COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       1.842   2.053   0.935  1.00  0.00           C  
HETATM    2  C   UNK A   0       2.722   1.137   1.525  1.00  0.00           C  
HETATM    3  C   UNK A   0       2.086   0.956  -1.190  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.963   0.036  -0.623  1.00  0.00           C  
HETATM    5  C   UNK A   0       3.285   0.126   0.748  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.216  -0.850   1.346  1.00  0.00           C  
HETATM    7  C   UNK A   0       5.030  -1.709   0.458  1.00  0.00           C  
ATOM      8  OD1 ASP A   1      -3.009  -3.348  -0.370  1.00  0.00           O  
HETATM    9  O   UNK A   0       0.283   2.738  -2.501  1.00  0.00           O  
HETATM   10  C   UNK A   0       4.708  -1.800  -0.909  1.00  0.00           C  
ATOM     11  CB  ASP A   1      -5.135  -3.083   0.611  1.00  0.00           C  
HETATM   12  S   UNK A   0       0.424   3.117  -1.138  1.00  0.00           S  
HETATM   13  O   UNK A   0       0.866   4.404  -0.731  1.00  0.00           O  
HETATM   14  N   UNK A   0      -1.058   2.887  -0.434  1.00  0.00           N  
HETATM   15  C   UNK A   0      -2.020   1.936  -1.007  1.00  0.00           C  
HETATM   16  C   UNK A   0      -2.451   0.953   0.086  1.00  0.00           C  
HETATM   17  C   UNK A   0      -3.536   0.053  -0.448  1.00  0.00           C  
HETATM   18  O   UNK A   0      -3.925   0.183  -1.589  1.00  0.00           O  
ATOM     19  N   ASP A   1      -4.075  -0.895   0.344  1.00  0.00           N  
ATOM     20  CA  ASP A   1      -5.130  -1.770  -0.174  1.00  0.00           C  
ATOM     21  CG  ASP A   1      -3.846  -3.822   0.361  1.00  0.00           C  
ATOM     22  OD2 ASP A   1      -3.628  -5.008   0.950  1.00  0.00           O  
ATOM     23  C   ASP A   1      -6.466  -1.089  -0.023  1.00  0.00           C  
ATOM     24  OXT ASP A   1      -6.530   0.014   0.468  1.00  0.00           O  
ATOM     25  O   ASP A   1      -7.585  -1.707  -0.433  1.00  0.00           O  
HETATM   26  C   UNK A   0      -2.981   1.735   1.290  1.00  0.00           C  
HETATM   27  C   UNK A   0      -1.870   2.624   1.852  1.00  0.00           C  
HETATM   28  C   UNK A   0      -1.432   3.626   0.779  1.00  0.00           C  
HETATM   29  C   UNK A   0       1.532   1.956  -0.411  1.00  0.00           C  
HETATM   30  C   UNK A   0       3.561  -1.035  -1.444  1.00  0.00           C  
HETATM   31  O   UNK A   0       3.115  -1.285  -2.547  1.00  0.00           O  
HETATM   32  C   UNK A   0       5.473  -2.607  -1.745  1.00  0.00           C  
HETATM   33  C   UNK A   0       6.544  -3.315  -1.227  1.00  0.00           C  
HETATM   34  C   UNK A   0       6.859  -3.226   0.116  1.00  0.00           C  
HETATM   35  C   UNK A   0       6.109  -2.427   0.962  1.00  0.00           C  
HETATM   36  O   UNK A   0       4.313  -0.947   2.554  1.00  0.00           O  
HETATM   37  O   UNK A   0       3.025   1.234   2.843  1.00  0.00           O  
HETATM   38  O   UNK A   0       1.286   3.037   1.688  1.00  0.00           O  
HETATM   39  H   UNK A   0       1.838   0.889  -2.239  1.00  0.00           H  
ATOM     40  HB1 ASP A   1      -5.231  -2.870   1.676  1.00  0.00           H  
ATOM     41  HB2 ASP A   1      -5.975  -3.697   0.286  1.00  0.00           H  
HETATM   42  H   UNK A   0      -2.891   2.476  -1.377  1.00  0.00           H  
HETATM   43  H   UNK A   0      -1.551   1.392  -1.827  1.00  0.00           H  
HETATM   44  H   UNK A   0      -1.596   0.350   0.391  1.00  0.00           H  
ATOM     45  H   ASP A   1      -3.764  -0.999   1.257  1.00  0.00           H  
ATOM     46  HA  ASP A   1      -4.945  -1.977  -1.228  1.00  0.00           H  
ATOM     47  HD2 ASP A   1      -2.786  -5.445   0.760  1.00  0.00           H  
ATOM     48  H   ASP A   1      -8.418  -1.231  -0.315  1.00  0.00           H  
HETATM   49  H   UNK A   0      -3.821   2.356   0.978  1.00  0.00           H  
HETATM   50  H   UNK A   0      -3.312   1.036   2.059  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.241   3.163   2.724  1.00  0.00           H  
HETATM   52  H   UNK A   0      -1.020   2.006   2.141  1.00  0.00           H  
HETATM   53  H   UNK A   0      -0.574   4.192   1.142  1.00  0.00           H  
HETATM   54  H   UNK A   0      -2.252   4.308   0.554  1.00  0.00           H  
HETATM   55  H   UNK A   0       5.231  -2.681  -2.795  1.00  0.00           H  
HETATM   56  H   UNK A   0       7.137  -3.941  -1.877  1.00  0.00           H  
HETATM   57  H   UNK A   0       7.697  -3.783   0.508  1.00  0.00           H  
HETATM   58  H   UNK A   0       6.360  -2.362   2.010  1.00  0.00           H  
HETATM   59  H   UNK A   0       2.432   0.733   3.420  1.00  0.00           H  
HETATM   60  H   UNK A   0       1.806   3.852   1.715  1.00  0.00           H  
CONECT    1   38    2    2   29                                       
CONECT    2   37    1    1    5                                       
CONECT    3   29   29    4   39                                       
CONECT    4    5    5    3   30                                       
CONECT    5    2    6    4    4                                       
CONECT    6   36   36    5    7                                       
CONECT    7    6   35   35   10                                       
CONECT    8   21   21                                                 
CONECT    9   12   12                                                 
CONECT   10    7   30   32   32                                       
CONECT   11   20   21   40   41                                       
CONECT   12   14   13   13   29                                       
CONECT   12    9    9                                                 
CONECT   13   12   12                                                 
CONECT   14   15   28   12                                            
CONECT   15   16   14   42   43                                       
CONECT   16   17   26   15   44                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   45                                            
CONECT   20   23   11   19   46                                       
CONECT   21    8    8   11   22                                       
CONECT   22   21   47                                                 
CONECT   23   25   24   24   20                                       
CONECT   24   23   23                                                 
CONECT   25   23   48                                                 
CONECT   26   16   27   49   50                                       
CONECT   27   26   28   51   52                                       
CONECT   28   27   14   53   54                                       
CONECT   29    1   12    3    3                                       
CONECT   30    4   10   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   10   10   33   55                                       
CONECT   33   34   34   32   56                                       
CONECT   34   35   33   33   57                                       
CONECT   35    7    7   34   58                                       
CONECT   36    6    6                                                 
CONECT   37    2   59                                                 
CONECT   38    1   60                                                 
CONECT   39    3                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
