -0.754  1.00  0.00           H  
ATOM     34  HA  ILE A   1      -2.291   1.273   1.324  1.00  0.00           H  
ATOM     35  HB  ILE A   1      -2.056   2.410  -0.904  1.00  0.00           H  
ATOM     36  HXT ILE A   1      -5.761   0.087   1.385  1.00  0.00           H  
HETATM   37  H   UNK A   0       5.948   2.596  -0.154  1.00  0.00           H  
HETATM   38  H   UNK A   0       3.226   2.755  -1.744  1.00  0.00           H  
HETATM   39  H   UNK A   0      -1.460  -3.856   1.215  1.00  0.00           H  
ATOM     40 HG21 ILE A   1      -4.522   0.742  -1.579  1.00  0.00           H  
ATOM     41 HG22 ILE A   1      -3.830   2.030  -2.595  1.00  0.00           H  
ATOM     42 HG23 ILE A   1      -2.904   0.540  -2.294  1.00  0.00           H  
ATOM     43 HG11 ILE A   1      -4.905   2.407   0.186  1.00  0.00           H  
ATOM     44 HG12 ILE A   1      -3.545   3.292   0.917  1.00  0.00           H  
ATOM     45 HD11 ILE A   1      -3.227   4.549  -1.197  1.00  0.00           H  
ATOM     46 HD12 ILE A   1      -4.588   3.663  -1.928  1.00  0.00           H  
ATOM     47 HD13 ILE A   1      -4.876   4.770  -0.564  1.00  0.00           H  
CONECT    1   18   18   19   20                                       
CONECT    1   17                                                      
CONECT    2    3   20   25   26                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5   27                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    8    7                                       
CONECT    7    6   28   29   30                                       
CONECT    8    9    9    6   21                                       
CONECT    9    3   10    8    8                                       
CONECT   10   11    9   31   32                                       
CONECT   11   12   10   33                                            
CONECT   12   13   11   14   34                                       
CONECT   13   23   22   12   35                                       
CONECT   14   12   16   16   15                                       
CONECT   15   14   36                                                 
CONECT   16   14   14                                                 
CONECT   17    1   37                                                 
CONECT   18    1    1                                                 
CONECT   19    1   38                                                 
CONECT   20    2    1                                                 
CONECT   21    8   39                                                 
CONECT   22   13   40   41   42                                       
CONECT   23   24   13   43   44                                       
CONECT   24   23   45   46   47                                       
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
