COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.716   2.235  -1.699  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.458   2.509  -1.771  1.00  0.00           O  
HETATM    3  C   UNL     1       1.252   1.532  -0.478  1.00  0.00           C  
HETATM    4  N   UNL     1       0.160   1.300   0.471  1.00  0.00           N  
HETATM    5  C   UNL     1       1.864   0.192  -0.889  1.00  0.00           C  
HETATM    6  O   UNL     1       2.873   0.423  -1.869  1.00  0.00           O  
HETATM    7  C   UNL     1       3.602  -0.759  -2.234  1.00  0.00           C  
HETATM    8  C   UNL     1       4.278  -1.260  -0.971  1.00  0.00           C  
HETATM    9  CA  UNL     1       3.503  -1.148   0.287  1.00  0.00           C  
HETATM   10  C   UNL     1       3.988  -1.809   1.528  1.00  0.00           C  
HETATM   11  N   UNL     1       2.399  -0.468   0.295  1.00  0.00           N  
HETATM   12  C   UNL     1       5.504  -1.773  -0.993  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.903   0.555   0.106  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.955   0.077  -1.007  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.026   0.317   1.082  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.082  -0.540   0.433  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.411  -1.765   0.982  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.379  -2.553   0.389  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.021  -2.112  -0.760  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.973  -2.885  -1.345  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.690  -0.882  -1.309  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.725  -0.096  -0.708  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.629   1.637   1.487  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.191   2.666   1.030  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.652   1.670   2.356  1.00  0.00           O  
HETATM   26  O   UNL     1       2.253   2.345   0.138  1.00  0.00           O  
HETATM   27  C   UNL     1       1.757   3.572   0.676  1.00  0.00           C  
HETATM   28  O   UNL     1       4.984  -2.502   1.497  1.00  0.00           O  
HETATM   29  OXT UNL     1       3.321  -1.639   2.685  1.00  0.00           O  
HETATM   30  H   UNL     1       1.380   2.490  -2.510  1.00  0.00           H  
HETATM   31  H   UNL     1       0.201   1.683   1.361  1.00  0.00           H  
HETATM   32  H   UNL     1       1.085  -0.436  -1.322  1.00  0.00           H  
HETATM   33  H   UNL     1       2.917  -1.517  -2.616  1.00  0.00           H  
HETATM   34  H   UNL     1       4.350  -0.518  -2.990  1.00  0.00           H  
HETATM   35  H   UNL     1       6.006  -1.934  -1.935  1.00  0.00           H  
HETATM   36  H   UNL     1       5.999  -2.028  -0.067  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.638  -0.192   1.965  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.911  -2.108   1.876  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.635  -3.510   0.817  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.869  -2.720  -1.019  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.188  -0.537  -2.202  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.470   0.863  -1.132  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.005   2.540   2.585  1.00  0.00           H  
HETATM   44  H   UNL     1       1.061   3.357   1.487  1.00  0.00           H  
HETATM   45  H   UNL     1       2.588   4.164   1.058  1.00  0.00           H  
HETATM   46  H   UNL     1       1.242   4.129  -0.106  1.00  0.00           H  
HETATM   47  HXT UNL     1       3.674  -2.089   3.465  1.00  0.00           H  
CONECT    1    2    2    3   30                                       
CONECT    2    1    1                                                 
CONECT    3    1    5    4   26                                       
CONECT    4    3   13   31                                            
CONECT    5    3   11    6   32                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   33   34                                       
CONECT    8    7   12   12    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   28   28   29                                       
CONECT   11    5    9    9                                            
CONECT   12    8    8   35   36                                       
CONECT   13    4   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   23   16   37                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   40                                                 
CONECT   21   19   22   22   41                                       
CONECT   22   16   21   21   42                                       
CONECT   23   15   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   43                                                 
CONECT   26    3   27                                                 
CONECT   27   26   44   45   46                                       
CONECT   28   10   10                                                 
CONECT   29   10   47                                                 
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
