COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       1.077   2.320   1.568  1.00  0.00           C  
HETATM    2  C   UNK A   1      -0.350   2.200   1.099  1.00  0.00           C  
HETATM    3  C   UNK A   1       1.327   3.091  -1.414  1.00  0.00           C  
HETATM    4  C   UNK A   1      -0.203   3.067  -1.331  1.00  0.00           C  
HETATM    5  C   UNK A   1      -2.069   1.822  -0.609  1.00  0.00           C  
HETATM    6  C   UNK A   1      -2.181   2.038  -2.121  1.00  0.00           C  
HETATM    7  C   UNK A   1      -0.733   2.294  -2.550  1.00  0.00           C  
HETATM    8  C   UNK A   1      -2.123   0.343  -0.314  1.00  0.00           C  
HETATM    9  C   UNK A   1       2.169   0.252   1.007  1.00  0.00           C  
HETATM   10  C   UNK A   1       1.408   3.814   1.811  1.00  0.00           C  
HETATM   11  C   UNK A   1       1.007   4.627   0.576  1.00  0.00           C  
HETATM   12  C   UNK A   1       1.853   4.296  -0.641  1.00  0.00           C  
HETATM   13  N   UNK A   1      -0.764   2.382  -0.174  1.00  0.00           N  
HETATM   14  N   UNK A   1       2.066   1.586   0.844  1.00  0.00           N  
HETATM   15  O   UNK A   1      -1.189   1.944   1.946  1.00  0.00           O  
HETATM   16  O   UNK A   1       1.421  -0.326   1.770  1.00  0.00           O  
HETATM   17  C   UNK A   1       3.194  -0.507   0.258  1.00  0.00           C  
HETATM   18  N   UNK A   1       4.082   0.130  -0.484  1.00  0.00           N  
HETATM   19  C   UNK A   0       5.018  -0.498  -1.174  1.00  0.00           C  
HETATM   20  C   UNK A   0       5.132  -1.860  -1.167  1.00  0.00           C  
HETATM   21  C   UNK A   1       3.230  -1.919   0.336  1.00  0.00           C  
HETATM   22  C   UNK A   0       4.224  -2.613  -0.402  1.00  0.00           C  
HETATM   23  C   UNK A   0       4.280  -4.013  -0.340  1.00  0.00           C  
HETATM   24  C   UNK A   0       3.379  -4.686   0.428  1.00  0.00           C  
HETATM   25  C   UNK A   0       2.403  -4.004   1.153  1.00  0.00           C  
HETATM   26  C   UNK A   1       2.313  -2.645   1.107  1.00  0.00           C  
HETATM   27  O   UNK A   1      -1.178  -0.204   0.213  1.00  0.00           O  
ATOM     28  N   ASP A   2      -3.220  -0.369  -0.637  1.00  0.00           N  
ATOM     29  C   ASP A   2      -2.613  -2.577  -1.495  1.00  0.00           C  
ATOM     30  OD2 ASP A   2      -6.626  -1.815   1.312  1.00  0.00           O  
ATOM     31  CG  ASP A   2      -5.344  -1.576   0.992  1.00  0.00           C  
ATOM     32  CB  ASP A   2      -4.731  -2.245  -0.211  1.00  0.00           C  
ATOM     33  OD1 ASP A   2      -4.683  -0.824   1.668  1.00  0.00           O  
ATOM     34  CA  ASP A   2      -3.272  -1.805  -0.350  1.00  0.00           C  
ATOM     35  O   ASP A   2      -3.378  -2.403  -2.690  1.00  0.00           O  
HETATM   36  H   UNK A   1       1.064   1.881   2.604  1.00  0.00           H  
HETATM   37  H   UNK A   1       1.779   2.164  -1.190  1.00  0.00           H  
HETATM   38  H   UNK A   1       1.566   3.293  -2.485  1.00  0.00           H  
HETATM   39  H   UNK A   1      -0.578   4.094  -1.372  1.00  0.00           H  
HETATM   40  H   UNK A   1      -2.880   2.337  -0.094  1.00  0.00           H  
HETATM   41  H   UNK A   1      -2.574   1.147  -2.610  1.00  0.00           H  
HETATM   42  H   UNK A   1      -2.807   2.902  -2.342  1.00  0.00           H  
HETATM   43  H   UNK A   1      -0.691   2.910  -3.448  1.00  0.00           H  
HETATM   44  H   UNK A   1      -0.191   1.360  -2.689  1.00  0.00           H  
HETATM   45  H   UNK A   1       0.848   4.165   2.672  1.00  0.00           H  
HETATM   46  H   UNK A   1       2.476   3.917   1.983  1.00  0.00           H  
HETATM   47  H   UNK A   1      -0.053   4.473   0.369  1.00  0.00           H  
HETATM   48  H   UNK A   1       1.138   5.696   0.816  1.00  0.00           H  
HETATM   49  H   UNK A   1       2.874   4.087  -0.324  1.00  0.00           H  
HETATM   50  H   UNK A   1       1.864   5.156  -1.314  1.00  0.00           H  
HETATM   51  H   UNK A   1       2.663   2.048   0.235  1.00  0.00           H  
HETATM   52  H   UNK A   0       5.714   0.083  -1.761  1.00  0.00           H  
HETATM   53  H   UNK A   0       5.906  -2.349  -1.740  1.00  0.00           H  
HETATM   54  H   UNK A   0       5.031  -4.553  -0.898  1.00  0.00           H  
HETATM   55  H   UNK A   0       3.421  -5.764   0.477  1.00  0.00           H  
HETATM   56  H   UNK A   0       1.700  -4.563   1.754  1.00  0.00           H  
HETATM   57  H   UNK A   1       1.552  -2.131   1.674  1.00  0.00           H  
ATOM     58  H   ASP A   2      -3.976   0.069  -1.059  1.00  0.00           H  
ATOM     59  H1  ASP A   2      -1.602  -2.202  -1.652  1.00  0.00           H  
ATOM     60  H2  ASP A   2      -2.572  -3.637  -1.242  1.00  0.00           H  
ATOM     61  HD2 ASP A   2      -6.975  -1.363   2.092  1.00  0.00           H  
ATOM     62  HB1 ASP A   2      -4.773  -3.327  -0.086  1.00  0.00           H  
ATOM     63  HB2 ASP A   2      -5.283  -1.960  -1.106  1.00  0.00           H  
ATOM     64  HA  ASP A   2      -2.740  -2.009   0.579  1.00  0.00           H  
ATOM     65  H   ASP A   2      -3.018  -2.866  -3.458  1.00  0.00           H  
CONECT    1   14    2   10   36                                       
CONECT    2    1   13   15   15                                       
CONECT    3    4   12   37   38                                       
CONECT    4    7    3   13   39                                       
CONECT    5    6   13    8   40                                       
CONECT    6    7    5   41   42                                       
CONECT    7    4    6   43   44                                       
CONECT    8    5   27   27   28                                       
CONECT    9   16   16   17   14                                       
CONECT   10    1   11   45   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12    3   11   49   50                                       
CONECT   13    4    2    5                                            
CONECT   14    9    1   51                                            
CONECT   15    2    2                                                 
CONECT   16    9    9                                                 
CONECT   17   21    9   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   20   20   18   52                                       
CONECT   20   22   19   19   53                                       
CONECT   21   26   26   22   17                                       
CONECT   22   23   23   21   20                                       
CONECT   23   24   22   22   54                                       
CONECT   24   25   25   23   55                                       
CONECT   25   24   24   26   56                                       
CONECT   26   25   21   21   57                                       
CONECT   27    8    8                                                 
CONECT   28    8   34   58                                            
CONECT   29   34   35   59   60                                       
CONECT   30   31   61                                                 
CONECT   31   32   33   33   30                                       
CONECT   32   34   31   62   63                                       
CONECT   33   31   31                                                 
CONECT   34   28   29   32   64                                       
CONECT   35   29   65                                                 
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
