COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.049   2.854   0.111  1.00  0.00           C  
HETATM    2  N   UNL     1       5.415   1.566  -1.432  1.00  0.00           N  
HETATM    3  O   UNL     1       4.809   3.773  -0.084  1.00  0.00           O  
HETATM    4  CA  UNL     1       4.398   1.471  -0.376  1.00  0.00           C  
HETATM    5  C   UNL     1       4.947   0.644   0.788  1.00  0.00           C  
HETATM    6  C   UNL     1       5.181  -0.773   0.331  1.00  0.00           C  
HETATM    7  C   UNL     1       2.989  -1.789   1.083  1.00  0.00           C  
HETATM    8  C   UNL     1       1.958  -1.338   0.046  1.00  0.00           C  
HETATM    9  C   UNL     1       0.571  -1.298   0.691  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.461  -0.847  -0.346  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.848  -0.808   0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.879  -0.357  -0.738  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.266  -0.317  -0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.297   0.134  -1.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.663   0.172  -0.495  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.468  -0.952  -0.516  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.721  -0.916   0.066  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.170   0.244   0.670  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.365   1.368   0.691  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.110   1.331   0.113  1.00  0.00           C  
HETATM   21  N   UNL     1       4.317  -1.826   0.466  1.00  0.00           N  
HETATM   22  C   UNL     1       6.276  -1.245  -0.294  1.00  0.00           C  
HETATM   23  C   UNL     1       4.918  -2.907  -0.077  1.00  0.00           C  
HETATM   24  N   UNL     1       6.090  -2.552  -0.529  1.00  0.00           N  
HETATM   25  OXT UNL     1       2.897   3.064   0.767  1.00  0.00           O  
HETATM   26  H1  UNL     1       5.054   2.053  -2.239  1.00  0.00           H  
HETATM   27  H2  UNL     1       6.253   2.009  -1.087  1.00  0.00           H  
HETATM   28  HA  UNL     1       3.504   0.990  -0.774  1.00  0.00           H  
HETATM   29  H   UNL     1       5.888   1.076   1.129  1.00  0.00           H  
HETATM   30  H   UNL     1       4.228   0.648   1.607  1.00  0.00           H  
HETATM   31  H   UNL     1       2.996  -1.087   1.917  1.00  0.00           H  
HETATM   32  H   UNL     1       2.728  -2.783   1.446  1.00  0.00           H  
HETATM   33  H   UNL     1       2.218  -0.343  -0.317  1.00  0.00           H  
HETATM   34  H   UNL     1       1.951  -2.039  -0.788  1.00  0.00           H  
HETATM   35  H   UNL     1       0.310  -2.292   1.054  1.00  0.00           H  
HETATM   36  H   UNL     1       0.578  -0.597   1.525  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.200   0.147  -0.709  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.467  -1.548  -1.180  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.108  -1.802   0.662  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.841  -0.107   1.133  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.618   0.637  -1.101  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.886  -1.058  -1.572  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.526  -1.312   0.270  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.259   0.384   0.741  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.037   1.128  -1.493  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.304  -0.568  -1.964  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.117  -1.858  -0.988  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.349  -1.794   0.049  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.149   0.272   1.124  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.716   2.274   1.163  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.480   2.208   0.134  1.00  0.00           H  
HETATM   52  H   UNL     1       7.152  -0.671  -0.559  1.00  0.00           H  
HETATM   53  H   UNL     1       4.498  -3.901  -0.130  1.00  0.00           H  
HETATM   54  HXT UNL     1       2.716   3.968   1.060  1.00  0.00           H  
CONECT    1    3    3   25    4                                       
CONECT    2    4   26   27                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5   22   22   21                                       
CONECT    7   21    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   45   46                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   47                                       
CONECT   17   16   16   18   48                                       
CONECT   18   17   19   19   49                                       
CONECT   19   18   18   20   50                                       
CONECT   20   15   15   19   51                                       
CONECT   21    6    7   23                                            
CONECT   22    6    6   24   52                                       
CONECT   23   21   24   24   53                                       
CONECT   24   22   23   23                                            
CONECT   25    1   54                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
