COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CG  ASP A   1      17.579  -0.612  -1.988  1.00  0.00           C  
ATOM      2  CB  ASP A   1      17.922  -1.076  -0.596  1.00  0.00           C  
ATOM      3  CA  ASP A   1      16.686  -1.703   0.052  1.00  0.00           C  
ATOM      4  C   ASP A   1      14.356  -1.034   0.294  1.00  0.00           C  
ATOM      5  CA  ASP A   1      13.295   0.021   0.476  1.00  0.00           C  
ATOM      6  CB  ASP A   1      13.539   0.769   1.787  1.00  0.00           C  
ATOM      7  CG  ASP A   1      13.399  -0.186   2.944  1.00  0.00           C  
ATOM      8  C   ASP A   1      10.885   0.068   0.115  1.00  0.00           C  
ATOM      9  CA  ASP A   1       9.546  -0.621   0.051  1.00  0.00           C  
ATOM     10  CB  ASP A   1       9.623  -1.797  -0.924  1.00  0.00           C  
ATOM     11  CG  ASP A   1       9.925  -1.284  -2.308  1.00  0.00           C  
HETATM   12  C   UNK A   0       7.243   0.171  -0.041  1.00  0.00           C  
HETATM   13  C   UNK A   0       6.182   1.082  -0.602  1.00  0.00           C  
HETATM   14  C   UNK A   0       4.819   0.691  -0.027  1.00  0.00           C  
HETATM   15  C   UNK A   0       3.741   1.615  -0.597  1.00  0.00           C  
HETATM   16  C   UNK A   0       2.378   1.224  -0.022  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.300   2.149  -0.592  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.063   1.758  -0.016  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.141   2.682  -0.586  1.00  0.00           C  
HETATM   20  C   UNK A   0      -2.504   2.292  -0.011  1.00  0.00           C  
HETATM   21  C   UNK A   0      -3.582   3.216  -0.581  1.00  0.00           C  
HETATM   22  C   UNK A   0      -4.945   2.825  -0.006  1.00  0.00           C  
HETATM   23  C   UNK A   0      -6.023   3.750  -0.576  1.00  0.00           C  
HETATM   24  C   UNK A   0      -7.802   3.991   1.216  1.00  0.00           C  
HETATM   25  C   UNK A   0      -8.580   5.241   0.892  1.00  0.00           C  
HETATM   26  C   UNK A   0      -8.091   2.465  -0.661  1.00  0.00           C  
HETATM   27  C   UNK A   0      -9.434   2.080  -0.094  1.00  0.00           C  
HETATM   28  C   UNK A   0     -10.090   1.037  -1.001  1.00  0.00           C  
HETATM   29  C   UNK A   0     -11.432   0.652  -0.434  1.00  0.00           C  
HETATM   30  C   UNK A   0     -13.432  -0.613  -0.549  1.00  0.00           C  
HETATM   31  C   UNK A   0     -15.130  -0.568   0.894  1.00  0.00           C  
HETATM   32  C   UNK A   0     -15.653  -1.489   0.055  1.00  0.00           C  
HETATM   33  C   UNK A   0     -16.960  -2.155   0.203  1.00  0.00           C  
HETATM   34  C   UNK A   0     -17.784  -1.844   1.290  1.00  0.00           C  
HETATM   35  C   UNK A   0     -18.994  -2.461   1.427  1.00  0.00           C  
HETATM   36  C   UNK A   0     -19.410  -3.405   0.481  1.00  0.00           C  
HETATM   37  C   UNK A   0     -20.716  -4.070   0.629  1.00  0.00           C  
HETATM   38  C   UNK A   0     -18.585  -3.715  -0.606  1.00  0.00           C  
HETATM   39  C   UNK A   0     -17.377  -3.095  -0.746  1.00  0.00           C  
ATOM     40  C   ASP A   1      17.060  -2.277   1.395  1.00  0.00           C  
ATOM     41  N   ASP A   1      15.654  -0.678   0.229  1.00  0.00           N  
ATOM     42  N   ASP A   1      11.976  -0.616   0.515  1.00  0.00           N  
ATOM     43  N   ASP A   1       8.530   0.329  -0.409  1.00  0.00           N  
HETATM   44  N   UNK A   0      -7.327   3.375  -0.025  1.00  0.00           N  
HETATM   45  N   UNK A   0     -12.196  -0.259  -1.070  1.00  0.00           N  
HETATM   46  N   UNK A   0     -13.946  -0.123   0.539  1.00  0.00           N  
ATOM     47  OD1 ASP A   1      16.460  -0.767  -2.418  1.00  0.00           O  
ATOM     48  OD2 ASP A   1      18.514  -0.022  -2.749  1.00  0.00           O  
ATOM     49  O   ASP A   1      14.042  -2.202   0.206  1.00  0.00           O  
ATOM     50  OD1 ASP A   1      13.205  -1.360   2.738  1.00  0.00           O  
ATOM     51  OD2 ASP A   1      13.491   0.268   4.204  1.00  0.00           O  
ATOM     52  O   ASP A   1      10.982   1.236  -0.194  1.00  0.00           O  
ATOM     53  OD1 ASP A   1      10.139  -0.107  -2.482  1.00  0.00           O  
ATOM     54  OD2 ASP A   1       9.955  -2.133  -3.347  1.00  0.00           O  
HETATM   55  O   UNK A   0       6.940  -0.704   0.742  1.00  0.00           O  
HETATM   56  O   UNK A   0      -8.722   5.582  -0.258  1.00  0.00           O  
HETATM   57  O   UNK A   0      -9.113   5.975   1.881  1.00  0.00           O  
HETATM   58  O   UNK A   0      -7.698   1.955  -1.689  1.00  0.00           O  
HETATM   59  O   UNK A   0     -11.825   1.162   0.593  1.00  0.00           O  
HETATM   60  O   UNK A   0     -21.432  -3.800   1.572  1.00  0.00           O  
HETATM   61  O   UNK A   0     -21.116  -4.979  -0.283  1.00  0.00           O  
ATOM     62  O   ASP A   1      16.519  -1.872   2.396  1.00  0.00           O  
ATOM     63  OXT ASP A   1      17.993  -3.239   1.478  1.00  0.00           O  
HETATM   64  S   UNK A   0     -14.498  -1.750  -1.250  1.00  0.00           S  
ATOM     65  HB1 ASP A   1      18.721  -1.816  -0.647  1.00  0.00           H  
ATOM     66  HB2 ASP A   1      18.252  -0.225  -0.001  1.00  0.00           H  
ATOM     67  HA  ASP A   1      16.303  -2.498  -0.589  1.00  0.00           H  
ATOM     68  HA  ASP A   1      13.334   0.723  -0.357  1.00  0.00           H  
ATOM     69  HB1 ASP A   1      14.544   1.191   1.783  1.00  0.00           H  
ATOM     70  HB2 ASP A   1      12.809   1.572   1.889  1.00  0.00           H  
ATOM     71  HA  ASP A   1       9.278  -0.987   1.043  1.00  0.00           H  
ATOM     72  HB1 ASP A   1      10.413  -2.479  -0.609  1.00  0.00           H  
ATOM     73  HB2 ASP A   1       8.669  -2.325  -0.932  1.00  0.00           H  
HETATM   74  H   UNK A   0       6.408   2.113  -0.332  1.00  0.00           H  
HETATM   75  H   UNK A   0       6.159   0.987  -1.688  1.00  0.00           H  
HETATM   76  H   UNK A   0       4.593  -0.341  -0.297  1.00  0.00           H  
HETATM   77  H   UNK A   0       4.842   0.786   1.059  1.00  0.00           H  
HETATM   78  H   UNK A   0       3.967   2.647  -0.327  1.00  0.00           H  
HETATM   79  H   UNK A   0       3.718   1.520  -1.683  1.00  0.00           H  
HETATM   80  H   UNK A   0       2.152   0.193  -0.292  1.00  0.00           H  
HETATM   81  H   UNK A   0       2.401   1.319   1.064  1.00  0.00           H  
HETATM   82  H   UNK A   0       1.526   3.180  -0.322  1.00  0.00           H  
HETATM   83  H   UNK A   0       1.277   2.054  -1.677  1.00  0.00           H  
HETATM   84  H   UNK A   0      -0.289   0.726  -0.286  1.00  0.00           H  
HETATM   85  H   UNK A   0      -0.040   1.853   1.069  1.00  0.00           H  
HETATM   86  H   UNK A   0      -0.915   3.714  -0.317  1.00  0.00           H  
HETATM   87  H   UNK A   0      -1.164   2.587  -1.672  1.00  0.00           H  
HETATM   88  H   UNK A   0      -2.730   1.260  -0.281  1.00  0.00           H  
HETATM   89  H   UNK A   0      -2.481   2.386   1.074  1.00  0.00           H  
HETATM   90  H   UNK A   0      -3.356   4.247  -0.311  1.00  0.00           H  
HETATM   91  H   UNK A   0      -3.605   3.121  -1.667  1.00  0.00           H  
HETATM   92  H   UNK A   0      -5.171   1.794  -0.276  1.00  0.00           H  
HETATM   93  H   UNK A   0      -4.922   2.920   1.080  1.00  0.00           H  
HETATM   94  H   UNK A   0      -5.796   4.781  -0.306  1.00  0.00           H  
HETATM   95  H   UNK A   0      -6.046   3.655  -1.661  1.00  0.00           H  
HETATM   96  H   UNK A   0      -6.949   4.247   1.845  1.00  0.00           H  
HETATM   97  H   UNK A   0      -8.447   3.290   1.747  1.00  0.00           H  
HETATM   98  H   UNK A   0      -9.301   1.662   0.904  1.00  0.00           H  
HETATM   99  H   UNK A   0     -10.070   2.963  -0.036  1.00  0.00           H  
HETATM  100  H   UNK A   0     -10.223   1.455  -1.999  1.00  0.00           H  
HETATM  101  H   UNK A   0      -9.453   0.154  -1.059  1.00  0.00           H  
HETATM  102  H   UNK A   0     -15.643  -0.225   1.781  1.00  0.00           H  
HETATM  103  H   UNK A   0     -17.463  -1.116   2.020  1.00  0.00           H  
HETATM  104  H   UNK A   0     -19.630  -2.222   2.266  1.00  0.00           H  
HETATM  105  H   UNK A   0     -18.906  -4.443  -1.337  1.00  0.00           H  
HETATM  106  H   UNK A   0     -16.743  -3.331  -1.587  1.00  0.00           H  
ATOM    107  H   ASP A   1      15.906   0.256   0.299  1.00  0.00           H  
ATOM    108  H   ASP A   1      11.887  -1.530   0.829  1.00  0.00           H  
ATOM    109  H   ASP A   1       8.784   1.072  -0.979  1.00  0.00           H  
HETATM  110  H   UNK A   0     -11.882  -0.666  -1.892  1.00  0.00           H  
ATOM    111  HD2 ASP A   1      18.245   0.262  -3.633  1.00  0.00           H  
ATOM    112  HD2 ASP A   1      13.394  -0.382   4.913  1.00  0.00           H  
ATOM    113  HD2 ASP A   1      10.153  -1.757  -4.216  1.00  0.00           H  
HETATM  114  H   UNK A   0      -9.603   6.768   1.623  1.00  0.00           H  
HETATM  115  H   UNK A   0     -21.981  -5.389  -0.143  1.00  0.00           H  
ATOM    116  HXT ASP A   1      18.198  -3.576   2.360  1.00  0.00           H  
CONECT    1   47   47   48    2                                       
CONECT    2    1    3   65   66                                       
CONECT    3    2   41   40   67                                       
CONECT    4   41   49   49    5                                       
CONECT    5    4    6   42   68                                       
CONECT    6    7    5   69   70                                       
CONECT    7    6   50   50   51                                       
CONECT    8   42   52   52    9                                       
CONECT    9    8   10   43   71                                       
CONECT   10   11    9   72   73                                       
CONECT   11   10   53   53   54                                       
CONECT   12   43   55   55   13                                       
CONECT   13   12   14   74   75                                       
CONECT   14   13   15   76   77                                       
CONECT   15   14   16   78   79                                       
CONECT   16   15   17   80   81                                       
CONECT   17   16   18   82   83                                       
CONECT   18   17   19   84   85                                       
CONECT   19   18   20   86   87                                       
CONECT   20   19   21   88   89                                       
CONECT   21   20   22   90   91                                       
CONECT   22   21   23   92   93                                       
CONECT   23   22   44   94   95                                       
CONECT   24   25   44   96   97                                       
CONECT   25   24   56   56   57                                       
CONECT   26   44   58   58   27                                       
CONECT   27   26   28   98   99                                       
CONECT   28   27   29  100  101                                       
CONECT   29   28   59   59   45                                       
CONECT   30   45   46   46   64                                       
CONECT   31   46   32   32  102                                       
CONECT   32   31   31   33   64                                       
CONECT   33   34   34   32   39                                       
CONECT   34   33   33   35  103                                       
CONECT   35   34   36   36  104                                       
CONECT   36   35   35   37   38                                       
CONECT   37   60   60   61   36                                       
CONECT   38   36   39   39  105                                       
CONECT   39   38   38   33  106                                       
CONECT   40    3   62   62   63                                       
CONECT   41    4    3  107                                            
CONECT   42    5    8  108                                            
CONECT   43    9   12  109                                            
CONECT   44   23   24   26                                            
CONECT   45   29   30  110                                            
CONECT   46   30   30   31                                            
CONECT   47    1    1                                                 
CONECT   48    1  111                                                 
CONECT   49    4    4                                                 
CONECT   50    7    7                                                 
CONECT   51    7  112                                                 
CONECT   52    8    8                                                 
CONECT   53   11   11                                                 
CONECT   54   11  113                                                 
CONECT   55   12   12                                                 
CONECT   56   25   25                                                 
CONECT   57   25  114                                                 
CONECT   58   26   26                                                 
CONECT   59   29   29                                                 
CONECT   60   37   37                                                 
CONECT   61   37  115                                                 
CONECT   62   40   40                                                 
CONECT   63   40  116                                                 
CONECT   64   32   30                                                 
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    6                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   20                                                      
CONECT   90   21                                                      
CONECT   91   21                                                      
CONECT   92   22                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   24                                                      
CONECT   97   24                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   28                                                      
CONECT  102   31                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   45                                                      
CONECT  111   48                                                      
CONECT  112   51                                                      
CONECT  113   54                                                      
CONECT  114   57                                                      
CONECT  115   61                                                      
CONECT  116   63                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
