COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -1.551  -0.532   0.793  1.00  0.00           C  
HETATM    2 CL   UNK A   0      -2.791   0.652   4.397  1.00  0.00          Cl  
HETATM    3  C   UNK A   0      -1.538  -1.914   0.921  1.00  0.00           C  
HETATM    4  N   UNK A   0      -1.134  -2.696  -0.172  1.00  0.00           N  
HETATM    5  C   UNK A   0       0.005  -2.359  -0.811  1.00  0.00           C  
HETATM    6  C   UNK A   0       0.841  -1.218  -0.299  1.00  0.00           C  
HETATM    7  O   UNK A   0       0.269   0.034  -0.677  1.00  0.00           O  
HETATM    8  C   UNK A   0      -1.152   0.096  -0.516  1.00  0.00           C  
HETATM    9  C   UNK A   0      -1.917  -2.507   2.115  1.00  0.00           C  
HETATM   10  C   UNK A   0      -2.302  -1.716   3.181  1.00  0.00           C  
HETATM   11  C   UNK A   0      -2.309  -0.338   3.054  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.934   0.255   1.860  1.00  0.00           C  
HETATM   13  C   UNK A   0      -1.595   1.536  -0.536  1.00  0.00           C  
HETATM   14  C   UNK A   0      -0.714   2.536  -0.165  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.118   3.858  -0.182  1.00  0.00           C  
HETATM   16  C   UNK A   0      -2.403   4.187  -0.569  1.00  0.00           C  
HETATM   17  C   UNK A   0      -3.291   3.190  -0.942  1.00  0.00           C  
HETATM   18  C   UNK A   0      -2.883   1.860  -0.931  1.00  0.00           C  
HETATM   19  O   UNK A   0      -4.556   3.512  -1.323  1.00  0.00           O  
HETATM   20  C   UNK A   0      -4.903   4.898  -1.315  1.00  0.00           C  
HETATM   21  O   UNK A   0      -3.749   0.878  -1.301  1.00  0.00           O  
HETATM   22  C   UNK A   0      -4.558   0.305  -0.273  1.00  0.00           C  
HETATM   23  O   UNK A   0       0.354  -2.974  -1.796  1.00  0.00           O  
HETATM   24  C   UNK A   0      -1.928  -3.848  -0.607  1.00  0.00           C  
HETATM   25  C   UNK A   0      -2.955  -3.396  -1.646  1.00  0.00           C  
HETATM   26  C   UNK A   0      -2.231  -2.792  -2.851  1.00  0.00           C  
HETATM   27  C   UNK A   0      -3.784  -4.600  -2.100  1.00  0.00           C  
HETATM   28  C   UNK A   0      -3.879  -2.345  -1.027  1.00  0.00           C  
HETATM   29  C   UNK A   0       2.251  -1.325  -0.882  1.00  0.00           C  
HETATM   30  C   UNK A   0       3.127  -0.258  -0.278  1.00  0.00           C  
ATOM     31  N   ASP A   1       4.420  -0.159  -0.646  1.00  0.00           N  
ATOM     32  CA  ASP A   1       5.271   0.878  -0.058  1.00  0.00           C  
ATOM     33  CB  ASP A   1       6.734   0.433  -0.120  1.00  0.00           C  
ATOM     34  CG  ASP A   1       6.926  -0.781   0.752  1.00  0.00           C  
ATOM     35  OD1 ASP A   1       8.138  -1.349   0.853  1.00  0.00           O  
ATOM     36  OD2 ASP A   1       5.990  -1.243   1.360  1.00  0.00           O  
HETATM   37  O   UNK A   0       2.668   0.512   0.538  1.00  0.00           O  
ATOM     38  C   ASP A   1       5.104   2.162  -0.831  1.00  0.00           C  
ATOM     39  O   ASP A   1       4.351   2.205  -1.775  1.00  0.00           O  
ATOM     40  OXT ASP A   1       5.792   3.256  -0.470  1.00  0.00           O  
HETATM   41  H   UNK A   0       0.897  -1.274   0.788  1.00  0.00           H  
HETATM   42  H   UNK A   0      -1.632  -0.439  -1.336  1.00  0.00           H  
HETATM   43  H   UNK A   0      -1.911  -3.583   2.213  1.00  0.00           H  
HETATM   44  H   UNK A   0      -2.598  -2.173   4.113  1.00  0.00           H  
HETATM   45  H   UNK A   0      -1.940   1.330   1.765  1.00  0.00           H  
HETATM   46  H   UNK A   0       0.291   2.283   0.139  1.00  0.00           H  
HETATM   47  H   UNK A   0      -0.427   4.636   0.108  1.00  0.00           H  
HETATM   48  H   UNK A   0      -2.716   5.220  -0.581  1.00  0.00           H  
HETATM   49  H   UNK A   0      -5.938   5.015  -1.638  1.00  0.00           H  
HETATM   50  H   UNK A   0      -4.791   5.295  -0.306  1.00  0.00           H  
HETATM   51  H   UNK A   0      -4.246   5.441  -1.994  1.00  0.00           H  
HETATM   52  H   UNK A   0      -3.917  -0.142   0.487  1.00  0.00           H  
HETATM   53  H   UNK A   0      -5.173   1.082   0.182  1.00  0.00           H  
HETATM   54  H   UNK A   0      -5.201  -0.463  -0.702  1.00  0.00           H  
HETATM   55  H   UNK A   0      -1.270  -4.597  -1.048  1.00  0.00           H  
HETATM   56  H   UNK A   0      -2.444  -4.279   0.252  1.00  0.00           H  
HETATM   57  H   UNK A   0      -1.573  -3.541  -3.292  1.00  0.00           H  
HETATM   58  H   UNK A   0      -2.963  -2.470  -3.591  1.00  0.00           H  
HETATM   59  H   UNK A   0      -1.640  -1.935  -2.527  1.00  0.00           H  
HETATM   60  H   UNK A   0      -4.300  -5.030  -1.242  1.00  0.00           H  
HETATM   61  H   UNK A   0      -4.516  -4.278  -2.841  1.00  0.00           H  
HETATM   62  H   UNK A   0      -3.126  -5.348  -2.541  1.00  0.00           H  
HETATM   63  H   UNK A   0      -3.288  -1.488  -0.703  1.00  0.00           H  
HETATM   64  H   UNK A   0      -4.611  -2.024  -1.767  1.00  0.00           H  
HETATM   65  H   UNK A   0      -4.395  -2.776  -0.168  1.00  0.00           H  
HETATM   66  H   UNK A   0       2.665  -2.307  -0.654  1.00  0.00           H  
HETATM   67  H   UNK A   0       2.208  -1.191  -1.963  1.00  0.00           H  
ATOM     68  H   ASP A   1       4.787  -0.775  -1.299  1.00  0.00           H  
ATOM     69  HA  ASP A   1       4.984   1.039   0.980  1.00  0.00           H  
ATOM     70  HB1 ASP A   1       6.996   0.187  -1.148  1.00  0.00           H  
ATOM     71  HB2 ASP A   1       7.374   1.240   0.235  1.00  0.00           H  
ATOM     72  HD1 ASP A   1       8.212  -2.126   1.425  1.00  0.00           H  
ATOM     73  HXT ASP A   1       5.652   4.056  -0.995  1.00  0.00           H  
CONECT    1    3    3    8   12                                       
CONECT    2   11                                                      
CONECT    3    1    1    4    9                                       
CONECT    4    3    5   24                                            
CONECT    5    4    6   23   23                                       
CONECT    6    5    7   29   41                                       
CONECT    7    6    8                                                 
CONECT    8    1    7   13   42                                       
CONECT    9    3   10   10   43                                       
CONECT   10    9    9   11   44                                       
CONECT   11    2   10   12   12                                       
CONECT   12    1   11   11   45                                       
CONECT   13    8   14   14   18                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   47                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   18   19                                       
CONECT   18   13   17   17   21                                       
CONECT   19   17   20                                                 
CONECT   20   19   49   50   51                                       
CONECT   21   18   22                                                 
CONECT   22   21   52   53   54                                       
CONECT   23    5    5                                                 
CONECT   24    4   25   55   56                                       
CONECT   25   24   26   27   28                                       
CONECT   26   25   57   58   59                                       
CONECT   27   25   60   61   62                                       
CONECT   28   25   63   64   65                                       
CONECT   29    6   30   66   67                                       
CONECT   30   29   31   37   37                                       
CONECT   31   30   32   68                                            
CONECT   32   31   33   38   69                                       
CONECT   33   32   34   70   71                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   72                                                 
CONECT   36   34   34                                                 
CONECT   37   30   30                                                 
CONECT   38   32   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   73                                                 
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
