COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.122  -1.942  -0.286  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.594  -0.852   0.232  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.330  -1.077   0.015  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.446  -2.098  -0.412  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.809   1.392   1.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.378   2.615   0.222  1.00  0.00           C  
HETATM    7  C   UNL     1       5.108  -0.424   0.664  1.00  0.00           C  
HETATM    8  C   UNL     1       3.634  -0.535   0.552  1.00  0.00           C  
HETATM    9  C   UNL     1       5.842   0.227  -0.334  1.00  0.00           C  
HETATM   10  C   UNL     1       1.500   0.497   0.175  1.00  0.00           C  
HETATM   11  C   UNL     1       3.013  -1.772   0.726  1.00  0.00           C  
HETATM   12  C   UNL     1       2.869   0.599   0.279  1.00  0.00           C  
HETATM   13  C   UNL     1       5.769  -0.964   1.765  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.405   0.216   0.684  1.00  0.00           C  
HETATM   15  C   ACE A   0      -2.797   0.109   0.577  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.624   1.127   1.006  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.337   2.325   1.687  1.00  0.00           N  
HETATM   18  CA  UNL     1      -4.067   1.956  -0.123  1.00  0.00           C  
HETATM   19  C   UNL     1       0.877  -0.742   0.343  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.713  -1.253  -0.123  1.00  0.00           C  
HETATM   21  OXT UNL     1      -5.976   3.425  -0.666  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.979  -3.273  -0.969  1.00  0.00           C  
HETATM   23  C   UNL     1       1.643  -1.875   0.622  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.196  -2.408  -0.668  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.890   2.415   1.298  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.328  -3.414  -1.090  1.00  0.00           C  
HETATM   27  F   UNL     1      -6.530  -2.577  -0.802  1.00  0.00           F  
HETATM   28  O   UNL     1       5.206   0.757  -1.411  1.00  0.00           O  
HETATM   29  CB  UNL     1      -3.016   3.030  -0.410  1.00  0.00           C  
HETATM   30  C   UNL     1       7.218   0.331  -0.218  1.00  0.00           C  
HETATM   31  C   UNL     1       6.020   1.407  -2.389  1.00  0.00           C  
HETATM   32  C   UNL     1       5.135   1.936  -3.520  1.00  0.00           C  
HETATM   33  C   UNL     1       7.141  -0.853   1.867  1.00  0.00           C  
HETATM   34  C   UNL     1       7.864  -0.208   0.879  1.00  0.00           C  
HETATM   35  H   UNL     1       0.907   1.375  -0.037  1.00  0.00           H  
HETATM   36  H   UNL     1       3.605  -2.648   0.941  1.00  0.00           H  
HETATM   37  H   UNL     1       3.350   1.557   0.149  1.00  0.00           H  
HETATM   38  H   UNL     1       5.208  -1.467   2.539  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.413   0.761   1.517  1.00  0.00           H  
HETATM   40  HA  UNL     1      -4.197   1.329  -1.005  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.394  -0.479   0.200  1.00  0.00           H  
HETATM   42  HXT UNL     1      -6.815   3.825  -0.399  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.320  -4.062  -1.300  1.00  0.00           H  
HETATM   44  H   UNL     1       1.163  -2.833   0.752  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.732  -4.319  -1.519  1.00  0.00           H  
HETATM   46  HB1 UNL     1      -2.098   2.556  -0.756  1.00  0.00           H  
HETATM   47  HB2 UNL     1      -3.388   3.706  -1.180  1.00  0.00           H  
HETATM   48  HB3 UNL     1      -2.813   3.593   0.501  1.00  0.00           H  
HETATM   49  H   UNL     1       7.788   0.832  -0.987  1.00  0.00           H  
HETATM   50  H   UNL     1       6.552   2.238  -1.926  1.00  0.00           H  
HETATM   51  H   UNL     1       6.740   0.696  -2.794  1.00  0.00           H  
HETATM   52  H   UNL     1       4.603   1.105  -3.984  1.00  0.00           H  
HETATM   53  H   UNL     1       4.415   2.647  -3.115  1.00  0.00           H  
HETATM   54  H   UNL     1       5.755   2.432  -4.266  1.00  0.00           H  
HETATM   55  H   UNL     1       7.653  -1.271   2.721  1.00  0.00           H  
HETATM   56  H   UNL     1       8.937  -0.126   0.965  1.00  0.00           H  
CONECT    1    4    2    2                                            
CONECT    2   14    1    1   19                                       
CONECT    3   15   20   20    4                                       
CONECT    4    1    3   22   22                                       
CONECT    5   14   17   17   17                                       
CONECT    6   18   25   25   21                                       
CONECT    7   13   13    9    8                                       
CONECT    8    7   11   11   12                                       
CONECT    9    7   30   30   28                                       
CONECT   10   19   12   12   35                                       
CONECT   11    8    8   23   36                                       
CONECT   12    8   10   10   37                                       
CONECT   13    7    7   33   38                                       
CONECT   14   15   15    5    2                                       
CONECT   15   14   14    3   16                                       
CONECT   16   15   18   39                                            
CONECT   17    5    5    5                                            
CONECT   18   16    6   29   40                                       
CONECT   19    2   23   23   10                                       
CONECT   20    3    3   24   41                                       
CONECT   21    6   42                                                 
CONECT   22    4    4   26   43                                       
CONECT   23   19   19   11   44                                       
CONECT   24   20   26   26   27                                       
CONECT   25    6    6                                                 
CONECT   26   22   24   24   45                                       
CONECT   27   24                                                      
CONECT   28    9   31                                                 
CONECT   29   18   46   47   48                                       
CONECT   30    9    9   34   49                                       
CONECT   31   28   32   50   51                                       
CONECT   32   31   52   53   54                                       
CONECT   33   13   34   34   55                                       
CONECT   34   30   33   33   56                                       
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
