COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.684  -0.667   5.064  1.00  0.00           O  
HETATM    2  C   UNL     1       3.966  -1.504   5.600  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.287  -2.082   6.783  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.683  -2.023   4.972  1.00  0.00           C  
HETATM    5  CB  UNL     1       2.897  -3.291   4.132  1.00  0.00           C  
HETATM    6  CG  UNL     1       1.659  -3.925   3.459  1.00  0.00           C  
HETATM    7  CD1 UNL     1       0.635  -4.299   4.538  1.00  0.00           C  
HETATM    8  CD2 UNL     1       0.994  -3.028   2.418  1.00  0.00           C  
HETATM    9  N   UNL     1       1.953  -1.010   4.255  1.00  0.00           N  
HETATM   10  CA  UNL     1       1.559   0.092   5.132  1.00  0.00           C  
HETATM   11  C   UNL     1       0.696  -0.405   6.283  1.00  0.00           C  
HETATM   12  O   UNL     1       1.251  -0.267   7.511  1.00  0.00           O  
HETATM   13  OXT UNL     1      -0.414  -0.901   6.119  1.00  0.00           O  
HETATM   14  C   UNL     1       0.813   1.182   4.351  1.00  0.00           C  
HETATM   15  C   UNL     1       0.845   2.525   5.038  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.004   3.071   5.935  1.00  0.00           C  
HETATM   17  N   UNL     1       0.427   4.326   6.287  1.00  0.00           N  
HETATM   18  C   UNL     1       1.529   4.508   5.593  1.00  0.00           C  
HETATM   19  N   UNL     1       1.821   3.425   4.812  1.00  0.00           N  
HETATM   20  C   UNL     1       2.959   3.305   3.931  1.00  0.00           C  
HETATM   21  C   UNL     1       2.641   3.811   2.551  1.00  0.00           C  
HETATM   22  C   UNL     1       1.961   5.012   2.403  1.00  0.00           C  
HETATM   23  C   UNL     1       1.667   5.483   1.123  1.00  0.00           C  
HETATM   24 CL   UNL     1       0.824   6.970   0.926  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.056   4.748   0.003  1.00  0.00           C  
HETATM   26  C   UNL     1       3.033   3.072   1.443  1.00  0.00           C  
HETATM   27  C   UNL     1       2.739   3.542   0.163  1.00  0.00           C  
HETATM   28 CL   UNL     1       3.221   2.636  -1.218  1.00  0.00          Cl  
HETATM   29  HA  UNL     1       2.028  -2.279   5.815  1.00  0.00           H  
HETATM   30  HB1 UNL     1       3.607  -3.037   3.332  1.00  0.00           H  
HETATM   31  HB2 UNL     1       3.399  -4.048   4.751  1.00  0.00           H  
HETATM   32  HG  UNL     1       1.957  -4.856   2.963  1.00  0.00           H  
HETATM   33 HD11 UNL     1       1.075  -4.978   5.275  1.00  0.00           H  
HETATM   34 HD12 UNL     1       0.273  -3.410   5.067  1.00  0.00           H  
HETATM   35 HD13 UNL     1      -0.230  -4.806   4.096  1.00  0.00           H  
HETATM   36 HD21 UNL     1       0.803  -2.026   2.817  1.00  0.00           H  
HETATM   37 HD22 UNL     1       1.615  -2.937   1.522  1.00  0.00           H  
HETATM   38 HD23 UNL     1       0.036  -3.448   2.093  1.00  0.00           H  
HETATM   39  H   UNL     1       2.531  -0.630   3.497  1.00  0.00           H  
HETATM   40  HA  UNL     1       2.485   0.479   5.572  1.00  0.00           H  
HETATM   41  H   UNL     1       0.697  -0.593   8.252  1.00  0.00           H  
HETATM   42  H   UNL     1       1.249   1.301   3.350  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.228   0.878   4.178  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.905   2.651   6.359  1.00  0.00           H  
HETATM   45  H   UNL     1       2.149   5.393   5.615  1.00  0.00           H  
HETATM   46  H   UNL     1       3.264   2.251   3.906  1.00  0.00           H  
HETATM   47  H   UNL     1       3.795   3.860   4.374  1.00  0.00           H  
HETATM   48  H   UNL     1       1.660   5.582   3.279  1.00  0.00           H  
HETATM   49  H   UNL     1       1.827   5.115  -0.995  1.00  0.00           H  
HETATM   50  H   UNL     1       3.565   2.132   1.573  1.00  0.00           H  
HETATM   51  HXT UNL     1       5.133  -1.782   7.176  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   51                                                 
CONECT    4    2    5    9   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7    8   32                                       
CONECT    7    6   33   34   35                                       
CONECT    8    6   36   37   38                                       
CONECT    9    4   10   39                                            
CONECT   10    9   11   14   40                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   41                                                 
CONECT   13   11   11                                                 
CONECT   14   10   15   42   43                                       
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   45                                       
CONECT   19   15   18   20                                            
CONECT   20   19   21   46   47                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   48                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23                                                      
CONECT   25   23   23   27   49                                       
CONECT   26   21   27   27   50                                       
CONECT   27   25   26   26   28                                       
CONECT   28   27                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51    3                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
