COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       3.239  -1.737  -1.802  1.00  0.00           C  
HETATM    2  O   UNK A   0       2.155  -2.247  -1.995  1.00  0.00           O  
HETATM    3  C   UNK A   0       4.413  -2.114  -2.668  1.00  0.00           C  
ATOM      4  N   ASP A   1       3.393  -0.834  -0.814  1.00  0.00           N  
ATOM      5  CA  ASP A   1       2.282  -0.548   0.097  1.00  0.00           C  
ATOM      6  C   ASP A   1       1.407   0.525  -0.499  1.00  0.00           C  
ATOM      7  O   ASP A   1       1.685   1.003  -1.578  1.00  0.00           O  
ATOM      8  CB  ASP A   1       2.834  -0.068   1.441  1.00  0.00           C  
ATOM      9  CG  ASP A   1       3.596  -1.189   2.100  1.00  0.00           C  
ATOM     10  OD1 ASP A   1       3.757  -2.235   1.517  1.00  0.00           O  
ATOM     11  OD2 ASP A   1       4.095  -1.026   3.335  1.00  0.00           O  
HETATM   12  C   UNK A   2       0.030   3.350  -0.069  1.00  0.00           C  
HETATM   13  N   UNK A   2       0.317   0.952   0.168  1.00  0.00           N  
HETATM   14  O   UNK A   2       1.038   3.436   0.592  1.00  0.00           O  
HETATM   15  C   UNK A   2      -0.534   1.995  -0.412  1.00  0.00           C  
HETATM   16  C   UNK A   2      -1.949   1.873   0.156  1.00  0.00           C  
HETATM   17  C   UNK A   2      -8.050  -2.468   0.498  1.00  0.00           C  
HETATM   18  C   UNK A   2      -6.635  -2.345  -0.070  1.00  0.00           C  
HETATM   19  C   UNK A   2      -6.017  -1.021   0.384  1.00  0.00           C  
HETATM   20  C   UNK A   2      -4.601  -0.898  -0.184  1.00  0.00           C  
HETATM   21  C   UNK A   2      -3.983   0.426   0.270  1.00  0.00           C  
HETATM   22  C   UNK A   2      -2.567   0.548  -0.298  1.00  0.00           C  
HETATM   23  O   UNK A   2      -0.592   4.462  -0.492  1.00  0.00           O  
HETATM   24  H   UNK A   0       4.936  -2.961  -2.224  1.00  0.00           H  
HETATM   25  H   UNK A   0       4.059  -2.387  -3.662  1.00  0.00           H  
HETATM   26  H   UNK A   0       5.095  -1.267  -2.746  1.00  0.00           H  
ATOM     27  H   ASP A   1       4.240  -0.373  -0.706  1.00  0.00           H  
ATOM     28  HA  ASP A   1       1.694  -1.454   0.248  1.00  0.00           H  
ATOM     29  HB1 ASP A   1       2.010   0.239   2.084  1.00  0.00           H  
ATOM     30  HB2 ASP A   1       3.502   0.778   1.277  1.00  0.00           H  
ATOM     31  HD2 ASP A   1       4.575  -1.773   3.717  1.00  0.00           H  
HETATM   32  H   UNK A   2       0.095   0.569   1.031  1.00  0.00           H  
HETATM   33  H   UNK A   2      -0.565   1.878  -1.495  1.00  0.00           H  
HETATM   34  H   UNK A   2      -1.908   1.900   1.244  1.00  0.00           H  
HETATM   35  H   UNK A   2      -2.559   2.701  -0.206  1.00  0.00           H  
HETATM   36  H   UNK A   2      -8.009  -2.440   1.586  1.00  0.00           H  
HETATM   37  H   UNK A   2      -8.660  -1.640   0.136  1.00  0.00           H  
HETATM   38  H   UNK A   2      -8.491  -3.411   0.175  1.00  0.00           H  
HETATM   39  H   UNK A   2      -6.025  -3.173   0.292  1.00  0.00           H  
HETATM   40  H   UNK A   2      -6.676  -2.373  -1.159  1.00  0.00           H  
HETATM   41  H   UNK A   2      -6.626  -0.193   0.022  1.00  0.00           H  
HETATM   42  H   UNK A   2      -5.976  -0.993   1.472  1.00  0.00           H  
HETATM   43  H   UNK A   2      -3.992  -1.727   0.178  1.00  0.00           H  
HETATM   44  H   UNK A   2      -4.642  -0.926  -1.273  1.00  0.00           H  
HETATM   45  H   UNK A   2      -4.592   1.254  -0.092  1.00  0.00           H  
HETATM   46  H   UNK A   2      -3.942   0.454   1.358  1.00  0.00           H  
HETATM   47  H   UNK A   2      -2.609   0.521  -1.387  1.00  0.00           H  
HETATM   48  H   UNK A   2      -1.958  -0.280   0.064  1.00  0.00           H  
HETATM   49  H   UNK A   2      -0.193   5.308  -0.247  1.00  0.00           H  
CONECT    1    3    2    2    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   24   25   26                                       
CONECT    4    5    1   27                                            
CONECT    5    8    4    6   28                                       
CONECT    6   13    7    7    5                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   29   30                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11    9   31                                                 
CONECT   12   14   14   23   15                                       
CONECT   13   15    6   32                                            
CONECT   14   12   12                                                 
CONECT   15   12   13   16   33                                       
CONECT   16   15   22   34   35                                       
CONECT   17   18   36   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   22   45   46                                       
CONECT   22   16   21   47   48                                       
CONECT   23   12   49                                                 
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
