COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OE1 UNL     1       6.912  -2.806   1.845  1.00  0.00           O  
HETATM    2  CD  UNL     1       6.921  -1.601   1.758  1.00  0.00           C  
HETATM    3  OE2 UNL     1       7.777  -0.881   2.500  1.00  0.00           O  
HETATM    4  CG  UNL     1       5.977  -0.906   0.811  1.00  0.00           C  
HETATM    5  CB  UNL     1       5.122  -1.949   0.088  1.00  0.00           C  
HETATM    6  CA  UNL     1       4.163  -1.244  -0.874  1.00  0.00           C  
HETATM    7  C   UNL     1       3.408  -2.273  -1.674  1.00  0.00           C  
HETATM    8  OXT UNL     1       4.074  -3.136  -2.457  1.00  0.00           O  
HETATM    9  O   UNL     1       2.202  -2.321  -1.612  1.00  0.00           O  
HETATM   10  N   UNL     1       3.216  -0.429  -0.108  1.00  0.00           N  
HETATM   11  C   UNL     1       2.627   0.638  -0.683  1.00  0.00           C  
HETATM   12  O   UNL     1       2.882   0.925  -1.837  1.00  0.00           O  
HETATM   13  N   UNL     1       1.756   1.388   0.021  1.00  0.00           N  
HETATM   14  CA  UNL     1       1.116   2.548  -0.604  1.00  0.00           C  
HETATM   15  C   UNL     1       2.022   3.747  -0.483  1.00  0.00           C  
HETATM   16  OXT UNL     1       1.639   4.930  -0.988  1.00  0.00           O  
HETATM   17  O   UNL     1       3.092   3.642   0.068  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.211   2.839   0.100  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.176   1.673  -0.129  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.503   1.964   0.574  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.453   0.816   0.349  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.103  -0.141  -0.309  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.692   0.852   0.879  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.076   1.951   1.769  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.611  -0.161   0.580  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.400  -1.462   1.028  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.336  -2.430   0.707  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.445  -2.074  -0.044  1.00  0.00           C  
HETATM   29  F   UNL     1      -8.361  -3.014  -0.367  1.00  0.00           F  
HETATM   30  N   UNL     1      -7.616  -0.831  -0.453  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.749   0.120  -0.163  1.00  0.00           C  
HETATM   32  HE2 UNL     1       8.366  -1.371   3.090  1.00  0.00           H  
HETATM   33  HG1 UNL     1       5.330  -0.232   1.372  1.00  0.00           H  
HETATM   34  HG2 UNL     1       6.549  -0.336   0.080  1.00  0.00           H  
HETATM   35  HB1 UNL     1       5.769  -2.623  -0.474  1.00  0.00           H  
HETATM   36  HB2 UNL     1       4.549  -2.520   0.819  1.00  0.00           H  
HETATM   37  HA  UNL     1       4.730  -0.603  -1.548  1.00  0.00           H  
HETATM   38  HXT UNL     1       3.547  -3.778  -2.951  1.00  0.00           H  
HETATM   39  H   UNL     1       3.012  -0.658   0.812  1.00  0.00           H  
HETATM   40  H   UNL     1       1.552   1.159   0.941  1.00  0.00           H  
HETATM   41  HA  UNL     1       0.930   2.338  -1.657  1.00  0.00           H  
HETATM   42  HXT UNL     1       2.254   5.670  -0.886  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.037   2.962   1.168  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.645   3.753  -0.306  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.350   1.550  -1.198  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.743   0.759   0.276  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.329   2.087   1.643  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.936   2.879   0.169  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.502   2.763   1.180  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.815   1.596   2.487  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.196   2.311   2.302  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.526  -1.711   1.612  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.204  -3.449   1.038  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.922   1.126  -0.516  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   32                                                 
CONECT    4    2    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    7    5   10   37                                       
CONECT    7    9    9    8    6                                       
CONECT    8    7   38                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   39                                            
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   40                                            
CONECT   14   18   13   15   41                                       
CONECT   15   14   17   17   16                                       
CONECT   16   15   42                                                 
CONECT   17   15   15                                                 
CONECT   18   19   14   43   44                                       
CONECT   19   20   18   45   46                                       
CONECT   20   21   19   47   48                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   25   21   24                                            
CONECT   24   23   49   50   51                                       
CONECT   25   31   31   26   23                                       
CONECT   26   27   27   25   52                                       
CONECT   27   28   26   26   53                                       
CONECT   28   29   30   30   27                                       
CONECT   29   28                                                      
CONECT   30   28   28   31                                            
CONECT   31   30   25   25   54                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
