COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.909   1.910   0.248  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.704   1.999   0.245  1.00  0.00           C  
HETATM    3  OXT UNL     1      -4.119   3.186   0.020  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.857   0.779   0.500  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.665  -0.244   1.178  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.346   0.225  -0.831  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.402  -0.920  -0.570  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.889  -2.211  -0.484  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.027  -3.264  -0.245  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.670  -3.028  -0.090  1.00  0.00           C  
HETATM   11  O   UNL     1       0.179  -4.063   0.145  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.049  -0.678  -0.422  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.180  -1.729  -0.176  1.00  0.00           C  
HETATM   14  O   UNL     1       1.151  -1.492  -0.025  1.00  0.00           O  
HETATM   15  C   UNL     1       1.583  -0.133  -0.126  1.00  0.00           C  
HETATM   16  C   UNL     1       3.076  -0.066   0.067  1.00  0.00           C  
HETATM   17  C   UNL     1       3.726   1.154   0.017  1.00  0.00           C  
HETATM   18  N   UNL     1       2.954   2.394  -0.225  1.00  0.00           N1+
HETATM   19  O   UNL     1       3.525   3.468  -0.268  1.00  0.00           O1-
HETATM   20  O   UNL     1       1.747   2.339  -0.381  1.00  0.00           O  
HETATM   21  C   UNL     1       3.796  -1.223   0.299  1.00  0.00           C  
HETATM   22  C   UNL     1       5.166  -1.161   0.476  1.00  0.00           C  
HETATM   23  C   UNL     1       5.816   0.058   0.421  1.00  0.00           C  
HETATM   24  C   UNL     1       5.095   1.216   0.194  1.00  0.00           C  
HETATM   25  HXT UNL     1      -4.704   3.941  -0.134  1.00  0.00           H  
HETATM   26  HA  UNL     1      -3.010   1.049   1.130  1.00  0.00           H  
HETATM   27  H1  UNL     1      -5.457  -0.512   0.614  1.00  0.00           H  
HETATM   28  H2  UNL     1      -4.103  -1.048   1.418  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.189  -0.128  -1.426  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.822   1.011  -1.375  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.947  -2.397  -0.604  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.411  -4.272  -0.178  1.00  0.00           H  
HETATM   33  H   UNL     1       0.542  -4.464  -0.657  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.670   0.331  -0.493  1.00  0.00           H  
HETATM   35  H   UNL     1       1.326   0.258  -1.110  1.00  0.00           H  
HETATM   36  H   UNL     1       1.090   0.463   0.642  1.00  0.00           H  
HETATM   37  H   UNL     1       3.289  -2.175   0.343  1.00  0.00           H  
HETATM   38  H   UNL     1       5.728  -2.065   0.658  1.00  0.00           H  
HETATM   39  H   UNL     1       6.886   0.106   0.559  1.00  0.00           H  
HETATM   40  H   UNL     1       5.602   2.169   0.156  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   25                                                 
CONECT    4    6    2    5   26                                       
CONECT    5    4   27   28                                            
CONECT    6    7    4   29   30                                       
CONECT    7   12   12    6    8                                       
CONECT    8    7    9    9   31                                       
CONECT    9   10    8    8   32                                       
CONECT   10   13   13   11    9                                       
CONECT   11   10   33                                                 
CONECT   12   13    7    7   34                                       
CONECT   13   14   10   10   12                                       
CONECT   14   15   13                                                 
CONECT   15   14   16   35   36                                       
CONECT   16   17   15   21   21                                       
CONECT   17   18   24   24   16                                       
CONECT   18   20   20   19   17                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21   16   16   22   37                                       
CONECT   22   23   23   21   38                                       
CONECT   23   24   22   22   39                                       
CONECT   24   17   17   23   40                                       
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
