COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OE1 UNL     1      -6.323  -1.733   1.105  1.00  0.00           O  
HETATM    2  CD  UNL     1      -5.244  -1.973   1.594  1.00  0.00           C  
HETATM    3  OE2 UNL     1      -5.164  -2.709   2.713  1.00  0.00           O  
HETATM    4  CG  UNL     1      -3.989  -1.451   0.943  1.00  0.00           C  
HETATM    5  CB  UNL     1      -4.357  -0.655  -0.310  1.00  0.00           C  
HETATM    6  CA  UNL     1      -3.083  -0.125  -0.971  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.435   0.553  -2.269  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.171   1.721  -2.432  1.00  0.00           O  
HETATM    9  OXT UNL     1      -4.042  -0.140  -3.246  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.432   0.840  -0.075  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.991   0.924  -0.348  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.350   1.936   0.602  1.00  0.00           C  
HETATM   13  CA  UNL     1       1.151   2.024   0.317  1.00  0.00           C  
HETATM   14  C   UNL     1       1.762   3.108   1.167  1.00  0.00           C  
HETATM   15  OXT UNL     1       1.335   4.375   1.048  1.00  0.00           O  
HETATM   16  O   UNL     1       2.636   2.837   1.956  1.00  0.00           O  
HETATM   17  N   UNL     1       1.786   0.737   0.634  1.00  0.00           N  
HETATM   18  C   UNL     1       3.023   0.557  -0.136  1.00  0.00           C  
HETATM   19  C   UNL     1       3.654  -0.791   0.220  1.00  0.00           C  
HETATM   20  CA  UNL     1       4.943  -0.979  -0.582  1.00  0.00           C  
HETATM   21  N   UNL     1       4.621  -1.066  -2.013  1.00  0.00           N  
HETATM   22  C   UNL     1       5.628  -2.248  -0.143  1.00  0.00           C  
HETATM   23  OXT UNL     1       6.364  -2.259   0.979  1.00  0.00           O  
HETATM   24  O   UNL     1       5.514  -3.255  -0.801  1.00  0.00           O  
HETATM   25  HE2 UNL     1      -5.996  -3.025   3.092  1.00  0.00           H  
HETATM   26  HG1 UNL     1      -3.460  -0.804   1.642  1.00  0.00           H  
HETATM   27  HG2 UNL     1      -3.348  -2.288   0.667  1.00  0.00           H  
HETATM   28  HB1 UNL     1      -4.886  -1.303  -1.010  1.00  0.00           H  
HETATM   29  HB2 UNL     1      -4.998   0.182  -0.034  1.00  0.00           H  
HETATM   30  HA  UNL     1      -2.403  -0.955  -1.166  1.00  0.00           H  
HETATM   31  HXT UNL     1      -4.248   0.338  -4.061  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.867   1.748  -0.144  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.535  -0.055  -0.198  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.835   1.243  -1.379  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.805   2.915   0.452  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.506   1.617   1.633  1.00  0.00           H  
HETATM   37  HA  UNL     1       1.308   2.257  -0.736  1.00  0.00           H  
HETATM   38  HXT UNL     1       1.757   5.035   1.615  1.00  0.00           H  
HETATM   39  H   UNL     1       1.961   0.655   1.624  1.00  0.00           H  
HETATM   40  H   UNL     1       2.795   0.581  -1.202  1.00  0.00           H  
HETATM   41  H   UNL     1       3.721   1.359   0.104  1.00  0.00           H  
HETATM   42  H   UNL     1       3.882  -0.815   1.286  1.00  0.00           H  
HETATM   43  H   UNL     1       2.956  -1.593  -0.020  1.00  0.00           H  
HETATM   44  HA  UNL     1       5.605  -0.130  -0.410  1.00  0.00           H  
HETATM   45  H1  UNL     1       5.461  -1.126  -2.569  1.00  0.00           H  
HETATM   46  H2  UNL     1       4.008  -1.846  -2.199  1.00  0.00           H  
HETATM   47  HXT UNL     1       6.784  -3.096   1.221  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   25                                                 
CONECT    4    2    5   26   27                                       
CONECT    5    4    6   28   29                                       
CONECT    6    5   10    7   30                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   31                                                 
CONECT   10    6   11   32                                            
CONECT   11   10   12   33   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   17   14   37                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   38                                                 
CONECT   16   14   14                                                 
CONECT   17   13   18   39                                            
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   22   44                                       
CONECT   21   20   45   46                                            
CONECT   22   20   24   24   23                                       
CONECT   23   22   47                                                 
CONECT   24   22   22                                                 
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
