COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       6.529  -0.929  -0.275  1.00  0.00           C  
HETATM    2  O   UNK A   0       6.147  -1.805   0.472  1.00  0.00           O  
HETATM    3  C   UNK A   0       7.713  -1.168  -1.175  1.00  0.00           C  
ATOM      4  N   ASP A   1       5.890   0.257  -0.303  1.00  0.00           N  
ATOM      5  CA  ASP A   1       4.672   0.453   0.487  1.00  0.00           C  
ATOM      6  C   ASP A   1       3.493  -0.117  -0.258  1.00  0.00           C  
ATOM      7  O   ASP A   1       3.654  -0.635  -1.343  1.00  0.00           O  
ATOM      8  CB  ASP A   1       4.451   1.948   0.724  1.00  0.00           C  
ATOM      9  CG  ASP A   1       5.562   2.489   1.587  1.00  0.00           C  
ATOM     10  OD1 ASP A   1       6.383   1.737   2.056  1.00  0.00           O  
ATOM     11  OD2 ASP A   1       5.638   3.806   1.835  1.00  0.00           O  
ATOM     12  N   GLN A   2       2.259  -0.051   0.280  1.00  0.00           N  
ATOM     13  CA  GLN A   2       1.113  -0.605  -0.444  1.00  0.00           C  
ATOM     14  C   GLN A   2      -0.148   0.090   0.003  1.00  0.00           C  
ATOM     15  O   GLN A   2      -0.094   0.962   0.844  1.00  0.00           O  
ATOM     16  CB  GLN A   2       1.000  -2.103  -0.153  1.00  0.00           C  
ATOM     17  CG  GLN A   2       2.224  -2.826  -0.718  1.00  0.00           C  
ATOM     18  CD  GLN A   2       2.114  -4.301  -0.431  1.00  0.00           C  
ATOM     19  OE1 GLN A   2       1.150  -4.732   0.167  1.00  0.00           O  
ATOM     20  NE2 GLN A   2       3.085  -5.142  -0.838  1.00  0.00           N  
ATOM     21  N   MET A   3      -1.335  -0.258  -0.532  1.00  0.00           N  
ATOM     22  CA  MET A   3      -2.560   0.418  -0.098  1.00  0.00           C  
ATOM     23  C   MET A   3      -3.742  -0.488  -0.328  1.00  0.00           C  
ATOM     24  O   MET A   3      -3.577  -1.590  -0.808  1.00  0.00           O  
ATOM     25  CB  MET A   3      -2.743   1.708  -0.899  1.00  0.00           C  
ATOM     26  CG  MET A   3      -1.607   2.678  -0.569  1.00  0.00           C  
ATOM     27  SD  MET A   3      -1.823   4.208  -1.520  1.00  0.00           S  
ATOM     28  CE  MET A   3      -0.405   5.214  -1.002  1.00  0.00           C  
ATOM     29  C   ASP A   4      -6.619  -0.801  -1.667  1.00  0.00           C  
ATOM     30  N   ASP A   4      -4.982  -0.075  -0.001  1.00  0.00           N  
ATOM     31  O   ASP A   4      -7.115   0.525  -1.862  1.00  0.00           O  
ATOM     32  CA  ASP A   4      -6.131  -0.955  -0.225  1.00  0.00           C  
ATOM     33  CB  ASP A   4      -7.259  -0.578   0.738  1.00  0.00           C  
ATOM     34  CG  ASP A   4      -6.821  -0.847   2.154  1.00  0.00           C  
ATOM     35  OD2 ASP A   4      -7.654  -0.589   3.175  1.00  0.00           O  
ATOM     36  OD1 ASP A   4      -5.720  -1.294   2.372  1.00  0.00           O  
HETATM   37  H   UNK A   0       7.370  -1.577  -2.125  1.00  0.00           H  
HETATM   38  H   UNK A   0       8.232  -0.226  -1.351  1.00  0.00           H  
HETATM   39  H   UNK A   0       8.394  -1.875  -0.700  1.00  0.00           H  
ATOM     40  H   ASP A   1       6.236   0.982  -0.847  1.00  0.00           H  
ATOM     41  HA  ASP A   1       4.775  -0.056   1.446  1.00  0.00           H  
ATOM     42  HB1 ASP A   1       4.447   2.470  -0.233  1.00  0.00           H  
ATOM     43  HB2 ASP A   1       3.495   2.100   1.225  1.00  0.00           H  
ATOM     44  HD2 ASP A   1       6.368   4.106   2.394  1.00  0.00           H  
ATOM     45  H   GLN A   2       2.130   0.363   1.148  1.00  0.00           H  
ATOM     46  HA  GLN A   2       1.251  -0.453  -1.515  1.00  0.00           H  
ATOM     47  HB1 GLN A   2       0.951  -2.260   0.925  1.00  0.00           H  
ATOM     48  HB2 GLN A   2       0.097  -2.497  -0.619  1.00  0.00           H  
ATOM     49  HG1 GLN A   2       2.274  -2.668  -1.795  1.00  0.00           H  
ATOM     50  HG2 GLN A   2       3.127  -2.431  -0.251  1.00  0.00           H  
ATOM     51 HE21 GLN A   2       3.855  -4.797  -1.317  1.00  0.00           H  
ATOM     52 HE22 GLN A   2       3.013  -6.091  -0.653  1.00  0.00           H  
ATOM     53  H   MET A   3      -1.378  -0.955  -1.205  1.00  0.00           H  
ATOM     54  HA  MET A   3      -2.487   0.656   0.963  1.00  0.00           H  
ATOM     55  HB1 MET A   3      -2.727   1.479  -1.965  1.00  0.00           H  
ATOM     56  HB2 MET A   3      -3.698   2.165  -0.640  1.00  0.00           H  
ATOM     57  HG1 MET A   3      -1.622   2.907   0.496  1.00  0.00           H  
ATOM     58  HG2 MET A   3      -0.652   2.221  -0.829  1.00  0.00           H  
ATOM     59  HE1 MET A   3      -0.451   5.380   0.075  1.00  0.00           H  
ATOM     60  HE2 MET A   3       0.520   4.694  -1.250  1.00  0.00           H  
ATOM     61  HE3 MET A   3      -0.433   6.174  -1.518  1.00  0.00           H  
ATOM     62  H1  ASP A   4      -7.416  -1.519  -1.860  1.00  0.00           H  
ATOM     63  H2  ASP A   4      -5.791  -0.983  -2.352  1.00  0.00           H  
ATOM     64  H   ASP A   4      -5.114   0.806   0.383  1.00  0.00           H  
ATOM     65  H   ASP A   4      -7.442   0.695  -2.757  1.00  0.00           H  
ATOM     66  HA  ASP A   4      -5.836  -1.990  -0.051  1.00  0.00           H  
ATOM     67  HB1 ASP A   4      -7.494   0.480   0.625  1.00  0.00           H  
ATOM     68  HB2 ASP A   4      -8.144  -1.173   0.512  1.00  0.00           H  
ATOM     69  HD2 ASP A   4      -7.328  -0.778   4.066  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   37   38   39                                       
CONECT    4    5   40    1                                            
CONECT    5    4    6    8   41                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   42   43                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   44                                                 
CONECT   12   13   45    6                                            
CONECT   13   12   14   16   46                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   47   48                                       
CONECT   17   16   18   49   50                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   51   52                                            
CONECT   21   22   53   14                                            
CONECT   22   21   23   25   54                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28                                                 
CONECT   28   27   59   60   61                                       
CONECT   29   31   32   62   63                                       
CONECT   30   32   64   23                                            
CONECT   31   29   65                                                 
CONECT   32   29   30   33   66                                       
CONECT   33   32   34   67   68                                       
CONECT   34   33   36   36   35                                       
CONECT   35   34   69                                                 
CONECT   36   34   34                                                 
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
