COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   2       1.456  -2.615  -1.403  1.00  0.00           N  
HETATM    2  C   UNK A   2       2.222  -3.751  -1.919  1.00  0.00           C  
HETATM    3  C   UNK A   0       2.134  -1.557  -0.650  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.818  -2.164   0.577  1.00  0.00           C  
HETATM    5  C   UNK A   0       1.757  -2.696   1.542  1.00  0.00           C  
HETATM    6  C   UNK A   0       1.276  -4.068   1.064  1.00  0.00           C  
HETATM    7  C   UNK A   0       2.360  -2.827   2.942  1.00  0.00           C  
HETATM    8  C   UNK A   0       3.167  -0.899  -1.527  1.00  0.00           C  
HETATM    9  O   UNK A   0       3.481  -1.397  -2.588  1.00  0.00           O  
ATOM     10  N   ILE A   1       3.744   0.264  -1.114  1.00  0.00           N  
ATOM     11  CA  ILE A   1       3.298   0.789   0.193  1.00  0.00           C  
ATOM     12  C   ILE A   1       2.292   1.886  -0.041  1.00  0.00           C  
ATOM     13  O   ILE A   1       1.711   1.977  -1.102  1.00  0.00           O  
ATOM     14  CB  ILE A   1       4.499   1.350   0.957  1.00  0.00           C  
ATOM     15  CG2 ILE A   1       5.125   2.493   0.155  1.00  0.00           C  
ATOM     16  CG1 ILE A   1       5.535   0.243   1.162  1.00  0.00           C  
ATOM     17  CD1 ILE A   1       6.680   0.770   2.030  1.00  0.00           C  
HETATM   18  N   UNK A   2       2.046   2.777   0.967  1.00  0.00           N  
HETATM   19  C   UNK A   2       1.038   3.816   0.652  1.00  0.00           C  
HETATM   20  C   UNK A   2      -0.335   3.209   0.791  1.00  0.00           C  
HETATM   21  O   UNK A   2      -0.511   2.246   1.506  1.00  0.00           O  
HETATM   22  C   UNK A   2       1.239   4.308  -0.783  1.00  0.00           C  
HETATM   23  O   UNK A   2       2.591   4.740  -0.954  1.00  0.00           O  
HETATM   24  N   UNK A   2      -1.374   3.757   0.103  1.00  0.00           N  
HETATM   25  C   UNK A   2      -2.690   3.107   0.275  1.00  0.00           C  
HETATM   26  C   UNK A   2      -3.784   4.174   0.342  1.00  0.00           C  
HETATM   27  C   UNK A   2      -5.128   3.507   0.645  1.00  0.00           C  
HETATM   28  O   UNK A   2      -3.862   4.856  -0.911  1.00  0.00           O  
HETATM   29  C   UNK A   2      -2.939   2.200  -0.903  1.00  0.00           C  
HETATM   30  O   UNK A   2      -2.717   2.580  -2.033  1.00  0.00           O  
HETATM   31  O   UNK A   2      -4.281  -1.914  -0.899  1.00  0.00           O  
HETATM   32  O   UNK A   2      -2.317  -1.975  -1.909  1.00  0.00           O  
HETATM   33  O   UNK A   2      -0.369  -1.492  -1.979  1.00  0.00           O  
HETATM   34  N   UNK A   2      -3.420   0.941  -0.673  1.00  0.00           N  
HETATM   35  C   UNK A   2      -3.625   0.120  -1.889  1.00  0.00           C  
HETATM   36  C   UNK A   2      -3.432  -1.331  -1.530  1.00  0.00           C  
HETATM   37  C   UNK A   2      -2.208  -3.374  -1.538  1.00  0.00           C  
HETATM   38  C   UNK A   2      -2.895  -3.598  -0.189  1.00  0.00           C  
HETATM   39  C   UNK A   2      -2.359  -2.590   0.830  1.00  0.00           C  
HETATM   40  C   UNK A   2      -2.951  -2.894   2.208  1.00  0.00           C  
HETATM   41  C   UNK A   2      -2.415  -1.886   3.226  1.00  0.00           C  
HETATM   42  C   UNK A   2      -3.007  -2.189   4.604  1.00  0.00           C  
HETATM   43  C   UNK A   2      -2.471  -1.181   5.623  1.00  0.00           C  
HETATM   44  C   UNK A   2      -0.735  -3.760  -1.440  1.00  0.00           C  
HETATM   45  C   UNK A   2      -0.407  -4.795  -2.519  1.00  0.00           C  
HETATM   46  C   UNK A   2       0.129  -2.540  -1.627  1.00  0.00           C  
HETATM   47  H   UNK A   2       3.283  -3.589  -1.732  1.00  0.00           H  
HETATM   48  H   UNK A   2       1.900  -4.664  -1.418  1.00  0.00           H  
HETATM   49  H   UNK A   2       2.053  -3.847  -2.992  1.00  0.00           H  
HETATM   50  H   UNK A   0       1.404  -0.815  -0.328  1.00  0.00           H  
HETATM   51  H   UNK A   0       3.467  -2.981   0.263  1.00  0.00           H  
HETATM   52  H   UNK A   0       3.413  -1.399   1.077  1.00  0.00           H  
HETATM   53  H   UNK A   0       0.914  -2.006   1.572  1.00  0.00           H  
HETATM   54  H   UNK A   0       0.488  -4.427   1.727  1.00  0.00           H  
HETATM   55  H   UNK A   0       0.886  -3.983   0.049  1.00  0.00           H  
HETATM   56  H   UNK A   0       2.109  -4.770   1.075  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.703  -1.850   3.282  1.00  0.00           H  
HETATM   58  H   UNK A   0       1.604  -3.206   3.629  1.00  0.00           H  
HETATM   59  H   UNK A   0       3.203  -3.518   2.911  1.00  0.00           H  
ATOM     60  H   ILE A   1       4.411   0.722  -1.648  1.00  0.00           H  
ATOM     61  HA  ILE A   1       2.837  -0.013   0.771  1.00  0.00           H  
ATOM     62  HB  ILE A   1       4.170   1.724   1.927  1.00  0.00           H  
ATOM     63 HG21 ILE A   1       5.454   2.119  -0.814  1.00  0.00           H  
ATOM     64 HG22 ILE A   1       4.387   3.281   0.009  1.00  0.00           H  
ATOM     65 HG23 ILE A   1       5.981   2.892   0.700  1.00  0.00           H  
ATOM     66 HG11 ILE A   1       5.066  -0.607   1.657  1.00  0.00           H  
ATOM     67 HG12 ILE A   1       5.928  -0.071   0.194  1.00  0.00           H  
ATOM     68 HD11 ILE A   1       7.418  -0.019   2.175  1.00  0.00           H  
ATOM     69 HD12 ILE A   1       7.149   1.620   1.535  1.00  0.00           H  
ATOM     70 HD13 ILE A   1       6.287   1.084   2.997  1.00  0.00           H  
HETATM   71  H   UNK A   2       2.498   2.732   1.825  1.00  0.00           H  
HETATM   72  H   UNK A   2       1.141   4.650   1.346  1.00  0.00           H  
HETATM   73  H   UNK A   2       1.026   3.497  -1.479  1.00  0.00           H  
HETATM   74  H   UNK A   2       0.564   5.141  -0.979  1.00  0.00           H  
HETATM   75  H   UNK A   2       2.790   5.065  -1.842  1.00  0.00           H  
HETATM   76  H   UNK A   2      -1.258   4.532  -0.468  1.00  0.00           H  
HETATM   77  H   UNK A   2      -2.691   2.523   1.196  1.00  0.00           H  
HETATM   78  H   UNK A   2      -3.548   4.888   1.131  1.00  0.00           H  
HETATM   79  H   UNK A   2      -5.365   2.793  -0.144  1.00  0.00           H  
HETATM   80  H   UNK A   2      -5.068   2.987   1.601  1.00  0.00           H  
HETATM   81  H   UNK A   2      -5.908   4.267   0.693  1.00  0.00           H  
HETATM   82  H   UNK A   2      -4.537   5.548  -0.941  1.00  0.00           H  
HETATM   83  H   UNK A   2      -3.611   0.610   0.219  1.00  0.00           H  
HETATM   84  H   UNK A   2      -4.637   0.271  -2.266  1.00  0.00           H  
HETATM   85  H   UNK A   2      -2.903   0.409  -2.653  1.00  0.00           H  
HETATM   86  H   UNK A   2      -2.691  -3.990  -2.297  1.00  0.00           H  
HETATM   87  H   UNK A   2      -3.970  -3.464  -0.302  1.00  0.00           H  
HETATM   88  H   UNK A   2      -2.690  -4.611   0.159  1.00  0.00           H  
HETATM   89  H   UNK A   2      -1.272  -2.664   0.877  1.00  0.00           H  
HETATM   90  H   UNK A   2      -2.642  -1.582   0.527  1.00  0.00           H  
HETATM   91  H   UNK A   2      -4.037  -2.820   2.160  1.00  0.00           H  
HETATM   92  H   UNK A   2      -2.668  -3.902   2.511  1.00  0.00           H  
HETATM   93  H   UNK A   2      -1.329  -1.959   3.273  1.00  0.00           H  
HETATM   94  H   UNK A   2      -2.698  -0.878   2.923  1.00  0.00           H  
HETATM   95  H   UNK A   2      -4.094  -2.116   4.557  1.00  0.00           H  
HETATM   96  H   UNK A   2      -2.724  -3.197   4.907  1.00  0.00           H  
HETATM   97  H   UNK A   2      -1.385  -1.255   5.670  1.00  0.00           H  
HETATM   98  H   UNK A   2      -2.754  -0.173   5.320  1.00  0.00           H  
HETATM   99  H   UNK A   2      -2.893  -1.398   6.604  1.00  0.00           H  
HETATM  100  H   UNK A   2      -0.535  -4.186  -0.457  1.00  0.00           H  
HETATM  101  H   UNK A   2      -0.489  -4.332  -3.503  1.00  0.00           H  
HETATM  102  H   UNK A   2       0.609  -5.161  -2.374  1.00  0.00           H  
HETATM  103  H   UNK A   2      -1.107  -5.627  -2.449  1.00  0.00           H  
CONECT    1    2    3   46                                            
CONECT    2    1   47   48   49                                       
CONECT    3    1    4    8   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    4    6    7   53                                       
CONECT    6    5   54   55   56                                       
CONECT    7    5   57   58   59                                       
CONECT    8    3    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10   11   60    8                                            
CONECT   11   10   12   14   61                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   62                                       
CONECT   15   14   63   64   65                                       
CONECT   16   14   17   66   67                                       
CONECT   17   16   68   69   70                                       
CONECT   18   19   71   12                                            
CONECT   19   18   20   22   72                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   73   74                                       
CONECT   23   22   75                                                 
CONECT   24   25   76   20                                            
CONECT   25   24   26   29   77                                       
CONECT   26   25   27   28   78                                       
CONECT   27   26   79   80   81                                       
CONECT   28   26   82                                                 
CONECT   29   25   30   30   34                                       
CONECT   30   29   29                                                 
CONECT   31   36   36                                                 
CONECT   32   36   37                                                 
CONECT   33   46   46                                                 
CONECT   34   35   83   29                                            
CONECT   35   34   36   84   85                                       
CONECT   36   31   31   35   32                                       
CONECT   37   32   44   38   86                                       
CONECT   38   37   39   87   88                                       
CONECT   39   38   40   89   90                                       
CONECT   40   39   41   91   92                                       
CONECT   41   40   42   93   94                                       
CONECT   42   41   43   95   96                                       
CONECT   43   42   97   98   99                                       
CONECT   44   46   37   45  100                                       
CONECT   45   44  101  102  103                                       
CONECT   46   33   33   44    1                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
