COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   ASP A   1       6.131   0.174  -2.465  1.00  0.00           O  
ATOM      2  C   ASP A   1       6.687   1.126  -1.972  1.00  0.00           C  
ATOM      3  CA  ASP A   1       6.395   1.515  -0.546  1.00  0.00           C  
ATOM      4  CB  ASP A   1       7.685   1.452   0.274  1.00  0.00           C  
ATOM      5  CG  ASP A   1       7.418   1.958   1.669  1.00  0.00           C  
ATOM      6  OD1 ASP A   1       6.310   2.330   1.975  1.00  0.00           O  
ATOM      7  OD2 ASP A   1       8.412   1.994   2.571  1.00  0.00           O  
ATOM      8  N   ASP A   1       5.411   0.589   0.020  1.00  0.00           N  
HETATM    9  C   UNK A   0       4.094   0.804  -0.172  1.00  0.00           C  
HETATM   10  O   UNK A   0       3.724   1.764  -0.814  1.00  0.00           O  
HETATM   11  C   UNK A   0       3.082  -0.148   0.410  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.311  -1.528  -0.149  1.00  0.00           C  
HETATM   13  S   UNK A   0       3.263  -2.075  -1.848  1.00  0.00           S  
HETATM   14  C   UNK A   0       3.640  -3.797  -1.569  1.00  0.00           C  
HETATM   15  C   UNK A   0       3.775  -3.840  -0.221  1.00  0.00           C  
HETATM   16  C   UNK A   0       3.611  -2.676   0.506  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.672   0.322   0.048  1.00  0.00           C  
HETATM   18  C   UNK A   0       0.642  -0.572   0.742  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.768  -0.101   0.379  1.00  0.00           C  
HETATM   20  C   UNK A   0      -1.798  -0.995   1.073  1.00  0.00           C  
HETATM   21  N   UNK A   0      -3.148  -0.545   0.725  1.00  0.00           N  
HETATM   22  C   UNK A   0      -4.222  -1.188   1.225  1.00  0.00           C  
HETATM   23  O   UNK A   0      -4.071  -2.141   1.963  1.00  0.00           O  
HETATM   24  C   UNK A   0      -5.588  -0.732   0.874  1.00  0.00           C  
HETATM   25  N   UNK A   0      -5.735   0.307   0.075  1.00  0.00           N  
HETATM   26  C   UNK A   0      -6.695  -1.413   1.403  1.00  0.00           C  
HETATM   27  C   UNK A   0      -7.958  -1.004   1.087  1.00  0.00           C  
HETATM   28  C   UNK A   0      -8.104   0.104   0.230  1.00  0.00           C  
HETATM   29  C   UNK A   0      -9.373   0.579  -0.136  1.00  0.00           C  
HETATM   30  C   UNK A   0      -6.943   0.748  -0.271  1.00  0.00           C  
HETATM   31  C   UNK A   0      -7.093   1.859  -1.132  1.00  0.00           C  
HETATM   32  O   UNK A   0      -5.998   2.493  -1.625  1.00  0.00           O  
HETATM   33  C   UNK A   0      -8.345   2.291  -1.464  1.00  0.00           C  
HETATM   34  C   UNK A   0      -9.479   1.653  -0.968  1.00  0.00           C  
ATOM     35  H   ASP A   1       7.394   1.699  -2.554  1.00  0.00           H  
ATOM     36  HA  ASP A   1       5.997   2.529  -0.520  1.00  0.00           H  
ATOM     37  HB1 ASP A   1       8.446   2.073  -0.198  1.00  0.00           H  
ATOM     38  HB2 ASP A   1       8.035   0.421   0.322  1.00  0.00           H  
ATOM     39  HD2 ASP A   1       8.241   2.319   3.466  1.00  0.00           H  
ATOM     40  H   ASP A   1       5.706  -0.179   0.534  1.00  0.00           H  
HETATM   41  H   UNK A   0       3.189  -0.173   1.495  1.00  0.00           H  
HETATM   42  H   UNK A   0       3.736  -4.598  -2.288  1.00  0.00           H  
HETATM   43  H   UNK A   0       4.011  -4.769   0.277  1.00  0.00           H  
HETATM   44  H   UNK A   0       3.714  -2.682   1.582  1.00  0.00           H  
HETATM   45  H   UNK A   0       1.537   1.353   0.375  1.00  0.00           H  
HETATM   46  H   UNK A   0       1.535   0.263  -1.032  1.00  0.00           H  
HETATM   47  H   UNK A   0       0.776  -1.603   0.415  1.00  0.00           H  
HETATM   48  H   UNK A   0       0.778  -0.512   1.821  1.00  0.00           H  
HETATM   49  H   UNK A   0      -0.903   0.930   0.706  1.00  0.00           H  
HETATM   50  H   UNK A   0      -0.904  -0.161  -0.701  1.00  0.00           H  
HETATM   51  H   UNK A   0      -1.663  -2.026   0.746  1.00  0.00           H  
HETATM   52  H   UNK A   0      -1.662  -0.936   2.153  1.00  0.00           H  
HETATM   53  H   UNK A   0      -3.269   0.216   0.136  1.00  0.00           H  
HETATM   54  H   UNK A   0      -6.548  -2.260   2.057  1.00  0.00           H  
HETATM   55  H   UNK A   0      -8.822  -1.515   1.484  1.00  0.00           H  
HETATM   56  H   UNK A   0     -10.262   0.095   0.240  1.00  0.00           H  
HETATM   57  H   UNK A   0      -5.772   3.191  -0.994  1.00  0.00           H  
HETATM   58  H   UNK A   0      -8.458   3.140  -2.122  1.00  0.00           H  
HETATM   59  H   UNK A   0     -10.457   2.016  -1.246  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    8   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   39                                                 
CONECT    8    3    9   40                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   17   41                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   42                                       
CONECT   15   14   14   16   43                                       
CONECT   16   12   12   15   44                                       
CONECT   17   11   18   45   46                                       
CONECT   18   17   19   47   48                                       
CONECT   19   18   20   49   50                                       
CONECT   20   19   21   51   52                                       
CONECT   21   20   22   53                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   25   26                                       
CONECT   25   24   24   30                                            
CONECT   26   24   27   27   54                                       
CONECT   27   26   26   28   55                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28   34   34   56                                       
CONECT   30   25   28   28   31                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   57                                                 
CONECT   33   31   31   34   58                                       
CONECT   34   29   29   33   59                                       
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
