COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.316  -0.545   1.656  1.00  0.00           O  
HETATM    2  C   UNL     1       4.921  -0.896   0.561  1.00  0.00           C  
HETATM    3  N   UNL     1       5.624  -1.798  -0.151  1.00  0.00           N  
HETATM    4  C   UNL     1       6.864  -2.357   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       7.459  -3.350  -0.607  1.00  0.00           C  
HETATM    6  C   UNL     1       3.663  -0.334   0.012  1.00  0.00           C  
HETATM    7  N   UNL     1       3.116  -0.616  -1.146  1.00  0.00           N  
HETATM    8  O   UNL     1       2.089  -0.002  -1.319  1.00  0.00           O  
HETATM    9  C   UNL     1       2.809   0.609   0.638  1.00  0.00           C  
HETATM   10  C   UNL     1       1.804   0.795  -0.274  1.00  0.00           C  
HETATM   11  C   UNL     1       0.637   1.686  -0.134  1.00  0.00           C  
HETATM   12  C   UNL     1       0.816   3.075  -0.073  1.00  0.00           C  
HETATM   13  O   UNL     1       2.065   3.604  -0.143  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.283   3.906   0.057  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.560   3.367   0.128  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.634   4.188   0.257  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.656   1.150  -0.068  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.745   1.992   0.068  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.839  -0.194  -0.131  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.110  -0.669  -0.069  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.844  -0.843  -1.234  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.137  -1.325  -1.168  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.700  -1.634   0.056  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.086  -2.150   0.124  1.00  0.00           N1+
HETATM   25  O   UNL     1      -6.729  -2.303  -0.899  1.00  0.00           O1-
HETATM   26  O   UNL     1      -6.582  -2.422   1.202  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.970  -1.461   1.218  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.675  -0.985   1.158  1.00  0.00           C  
HETATM   29  H   UNL     1       5.308  -2.078  -1.025  1.00  0.00           H  
HETATM   30  H   UNL     1       7.576  -1.553   0.574  1.00  0.00           H  
HETATM   31  H   UNL     1       6.650  -2.871   1.331  1.00  0.00           H  
HETATM   32  H   UNL     1       6.746  -4.155  -0.788  1.00  0.00           H  
HETATM   33  H   UNL     1       7.673  -2.836  -1.545  1.00  0.00           H  
HETATM   34  H   UNL     1       8.381  -3.766  -0.202  1.00  0.00           H  
HETATM   35  H   UNL     1       2.925   1.074   1.606  1.00  0.00           H  
HETATM   36  H   UNL     1       2.357   3.805  -1.042  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.146   4.976   0.104  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.014   4.473  -0.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.742   1.580   0.124  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.405  -0.602  -2.191  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.105  -0.854   2.065  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.709  -1.461  -2.075  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.412  -1.703   2.174  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   29                                            
CONECT    4    3    5   30   31                                       
CONECT    5    4   32   33   34                                       
CONECT    6    2    7    7    9                                       
CONECT    7    6    6    8                                            
CONECT    8    7   10                                                 
CONECT    9    6   10   10   35                                       
CONECT   10    8    9    9   11                                       
CONECT   11   10   12   17   17                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   36                                                 
CONECT   14   12   12   15   37                                       
CONECT   15   14   16   18   18                                       
CONECT   16   15   38                                                 
CONECT   17   11   11   18   19                                       
CONECT   18   15   15   17   39                                       
CONECT   19   17   20                                                 
CONECT   20   19   21   28   28                                       
CONECT   21   20   22   22   40                                       
CONECT   22   21   21   23   42                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24                                                 
CONECT   27   23   23   28   43                                       
CONECT   28   20   20   27   41                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   28                                                      
CONECT   42   22                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
