COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       8.917  -0.350   0.981  1.00  0.00           C  
HETATM    2  O   UNK A   0       9.472  -0.402  -0.097  1.00  0.00           O  
HETATM    3  C   UNK A   0       9.730  -0.400   2.249  1.00  0.00           C  
ATOM      4  N   VAL A   1       7.576  -0.241   1.044  1.00  0.00           N  
ATOM      5  CA  VAL A   1       6.786  -0.186  -0.189  1.00  0.00           C  
ATOM      6  C   VAL A   1       5.484   0.523   0.079  1.00  0.00           C  
ATOM      7  O   VAL A   1       5.239   0.942   1.191  1.00  0.00           O  
ATOM      8  CB  VAL A   1       6.501  -1.608  -0.676  1.00  0.00           C  
ATOM      9  CG1 VAL A   1       7.824  -2.328  -0.948  1.00  0.00           C  
ATOM     10  CG2 VAL A   1       5.719  -2.368   0.397  1.00  0.00           C  
ATOM     11  N   ASP A   2       4.591   0.693  -0.916  1.00  0.00           N  
ATOM     12  CA  ASP A   2       3.282   1.286  -0.633  1.00  0.00           C  
ATOM     13  C   ASP A   2       2.336   0.213  -0.160  1.00  0.00           C  
ATOM     14  O   ASP A   2       2.718  -0.935  -0.068  1.00  0.00           O  
ATOM     15  CB  ASP A   2       2.728   1.930  -1.905  1.00  0.00           C  
ATOM     16  CG  ASP A   2       3.608   3.085  -2.308  1.00  0.00           C  
ATOM     17  OD1 ASP A   2       4.518   3.429  -1.592  1.00  0.00           O  
ATOM     18  OD2 ASP A   2       3.381   3.730  -3.463  1.00  0.00           O  
ATOM     19  N   VAL A   3       1.066   0.528   0.162  1.00  0.00           N  
ATOM     20  CA  VAL A   3       0.146  -0.515   0.622  1.00  0.00           C  
ATOM     21  C   VAL A   3      -1.273  -0.097   0.333  1.00  0.00           C  
ATOM     22  O   VAL A   3      -1.592   1.070   0.425  1.00  0.00           O  
ATOM     23  CB  VAL A   3       0.321  -0.721   2.128  1.00  0.00           C  
ATOM     24  CG1 VAL A   3      -0.602  -1.847   2.599  1.00  0.00           C  
ATOM     25  CG2 VAL A   3       1.774  -1.094   2.426  1.00  0.00           C  
HETATM   26  C   UNK A   4      -4.316  -0.084   0.705  1.00  0.00           C  
HETATM   27  N   UNK A   4      -2.187  -1.019  -0.027  1.00  0.00           N  
HETATM   28  O   UNK A   4      -3.888  -0.166   1.836  1.00  0.00           O  
HETATM   29  C   UNK A   4      -3.573  -0.739  -0.431  1.00  0.00           C  
HETATM   30  C   UNK A   4      -4.231  -2.092  -0.778  1.00  0.00           C  
HETATM   31  C   UNK A   4      -1.962  -2.475  -0.087  1.00  0.00           C  
HETATM   32  C   UNK A   4      -3.013  -3.000  -1.093  1.00  0.00           C  
HETATM   33  O   UNK A   4      -5.076  -1.964  -1.923  1.00  0.00           O  
HETATM   34  C   UNK A   4      -6.186  -2.864  -1.929  1.00  0.00           C  
HETATM   35  C   UNK A   4      -7.358  -2.223  -2.676  1.00  0.00           C  
HETATM   36  C   UNK A   4      -5.785  -4.164  -2.629  1.00  0.00           C  
ATOM     37  C   ASP A   5      -7.100   0.205   2.231  1.00  0.00           C  
ATOM     38  N   ASP A   5      -5.456   0.592   0.463  1.00  0.00           N  
ATOM     39  O   ASP A   5      -8.109  -0.201   1.304  1.00  0.00           O  
ATOM     40  CA  ASP A   5      -6.178   1.229   1.566  1.00  0.00           C  
ATOM     41  CB  ASP A   5      -7.014   2.392   1.026  1.00  0.00           C  
ATOM     42  CG  ASP A   5      -6.098   3.457   0.482  1.00  0.00           C  
ATOM     43  OD2 ASP A   5      -6.613   4.578  -0.048  1.00  0.00           O  
ATOM     44  OD1 ASP A   5      -4.900   3.303   0.521  1.00  0.00           O  
HETATM   45  H   UNK A   0      10.788  -0.483   2.000  1.00  0.00           H  
HETATM   46  H   UNK A   0       9.562   0.511   2.824  1.00  0.00           H  
HETATM   47  H   UNK A   0       9.427  -1.264   2.841  1.00  0.00           H  
ATOM     48  H   VAL A   1       7.132  -0.199   1.906  1.00  0.00           H  
ATOM     49  HA  VAL A   1       7.344   0.355  -0.953  1.00  0.00           H  
ATOM     50  HB  VAL A   1       5.914  -1.567  -1.593  1.00  0.00           H  
ATOM     51 HG11 VAL A   1       8.411  -2.369  -0.031  1.00  0.00           H  
ATOM     52 HG12 VAL A   1       7.621  -3.342  -1.295  1.00  0.00           H  
ATOM     53 HG13 VAL A   1       8.381  -1.787  -1.713  1.00  0.00           H  
ATOM     54 HG21 VAL A   1       4.777  -1.855   0.591  1.00  0.00           H  
ATOM     55 HG22 VAL A   1       5.516  -3.381   0.050  1.00  0.00           H  
ATOM     56 HG23 VAL A   1       6.306  -2.408   1.315  1.00  0.00           H  
ATOM     57  H   ASP A   2       4.816   0.422  -1.820  1.00  0.00           H  
ATOM     58  HA  ASP A   2       3.387   2.045   0.142  1.00  0.00           H  
ATOM     59  HB1 ASP A   2       2.708   1.191  -2.707  1.00  0.00           H  
ATOM     60  HB2 ASP A   2       1.717   2.291  -1.719  1.00  0.00           H  
ATOM     61  HD2 ASP A   2       3.972   4.465  -3.679  1.00  0.00           H  
ATOM     62  H   VAL A   3       0.761   1.446   0.089  1.00  0.00           H  
ATOM     63  HA  VAL A   3       0.363  -1.447   0.100  1.00  0.00           H  
ATOM     64  HB  VAL A   3       0.067   0.200   2.652  1.00  0.00           H  
ATOM     65 HG11 VAL A   3      -0.301  -2.784   2.129  1.00  0.00           H  
ATOM     66 HG12 VAL A   3      -0.531  -1.946   3.682  1.00  0.00           H  
ATOM     67 HG13 VAL A   3      -1.630  -1.615   2.321  1.00  0.00           H  
ATOM     68 HG21 VAL A   3       2.431  -0.292   2.091  1.00  0.00           H  
ATOM     69 HG22 VAL A   3       1.899  -1.241   3.499  1.00  0.00           H  
ATOM     70 HG23 VAL A   3       2.028  -2.015   1.901  1.00  0.00           H  
HETATM   71  H   UNK A   4      -3.580  -0.087  -1.304  1.00  0.00           H  
HETATM   72  H   UNK A   4      -4.790  -2.478   0.074  1.00  0.00           H  
HETATM   73  H   UNK A   4      -0.954  -2.688  -0.444  1.00  0.00           H  
HETATM   74  H   UNK A   4      -2.121  -2.924   0.894  1.00  0.00           H  
HETATM   75  H   UNK A   4      -3.247  -4.048  -0.904  1.00  0.00           H  
HETATM   76  H   UNK A   4      -2.673  -2.856  -2.118  1.00  0.00           H  
HETATM   77  H   UNK A   4      -6.484  -3.080  -0.904  1.00  0.00           H  
HETATM   78  H   UNK A   4      -7.060  -2.006  -3.702  1.00  0.00           H  
HETATM   79  H   UNK A   4      -8.204  -2.909  -2.681  1.00  0.00           H  
HETATM   80  H   UNK A   4      -7.643  -1.297  -2.178  1.00  0.00           H  
HETATM   81  H   UNK A   4      -6.631  -4.850  -2.634  1.00  0.00           H  
HETATM   82  H   UNK A   4      -5.487  -3.947  -3.655  1.00  0.00           H  
HETATM   83  H   UNK A   4      -4.950  -4.620  -2.097  1.00  0.00           H  
ATOM     84  H1  ASP A   5      -7.571   0.653   3.106  1.00  0.00           H  
ATOM     85  H2  ASP A   5      -6.517  -0.664   2.537  1.00  0.00           H  
ATOM     86  H   ASP A   5      -5.798   0.658  -0.443  1.00  0.00           H  
ATOM     87  H   ASP A   5      -8.731  -0.851   1.658  1.00  0.00           H  
ATOM     88  HA  ASP A   5      -5.464   1.605   2.299  1.00  0.00           H  
ATOM     89  HB1 ASP A   5      -7.666   2.032   0.230  1.00  0.00           H  
ATOM     90  HB2 ASP A   5      -7.619   2.809   1.831  1.00  0.00           H  
ATOM     91  HD2 ASP A   5      -5.986   5.233  -0.384  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   45   46   47                                       
CONECT    4    5   48    1                                            
CONECT    5    4    6    8   49                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   10   50                                       
CONECT    9    8   51   52   53                                       
CONECT   10    8   54   55   56                                       
CONECT   11   12   57    6                                            
CONECT   12   11   13   15   58                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   59   60                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   61                                                 
CONECT   19   20   62   13                                            
CONECT   20   19   21   23   63                                       
CONECT   21   20   22   22   27                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   25   64                                       
CONECT   24   23   65   66   67                                       
CONECT   25   23   68   69   70                                       
CONECT   26   28   28   29   38                                       
CONECT   27   31   29   21                                            
CONECT   28   26   26                                                 
CONECT   29   27   26   30   71                                       
CONECT   30   29   32   72   33                                       
CONECT   31   27   32   73   74                                       
CONECT   32   30   31   75   76                                       
CONECT   33   30   34                                                 
CONECT   34   33   36   77   35                                       
CONECT   35   34   78   79   80                                       
CONECT   36   34   81   82   83                                       
CONECT   37   39   40   84   85                                       
CONECT   38   40   86   26                                            
CONECT   39   37   87                                                 
CONECT   40   37   38   41   88                                       
CONECT   41   40   42   89   90                                       
CONECT   42   41   44   44   43                                       
CONECT   43   42   91                                                 
CONECT   44   42   42                                                 
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
