COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.390   2.206   0.420  1.00  0.00           O  
HETATM    2  C   UNL     1       3.585   2.127   0.223  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.314   3.246   0.049  1.00  0.00           O  
HETATM    4  CA  UNL     1       4.243   0.799   0.179  1.00  0.00           C  
HETATM    5  N   UNL     1       5.573   0.693  -0.166  1.00  0.00           N  
HETATM    6  C   UNL     1       6.187  -0.501  -0.211  1.00  0.00           C  
HETATM    7  O   UNL     1       7.362  -0.551  -0.521  1.00  0.00           O  
HETATM    8  N   UNL     1       5.537  -1.642   0.077  1.00  0.00           N  
HETATM    9  C   UNL     1       4.233  -1.617   0.423  1.00  0.00           C  
HETATM   10  O   UNL     1       3.643  -2.648   0.685  1.00  0.00           O  
HETATM   11  C   UNL     1       3.541  -0.324   0.484  1.00  0.00           C  
HETATM   12  C   UNL     1       2.087  -0.244   0.872  1.00  0.00           C  
HETATM   13  C   UNL     1       1.217  -0.393  -0.378  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.259  -0.312   0.015  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.129  -0.461  -1.235  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.583  -0.382  -0.847  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.269  -1.534  -0.507  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.600  -1.468  -0.151  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.224   0.844  -0.828  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.555   0.925  -0.474  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.255  -0.235  -0.135  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.681  -0.157   0.244  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.286  -1.167   0.543  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.310   1.034   0.258  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.710   1.036   0.641  1.00  0.00           C  
HETATM   26  HXT UNL     1       3.842   4.088   0.090  1.00  0.00           H  
HETATM   27  H   UNL     1       6.009  -2.489   0.035  1.00  0.00           H  
HETATM   28  H   UNL     1       1.854  -1.044   1.574  1.00  0.00           H  
HETATM   29  H   UNL     1       1.888   0.720   1.340  1.00  0.00           H  
HETATM   30  H   UNL     1       1.451   0.407  -1.081  1.00  0.00           H  
HETATM   31  H   UNL     1       1.416  -1.357  -0.846  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.492  -1.112   0.718  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.458   0.652   0.483  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.896   0.339  -1.937  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.930  -1.425  -1.703  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.761  -2.487  -0.519  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.135  -2.368   0.114  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.682   1.740  -1.091  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.054   1.882  -0.458  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.811   0.639   1.651  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.094   2.056   0.611  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.277   0.414  -0.052  1.00  0.00           H  
HETATM   43  H   UNL     1       6.075   1.495  -0.381  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   26                                                 
CONECT    4    5    2   11   11                                       
CONECT    5    6    4   43                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   27                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    4    4    9   12                                       
CONECT   12   11   13   28   29                                       
CONECT   13   12   14   30   31                                       
CONECT   14   13   15   32   33                                       
CONECT   15   14   16   34   35                                       
CONECT   16   17   15   19   19                                       
CONECT   17   18   18   16   36                                       
CONECT   18   17   17   21   37                                       
CONECT   19   16   16   20   38                                       
CONECT   20   21   21   19   39                                       
CONECT   21   18   22   20   20                                       
CONECT   22   24   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   25   22                                                 
CONECT   25   24   40   41   42                                       
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43    5                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
