COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       6.381   0.150   0.738  1.00  0.00           C  
HETATM    2  O   UNK A   0       5.739  -0.454   1.572  1.00  0.00           O  
HETATM    3  C   UNK A   0       7.651   0.859   1.133  1.00  0.00           C  
ATOM      4  N   ILE A   1       5.961   0.182  -0.542  1.00  0.00           N  
ATOM      5  CA  ILE A   1       4.730  -0.512  -0.926  1.00  0.00           C  
ATOM      6  C   ILE A   1       3.570   0.054  -0.149  1.00  0.00           C  
ATOM      7  O   ILE A   1       3.770   0.667   0.879  1.00  0.00           O  
ATOM      8  CB  ILE A   1       4.869  -2.005  -0.620  1.00  0.00           C  
ATOM      9  CG1 ILE A   1       6.047  -2.580  -1.410  1.00  0.00           C  
ATOM     10  CG2 ILE A   1       3.583  -2.730  -1.022  1.00  0.00           C  
ATOM     11  CD1 ILE A   1       6.264  -4.041  -1.010  1.00  0.00           C  
ATOM     12  N   GLU A   2       2.310  -0.121  -0.595  1.00  0.00           N  
ATOM     13  CA  GLU A   2       1.182   0.430   0.161  1.00  0.00           C  
ATOM     14  C   GLU A   2      -0.062  -0.365  -0.142  1.00  0.00           C  
ATOM     15  O   GLU A   2      -0.011  -1.299  -0.914  1.00  0.00           O  
ATOM     16  CB  GLU A   2       0.965   1.890  -0.238  1.00  0.00           C  
ATOM     17  CG  GLU A   2       2.179   2.720   0.184  1.00  0.00           C  
ATOM     18  CD  GLU A   2       1.965   4.159  -0.210  1.00  0.00           C  
ATOM     19  OE1 GLU A   2       0.946   4.487  -0.770  1.00  0.00           O  
ATOM     20  OE2 GLU A   2       2.906   5.077   0.062  1.00  0.00           O  
ATOM     21  N   THR A   3      -1.230  -0.037   0.444  1.00  0.00           N  
ATOM     22  CA  THR A   3      -2.440  -0.810   0.148  1.00  0.00           C  
ATOM     23  C   THR A   3      -3.655   0.049   0.388  1.00  0.00           C  
ATOM     24  O   THR A   3      -3.524   1.193   0.768  1.00  0.00           O  
ATOM     25  CB  THR A   3      -2.496  -2.038   1.059  1.00  0.00           C  
ATOM     26  OG1 THR A   3      -2.638  -1.618   2.418  1.00  0.00           O  
ATOM     27  CG2 THR A   3      -1.204  -2.845   0.907  1.00  0.00           C  
ATOM     28  C   ASP A   4      -6.453   0.318   1.892  1.00  0.00           C  
ATOM     29  N   ASP A   4      -4.887  -0.455   0.180  1.00  0.00           N  
ATOM     30  O   ASP A   4      -6.858  -1.011   2.224  1.00  0.00           O  
ATOM     31  CA  ASP A   4      -6.069   0.380   0.413  1.00  0.00           C  
ATOM     32  CB  ASP A   4      -7.232  -0.134  -0.438  1.00  0.00           C  
ATOM     33  CG  ASP A   4      -6.902   0.041  -1.898  1.00  0.00           C  
ATOM     34  OD2 ASP A   4      -7.782  -0.343  -2.836  1.00  0.00           O  
ATOM     35  OD1 ASP A   4      -5.845   0.526  -2.225  1.00  0.00           O  
HETATM   36  H   UNK A   0       7.829   0.719   2.199  1.00  0.00           H  
HETATM   37  H   UNK A   0       8.487   0.448   0.567  1.00  0.00           H  
HETATM   38  H   UNK A   0       7.555   1.923   0.918  1.00  0.00           H  
ATOM     39  H   ILE A   1       6.474   0.665  -1.209  1.00  0.00           H  
ATOM     40  HA  ILE A   1       4.553  -0.375  -1.993  1.00  0.00           H  
ATOM     41  HB  ILE A   1       5.045  -2.142   0.447  1.00  0.00           H  
ATOM     42 HG11 ILE A   1       5.831  -2.523  -2.477  1.00  0.00           H  
ATOM     43 HG12 ILE A   1       6.946  -2.005  -1.190  1.00  0.00           H  
ATOM     44 HG21 ILE A   1       3.407  -2.593  -2.089  1.00  0.00           H  
ATOM     45 HG22 ILE A   1       3.682  -3.794  -0.804  1.00  0.00           H  
ATOM     46 HG23 ILE A   1       2.744  -2.321  -0.460  1.00  0.00           H  
ATOM     47 HD11 ILE A   1       5.364  -4.615  -1.230  1.00  0.00           H  
ATOM     48 HD12 ILE A   1       7.103  -4.450  -1.573  1.00  0.00           H  
ATOM     49 HD13 ILE A   1       6.480  -4.097   0.057  1.00  0.00           H  
ATOM     50  H   GLU A   2       2.150  -0.611  -1.416  1.00  0.00           H  
ATOM     51  HA  GLU A   2       1.398   0.373   1.228  1.00  0.00           H  
ATOM     52  HB1 GLU A   2       0.837   1.956  -1.319  1.00  0.00           H  
ATOM     53  HB2 GLU A   2       0.073   2.274   0.257  1.00  0.00           H  
ATOM     54  HG1 GLU A   2       2.306   2.655   1.264  1.00  0.00           H  
ATOM     55  HG2 GLU A   2       3.071   2.337  -0.312  1.00  0.00           H  
ATOM     56  HE2 GLU A   2       2.724   5.987  -0.209  1.00  0.00           H  
ATOM     57  H   THR A   3      -1.271   0.710   1.061  1.00  0.00           H  
ATOM     58  HA  THR A   3      -2.421  -1.130  -0.893  1.00  0.00           H  
ATOM     59  HB  THR A   3      -3.347  -2.659   0.780  1.00  0.00           H  
ATOM     60  HG1 THR A   3      -2.680  -2.346   3.052  1.00  0.00           H  
ATOM     61 HG21 THR A   3      -0.353  -2.224   1.186  1.00  0.00           H  
ATOM     62 HG22 THR A   3      -1.244  -3.720   1.556  1.00  0.00           H  
ATOM     63 HG23 THR A   3      -1.096  -3.165  -0.129  1.00  0.00           H  
ATOM     64  H1  ASP A   4      -7.276   1.007   2.083  1.00  0.00           H  
ATOM     65  H2  ASP A   4      -5.595   0.600   2.503  1.00  0.00           H  
ATOM     66  H   ASP A   4      -4.992  -1.370  -0.124  1.00  0.00           H  
ATOM     67  H   ASP A   4      -7.117  -1.124   3.149  1.00  0.00           H  
ATOM     68  HA  ASP A   4      -5.845   1.411   0.138  1.00  0.00           H  
ATOM     69  HB1 ASP A   4      -7.398  -1.190  -0.227  1.00  0.00           H  
ATOM     70  HB2 ASP A   4      -8.134   0.430  -0.200  1.00  0.00           H  
ATOM     71  HD2 ASP A   4      -7.526  -0.211  -3.759  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   36   37   38                                       
CONECT    4    5   39    1                                            
CONECT    5    4    6    8   40                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   10   41                                       
CONECT    9    8   11   42   43                                       
CONECT   10    8   44   45   46                                       
CONECT   11    9   47   48   49                                       
CONECT   12   13   50    6                                            
CONECT   13   12   14   16   51                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   52   53                                       
CONECT   17   16   18   54   55                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   56                                                 
CONECT   21   22   57   14                                            
CONECT   22   21   23   25   58                                       
CONECT   23   22   24   24   29                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   27   59                                       
CONECT   26   25   60                                                 
CONECT   27   25   61   62   63                                       
CONECT   28   30   31   64   65                                       
CONECT   29   31   66   23                                            
CONECT   30   28   67                                                 
CONECT   31   28   29   32   68                                       
CONECT   32   31   33   69   70                                       
CONECT   33   32   35   35   34                                       
CONECT   34   33   71                                                 
CONECT   35   33   33                                                 
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
