COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       3.866   0.664   0.325  1.00  0.00           N  
HETATM    2  C   UNK A   0       3.811   0.436  -0.971  1.00  0.00           C  
HETATM    3  C   UNK A   0       5.015   0.723  -1.831  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.654  -0.058  -1.554  1.00  0.00           C  
HETATM    5  O   UNK A   0       2.601  -0.291  -2.892  1.00  0.00           O  
HETATM    6  C   UNK A   0       1.551  -0.324  -0.748  1.00  0.00           C  
HETATM    7  C   UNK A   0       0.276  -0.868  -1.338  1.00  0.00           C  
HETATM    8  C   UNK A   0       1.653  -0.070   0.609  1.00  0.00           C  
HETATM    9  C   UNK A   0       2.838   0.429   1.116  1.00  0.00           C  
HETATM   10  C   UNK A   0       0.485  -0.335   1.524  1.00  0.00           C  
HETATM   11  O   UNK A   0       0.842   0.005   2.865  1.00  0.00           O  
HETATM   12  P   UNK A   0      -0.444  -0.300   3.782  1.00  0.00           P  
HETATM   13  O   UNK A   0      -0.792  -1.735   3.680  1.00  0.00           O  
HETATM   14  O   UNK A   0      -0.110   0.063   5.314  1.00  0.00           O  
HETATM   15  O   UNK A   0      -1.687   0.589   3.277  1.00  0.00           O  
ATOM     16  N   ASP A   1      -0.593   0.245  -1.737  1.00  0.00           N  
ATOM     17  CA  ASP A   1      -1.811  -0.351  -2.301  1.00  0.00           C  
ATOM     18  CB  ASP A   1      -2.998   0.581  -2.053  1.00  0.00           C  
ATOM     19  CG  ASP A   1      -3.177   0.782  -0.570  1.00  0.00           C  
ATOM     20  OD1 ASP A   1      -2.432   0.235   0.207  1.00  0.00           O  
ATOM     21  OD2 ASP A   1      -4.165   1.568  -0.113  1.00  0.00           O  
ATOM     22  C   ASP A   1      -1.632  -0.551  -3.784  1.00  0.00           C  
ATOM     23  O   ASP A   1      -2.202  -1.457  -4.344  1.00  0.00           O  
ATOM     24  OXT ASP A   1      -0.839   0.276  -4.482  1.00  0.00           O  
HETATM   25  H   UNK A   0       5.643  -0.165  -1.885  1.00  0.00           H  
HETATM   26  H   UNK A   0       4.688   0.998  -2.834  1.00  0.00           H  
HETATM   27  H   UNK A   0       5.584   1.545  -1.397  1.00  0.00           H  
HETATM   28  H   UNK A   0       2.282   0.523  -3.305  1.00  0.00           H  
HETATM   29  H   UNK A   0       0.511  -1.477  -2.212  1.00  0.00           H  
HETATM   30  H   UNK A   0      -0.234  -1.481  -0.596  1.00  0.00           H  
HETATM   31  H   UNK A   0       2.923   0.628   2.174  1.00  0.00           H  
HETATM   32  H   UNK A   0      -0.366   0.267   1.210  1.00  0.00           H  
HETATM   33  H   UNK A   0       0.219  -1.391   1.477  1.00  0.00           H  
HETATM   34  H   UNK A   0      -0.905  -0.134   5.828  1.00  0.00           H  
HETATM   35  H   UNK A   0      -1.419   1.515   3.360  1.00  0.00           H  
ATOM     36  H   ASP A   1      -0.867   0.717  -0.888  1.00  0.00           H  
ATOM     37  HA  ASP A   1      -1.999  -1.313  -1.825  1.00  0.00           H  
ATOM     38  HB1 ASP A   1      -2.810   1.543  -2.529  1.00  0.00           H  
ATOM     39  HB2 ASP A   1      -3.902   0.139  -2.471  1.00  0.00           H  
ATOM     40  HD2 ASP A   1      -4.280   1.697   0.837  1.00  0.00           H  
ATOM     41  HXT ASP A   1      -0.724   0.147  -5.434  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   25   26   27                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   28                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   16   29   30                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   31                                       
CONECT   10    8   11   32   33                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   34                                                 
CONECT   15   12   35                                                 
CONECT   16    7   17   36                                            
CONECT   17   16   18   22   37                                       
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   40                                                 
CONECT   22   17   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   41                                                 
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
