COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.975  -0.075  -0.202  1.00  0.00           C  
HETATM    2  CA  UNL     1       5.873  -1.098  -0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       4.518  -0.387  -0.066  1.00  0.00           C  
HETATM    4  C   UNL     1       0.960  -1.468  -0.063  1.00  0.00           C  
HETATM    5  O   UNL     1       7.589   0.258   0.783  1.00  0.00           O  
HETATM    6  N   UNL     1       6.045  -1.872   1.143  1.00  0.00           N  
HETATM    7  O   UNL     1       1.010  -2.682  -0.091  1.00  0.00           O  
HETATM    8  C   UNL     1       3.397  -1.428  -0.081  1.00  0.00           C  
HETATM    9  N   UNL     1       2.099  -0.748  -0.056  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.352  -0.780  -0.037  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.428   0.614  -0.010  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.543  -1.510  -0.045  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.681   1.224   0.014  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.757  -0.826  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.776   2.704   0.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.029  -1.590  -0.026  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.027   3.316   0.066  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.244  -0.909  -0.007  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.708   4.750   0.070  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.099   4.699   0.093  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.105  -3.632  -0.058  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.422  -1.636  -0.014  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.916   5.424   0.095  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.346  -3.021  -0.040  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.789   0.498   0.011  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.668   3.434   0.050  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.999  -2.916  -0.057  1.00  0.00           N  
HETATM   28  HA  UNL     1       5.915  -1.769  -0.951  1.00  0.00           H  
HETATM   29  H   UNL     1       4.442   0.216   0.838  1.00  0.00           H  
HETATM   30  H   UNL     1       4.428   0.257  -0.941  1.00  0.00           H  
HETATM   31  H1  UNL     1       6.903  -2.402   1.122  1.00  0.00           H  
HETATM   32  H2  UNL     1       6.010  -1.272   1.954  1.00  0.00           H  
HETATM   33  H   UNL     1       3.473  -2.031  -0.986  1.00  0.00           H  
HETATM   34  H   UNL     1       3.487  -2.072   0.793  1.00  0.00           H  
HETATM   35  H   UNL     1       2.060   0.221  -0.033  1.00  0.00           H  
HETATM   36  H   UNL     1       0.471   1.212  -0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.523  -2.589  -0.070  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.928   2.721   0.064  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.266   0.170   0.014  1.00  0.00           H  
HETATM   40  H   UNL     1       0.215   5.312   0.072  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.055   5.201   0.112  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.042  -4.709  -0.079  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.379  -1.136   0.001  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.938   6.503   0.112  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.247  -3.616  -0.046  1.00  0.00           H  
HETATM   46  OXT UNL     1       7.276   0.462  -1.395  1.00  0.00           O  
HETATM   47  HXT UNL     1       7.993   1.111  -1.416  1.00  0.00           H  
CONECT    1    2    5    5   46                                       
CONECT    2    6    3    1   28                                       
CONECT    3    8    2   29   30                                       
CONECT    4    7    7    9   10                                       
CONECT    5    1    1                                                 
CONECT    6    2   31   32                                            
CONECT    7    4    4                                                 
CONECT    8    3    9   33   34                                       
CONECT    9    8    4   35                                            
CONECT   10    4   12   12   11                                       
CONECT   11   10   13   13   36                                       
CONECT   12   10   10   14   37                                       
CONECT   13   11   11   25   15                                       
CONECT   14   12   16   25   25                                       
CONECT   15   13   17   17   26                                       
CONECT   16   18   14   27   27                                       
CONECT   17   15   15   20   38                                       
CONECT   18   22   22   16   39                                       
CONECT   19   26   26   23   40                                       
CONECT   20   17   23   23   41                                       
CONECT   21   24   24   27   42                                       
CONECT   22   18   18   24   43                                       
CONECT   23   20   20   19   44                                       
CONECT   24   22   21   21   45                                       
CONECT   25   14   14   13                                            
CONECT   26   15   19   19                                            
CONECT   27   16   16   21                                            
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46    1   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
