COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -4.808   1.597   1.291  1.00  0.00           N  
HETATM    2  C   UNK A   0      -5.226   0.908   0.063  1.00  0.00           C  
HETATM    3  C   UNK A   0      -5.263  -0.601   0.311  1.00  0.00           C  
HETATM    4  O   UNK A   0      -6.274  -0.901   1.275  1.00  0.00           O  
HETATM    5  C   UNK A   0      -6.620   1.392  -0.344  1.00  0.00           C  
HETATM    6  C   UNK A   0      -6.557   2.875  -0.713  1.00  0.00           C  
HETATM    7  C   UNK A   0      -5.687   3.055  -1.958  1.00  0.00           C  
HETATM    8  C   UNK A   0      -7.969   3.390  -0.999  1.00  0.00           C  
HETATM    9  C   UNK A   0      -3.923  -1.057   0.830  1.00  0.00           C  
HETATM   10  O   UNK A   0      -3.828  -1.504   1.953  1.00  0.00           O  
ATOM     11  N   VAL A   1      -2.831  -0.969   0.045  1.00  0.00           N  
ATOM     12  CA  VAL A   1      -1.529  -1.413   0.549  1.00  0.00           C  
ATOM     13  C   VAL A   1      -0.432  -0.690  -0.190  1.00  0.00           C  
ATOM     14  O   VAL A   1      -0.710   0.116  -1.052  1.00  0.00           O  
ATOM     15  CB  VAL A   1      -1.384  -2.920   0.331  1.00  0.00           C  
ATOM     16  CG1 VAL A   1      -2.498  -3.654   1.080  1.00  0.00           C  
ATOM     17  CG2 VAL A   1      -1.485  -3.231  -1.164  1.00  0.00           C  
ATOM     18  N   VAL A   2       0.858  -0.940   0.108  1.00  0.00           N  
ATOM     19  CA  VAL A   2       1.925  -0.238  -0.609  1.00  0.00           C  
ATOM     20  C   VAL A   2       3.163  -0.192   0.249  1.00  0.00           C  
ATOM     21  O   VAL A   2       3.347  -1.042   1.094  1.00  0.00           O  
ATOM     22  CB  VAL A   2       2.236  -0.977  -1.912  1.00  0.00           C  
ATOM     23  CG1 VAL A   2       2.540  -2.445  -1.606  1.00  0.00           C  
ATOM     24  CG2 VAL A   2       1.028  -0.892  -2.847  1.00  0.00           C  
ATOM     25  N   ASP A   3       4.065   0.795   0.079  1.00  0.00           N  
ATOM     26  CA  ASP A   3       5.319   0.780   0.836  1.00  0.00           C  
ATOM     27  C   ASP A   3       5.098   1.412   2.186  1.00  0.00           C  
ATOM     28  O   ASP A   3       4.005   1.832   2.485  1.00  0.00           O  
ATOM     29  CB  ASP A   3       6.385   1.567   0.072  1.00  0.00           C  
ATOM     30  CG  ASP A   3       6.695   0.866  -1.225  1.00  0.00           C  
ATOM     31  OD1 ASP A   3       7.608   1.380  -2.065  1.00  0.00           O  
ATOM     32  OD2 ASP A   3       6.121  -0.158  -1.510  1.00  0.00           O  
ATOM     33  OXT ASP A   3       6.115   1.508   3.056  1.00  0.00           O  
HETATM   34  H   UNK A   0      -4.714   2.589   1.135  1.00  0.00           H  
HETATM   35  H   UNK A   0      -5.450   1.409   2.047  1.00  0.00           H  
HETATM   36  H   UNK A   0      -4.518   1.128  -0.736  1.00  0.00           H  
HETATM   37  H   UNK A   0      -5.486  -1.118  -0.622  1.00  0.00           H  
HETATM   38  H   UNK A   0      -6.139  -0.474   2.132  1.00  0.00           H  
HETATM   39  H   UNK A   0      -6.967   0.818  -1.204  1.00  0.00           H  
HETATM   40  H   UNK A   0      -7.310   1.253   0.488  1.00  0.00           H  
HETATM   41  H   UNK A   0      -6.126   3.438   0.116  1.00  0.00           H  
HETATM   42  H   UNK A   0      -5.642   4.112  -2.221  1.00  0.00           H  
HETATM   43  H   UNK A   0      -4.680   2.688  -1.754  1.00  0.00           H  
HETATM   44  H   UNK A   0      -6.117   2.492  -2.787  1.00  0.00           H  
HETATM   45  H   UNK A   0      -8.589   3.262  -0.112  1.00  0.00           H  
HETATM   46  H   UNK A   0      -7.924   4.447  -1.262  1.00  0.00           H  
HETATM   47  H   UNK A   0      -8.400   2.827  -1.828  1.00  0.00           H  
ATOM     48  H   VAL A   1      -2.908  -0.612  -0.854  1.00  0.00           H  
ATOM     49  HA  VAL A   1      -1.457  -1.191   1.614  1.00  0.00           H  
ATOM     50  HB  VAL A   1      -0.415  -3.250   0.706  1.00  0.00           H  
ATOM     51 HG11 VAL A   1      -2.395  -4.727   0.925  1.00  0.00           H  
ATOM     52 HG12 VAL A   1      -2.426  -3.432   2.145  1.00  0.00           H  
ATOM     53 HG13 VAL A   1      -3.467  -3.324   0.705  1.00  0.00           H  
ATOM     54 HG21 VAL A   1      -0.692  -2.708  -1.698  1.00  0.00           H  
ATOM     55 HG22 VAL A   1      -1.382  -4.305  -1.320  1.00  0.00           H  
ATOM     56 HG23 VAL A   1      -2.454  -2.901  -1.539  1.00  0.00           H  
ATOM     57  H   VAL A   2       1.081  -1.585   0.798  1.00  0.00           H  
ATOM     58  HA  VAL A   2       1.602   0.778  -0.836  1.00  0.00           H  
ATOM     59  HB  VAL A   2       3.100  -0.519  -2.393  1.00  0.00           H  
ATOM     60 HG11 VAL A   2       1.705  -2.883  -1.060  1.00  0.00           H  
ATOM     61 HG12 VAL A   2       2.689  -2.988  -2.539  1.00  0.00           H  
ATOM     62 HG13 VAL A   2       3.444  -2.509  -1.000  1.00  0.00           H  
ATOM     63 HG21 VAL A   2       0.810   0.154  -3.066  1.00  0.00           H  
ATOM     64 HG22 VAL A   2       1.249  -1.419  -3.776  1.00  0.00           H  
ATOM     65 HG23 VAL A   2       0.163  -1.350  -2.367  1.00  0.00           H  
ATOM     66  H   ASP A   3       3.884   1.515  -0.545  1.00  0.00           H  
ATOM     67  HA  ASP A   3       5.652  -0.250   0.967  1.00  0.00           H  
ATOM     68  HB1 ASP A   3       6.016   2.571  -0.136  1.00  0.00           H  
ATOM     69  HB2 ASP A   3       7.291   1.632   0.675  1.00  0.00           H  
ATOM     70  HD1 ASP A   3       7.772   0.895  -2.885  1.00  0.00           H  
ATOM     71  HXT ASP A   3       5.925   1.921   3.910  1.00  0.00           H  
CONECT    1    2   34   35                                            
CONECT    2    1    3    5   36                                       
CONECT    3    2    4    9   37                                       
CONECT    4    3   38                                                 
CONECT    5    2    6   39   40                                       
CONECT    6    5    7    8   41                                       
CONECT    7    6   42   43   44                                       
CONECT    8    6   45   46   47                                       
CONECT    9    3   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   48                                            
CONECT   12   11   13   15   49                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   50                                       
CONECT   16   15   51   52   53                                       
CONECT   17   15   54   55   56                                       
CONECT   18   13   19   57                                            
CONECT   19   18   20   22   58                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   24   59                                       
CONECT   23   22   60   61   62                                       
CONECT   24   22   63   64   65                                       
CONECT   25   20   26   66                                            
CONECT   26   25   27   29   67                                       
CONECT   27   26   28   28   33                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   68   69                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   70                                                 
CONECT   32   30   30                                                 
CONECT   33   27   71                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
