COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -5.417  -3.048   0.444  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.618  -1.964   0.484  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.427  -2.094   0.674  1.00  0.00           O  
HETATM    4  CA  UNL     1      -5.195  -0.611   0.295  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.523  -0.463  -0.043  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.064   0.754  -0.219  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.240   0.842  -0.517  1.00  0.00           O  
HETATM    8  N   UNL     1      -6.341   1.878  -0.073  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.035   1.812   0.257  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.377   2.827   0.390  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.421   0.493   0.460  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.967   0.368   0.835  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.115   0.317  -0.434  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.639   0.190  -0.053  1.00  0.00           C  
HETATM   15  C   UNL     1       0.214   0.139  -1.322  1.00  0.00           C  
HETATM   16  C   UNL     1       1.668   0.014  -0.947  1.00  0.00           C  
HETATM   17  C   UNL     1       2.217  -1.223  -0.798  1.00  0.00           C  
HETATM   18  C   UNL     1       2.430   1.165  -0.762  1.00  0.00           C  
HETATM   19  C   UNL     1       3.748   1.085  -0.422  1.00  0.00           C  
HETATM   20  C   UNL     1       4.344  -0.171  -0.255  1.00  0.00           C  
HETATM   21  C   UNL     1       3.573  -1.343  -0.447  1.00  0.00           C  
HETATM   22  C   UNL     1       4.177  -2.601  -0.285  1.00  0.00           C  
HETATM   23  C   UNL     1       5.491  -2.702   0.055  1.00  0.00           C  
HETATM   24  C   UNL     1       6.284  -1.580   0.253  1.00  0.00           C  
HETATM   25  C   UNL     1       5.753  -0.305   0.108  1.00  0.00           C  
HETATM   26  C   UNL     1       6.594   0.888   0.312  1.00  0.00           C  
HETATM   27  O   UNL     1       6.095   1.995   0.281  1.00  0.00           O  
HETATM   28  O   UNL     1       7.917   0.750   0.532  1.00  0.00           O  
HETATM   29  C   UNL     1       8.683   1.968   0.724  1.00  0.00           C  
HETATM   30  HXT UNL     1      -4.995  -3.909   0.572  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.761   2.742  -0.207  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.672   1.227   1.437  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.818  -0.547   1.410  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.410  -0.542  -1.036  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.264   1.231  -1.009  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.343   1.049   0.549  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.490  -0.725   0.522  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.082  -0.720  -1.924  1.00  0.00           H  
HETATM   39  H   UNL     1       0.064   1.054  -1.897  1.00  0.00           H  
HETATM   40  H   UNL     1       1.615  -2.107  -0.948  1.00  0.00           H  
HETATM   41  H   UNL     1       1.971   2.134  -0.891  1.00  0.00           H  
HETATM   42  H   UNL     1       4.328   1.985  -0.283  1.00  0.00           H  
HETATM   43  H   UNL     1       3.592  -3.498  -0.430  1.00  0.00           H  
HETATM   44  H   UNL     1       5.929  -3.682   0.173  1.00  0.00           H  
HETATM   45  H   UNL     1       7.323  -1.700   0.522  1.00  0.00           H  
HETATM   46  H   UNL     1       8.297   2.508   1.589  1.00  0.00           H  
HETATM   47  H   UNL     1       9.730   1.716   0.891  1.00  0.00           H  
HETATM   48  H   UNL     1       8.598   2.595  -0.164  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.077  -1.251  -0.156  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   11   11                                       
CONECT    5    6    4   49                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   31                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    4    4    9   12                                       
CONECT   12   11   13   32   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   18   15   17   17                                       
CONECT   17   16   16   21   40                                       
CONECT   18   19   19   16   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   17   22   22                                       
CONECT   22   21   21   23   43                                       
CONECT   23   24   24   22   44                                       
CONECT   24   25   23   23   45                                       
CONECT   25   26   20   20   24                                       
CONECT   26   27   27   28   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   26                                                 
CONECT   29   28   46   47   48                                       
CONECT   30    1                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49    5                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
