COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       4.761   0.269   0.688  1.00  0.00           C  
HETATM    2  O   UNK A   0       4.219   1.150   1.327  1.00  0.00           O  
HETATM    3  O   UNK A   0       6.012   0.447   0.224  1.00  0.00           O  
HETATM    4  C   UNK A   0       6.653   1.715   0.526  1.00  0.00           C  
HETATM    5  C   UNK A   0       8.037   1.732  -0.070  1.00  0.00           C  
HETATM    6  C   UNK A   0       8.231   2.203  -1.355  1.00  0.00           C  
HETATM    7  C   UNK A   0       9.501   2.219  -1.901  1.00  0.00           C  
HETATM    8  C   UNK A   0      10.577   1.763  -1.162  1.00  0.00           C  
HETATM    9  C   UNK A   0      10.383   1.293   0.123  1.00  0.00           C  
HETATM   10  C   UNK A   0       9.114   1.281   0.671  1.00  0.00           C  
ATOM     11  N   ASP A   1       4.111  -0.887   0.448  1.00  0.00           N  
ATOM     12  CA  ASP A   1       2.798  -1.128   1.051  1.00  0.00           C  
ATOM     13  C   ASP A   1       1.724  -0.548   0.166  1.00  0.00           C  
ATOM     14  O   ASP A   1       2.027   0.011  -0.867  1.00  0.00           O  
ATOM     15  CB  ASP A   1       2.575  -2.634   1.204  1.00  0.00           C  
ATOM     16  CG  ASP A   1       3.587  -3.196   2.168  1.00  0.00           C  
ATOM     17  OD1 ASP A   1       4.441  -2.479   2.634  1.00  0.00           O  
ATOM     18  OD2 ASP A   1       3.539  -4.493   2.511  1.00  0.00           O  
ATOM     19  N   GLU A   2       0.429  -0.651   0.522  1.00  0.00           N  
ATOM     20  CA  GLU A   2      -0.615  -0.088  -0.339  1.00  0.00           C  
ATOM     21  C   GLU A   2      -1.833   0.227   0.490  1.00  0.00           C  
ATOM     22  O   GLU A   2      -1.831   0.004   1.682  1.00  0.00           O  
ATOM     23  CB  GLU A   2      -0.984  -1.102  -1.423  1.00  0.00           C  
ATOM     24  CG  GLU A   2       0.219  -1.329  -2.341  1.00  0.00           C  
ATOM     25  CD  GLU A   2      -0.144  -2.328  -3.409  1.00  0.00           C  
ATOM     26  OE1 GLU A   2      -1.252  -2.809  -3.434  1.00  0.00           O  
ATOM     27  OE2 GLU A   2       0.762  -2.682  -4.333  1.00  0.00           O  
ATOM     28  N   VAL A   3      -2.926   0.758  -0.094  1.00  0.00           N  
ATOM     29  CA  VAL A   3      -4.111   1.065   0.712  1.00  0.00           C  
ATOM     30  C   VAL A   3      -5.334   1.048  -0.168  1.00  0.00           C  
ATOM     31  O   VAL A   3      -5.218   1.145  -1.371  1.00  0.00           O  
ATOM     32  CB  VAL A   3      -3.954   2.450   1.342  1.00  0.00           C  
ATOM     33  CG1 VAL A   3      -2.794   2.429   2.339  1.00  0.00           C  
ATOM     34  CG2 VAL A   3      -3.667   3.479   0.246  1.00  0.00           C  
ATOM     35  N   ASP A   4      -6.558   0.925   0.383  1.00  0.00           N  
ATOM     36  CA  ASP A   4      -7.738   0.790  -0.476  1.00  0.00           C  
ATOM     37  C   ASP A   4      -8.219   2.158  -0.886  1.00  0.00           C  
ATOM     38  O   ASP A   4      -7.636   3.144  -0.502  1.00  0.00           O  
ATOM     39  CB  ASP A   4      -8.847   0.068   0.291  1.00  0.00           C  
ATOM     40  CG  ASP A   4      -8.412  -1.342   0.595  1.00  0.00           C  
ATOM     41  OD1 ASP A   4      -7.326  -1.730   0.235  1.00  0.00           O  
ATOM     42  OD2 ASP A   4      -9.232  -2.167   1.266  1.00  0.00           O  
HETATM   43  H   UNK A   0       6.065   2.529   0.102  1.00  0.00           H  
HETATM   44  H   UNK A   0       6.721   1.840   1.606  1.00  0.00           H  
HETATM   45  H   UNK A   0       7.391   2.559  -1.932  1.00  0.00           H  
HETATM   46  H   UNK A   0       9.652   2.587  -2.905  1.00  0.00           H  
HETATM   47  H   UNK A   0      11.569   1.775  -1.589  1.00  0.00           H  
HETATM   48  H   UNK A   0      11.224   0.937   0.700  1.00  0.00           H  
HETATM   49  H   UNK A   0       8.963   0.917   1.676  1.00  0.00           H  
ATOM     50  H   ASP A   1       4.513  -1.559  -0.124  1.00  0.00           H  
ATOM     51  HA  ASP A   1       2.755  -0.653   2.032  1.00  0.00           H  
ATOM     52  HB1 ASP A   1       1.570  -2.816   1.584  1.00  0.00           H  
ATOM     53  HB2 ASP A   1       2.690  -3.118   0.234  1.00  0.00           H  
ATOM     54  HD2 ASP A   1       4.209  -4.808   3.133  1.00  0.00           H  
ATOM     55  H   GLU A   2       0.187  -1.099   1.348  1.00  0.00           H  
ATOM     56  HA  GLU A   2      -0.246   0.825  -0.806  1.00  0.00           H  
ATOM     57  HB1 GLU A   2      -1.268  -2.046  -0.957  1.00  0.00           H  
ATOM     58  HB2 GLU A   2      -1.820  -0.720  -2.008  1.00  0.00           H  
ATOM     59  HG1 GLU A   2       0.503  -0.385  -2.807  1.00  0.00           H  
ATOM     60  HG2 GLU A   2       1.056  -1.711  -1.755  1.00  0.00           H  
ATOM     61  HE2 GLU A   2       0.483  -3.326  -4.997  1.00  0.00           H  
ATOM     62  H   VAL A   3      -2.928   0.937  -1.047  1.00  0.00           H  
ATOM     63  HA  VAL A   3      -4.218   0.318   1.499  1.00  0.00           H  
ATOM     64  HB  VAL A   3      -4.874   2.720   1.860  1.00  0.00           H  
ATOM     65 HG11 VAL A   3      -1.858   2.268   1.804  1.00  0.00           H  
ATOM     66 HG12 VAL A   3      -2.752   3.382   2.867  1.00  0.00           H  
ATOM     67 HG13 VAL A   3      -2.946   1.623   3.056  1.00  0.00           H  
ATOM     68 HG21 VAL A   3      -4.493   3.494  -0.464  1.00  0.00           H  
ATOM     69 HG22 VAL A   3      -3.555   4.466   0.695  1.00  0.00           H  
ATOM     70 HG23 VAL A   3      -2.747   3.210  -0.272  1.00  0.00           H  
ATOM     71  H   ASP A   4      -6.658   0.925   1.348  1.00  0.00           H  
ATOM     72  HA  ASP A   4      -7.477   0.215  -1.364  1.00  0.00           H  
ATOM     73  H   ASP A   4      -9.084   2.257  -1.525  1.00  0.00           H  
ATOM     74  HB1 ASP A   4      -9.047   0.596   1.224  1.00  0.00           H  
ATOM     75  HB2 ASP A   4      -9.753   0.047  -0.315  1.00  0.00           H  
ATOM     76  HD2 ASP A   4      -8.909  -3.063   1.437  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    5    9    9   49                                       
CONECT   11   12   50    1                                            
CONECT   12   11   13   15   51                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   52   53                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   54                                                 
CONECT   19   20   55   13                                            
CONECT   20   19   21   23   56                                       
CONECT   21   20   22   22   28                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   61                                                 
CONECT   28   29   62   21                                            
CONECT   29   28   30   32   63                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   34   64                                       
CONECT   33   32   65   66   67                                       
CONECT   34   32   68   69   70                                       
CONECT   35   36   71   30                                            
CONECT   36   35   37   39   72                                       
CONECT   37   36   38   38   73                                       
CONECT   38   37   37                                                 
CONECT   39   36   40   74   75                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   76                                                 
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
