COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.895   0.937  -0.242  1.00  0.00           C  
HETATM    2  C   UNL     1       2.000  -0.098   0.029  1.00  0.00           C  
HETATM    3  C   UNL     1       2.516  -1.417   0.131  1.00  0.00           C  
HETATM    4  C   UNL     1       3.901  -1.627   0.187  1.00  0.00           C  
HETATM    5  C   UNL     1       0.566   0.100   0.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.262  -1.047   0.163  1.00  0.00           C  
HETATM    7  C   UNL     1       0.296  -2.332   0.097  1.00  0.00           C  
HETATM    8  C   UNL     1       1.634  -2.519   0.119  1.00  0.00           C  
HETATM    9  N   UNL     1       0.005   1.260   0.586  1.00  0.00           N1+
HETATM   10  C   UNL     1      -1.713  -0.856   0.108  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.204   0.468   0.239  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.283   1.494   0.507  1.00  0.00           C  
HETATM   13  C   UNL     1       0.794   2.330   1.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.441  -0.364  -0.066  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.947  -1.664  -0.144  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.605  -1.912  -0.063  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.582   0.706   0.118  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.072   1.972   0.180  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.176   2.689  -1.051  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.779  -0.145  -0.171  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.611  -1.291  -0.360  1.00  0.00           C  
HETATM   22  C   UNL     1       4.254   0.709  -0.253  1.00  0.00           C  
HETATM   23  C   UNL     1       4.762  -0.575  -0.012  1.00  0.00           C  
HETATM   24  O   UNL     1       5.312   1.543  -0.462  1.00  0.00           O  
HETATM   25  C   UNL     1       6.450   0.714  -0.734  1.00  0.00           C  
HETATM   26  O   UNL     1       6.122  -0.493  -0.029  1.00  0.00           O  
HETATM   27  H   UNL     1       2.547   1.924  -0.513  1.00  0.00           H  
HETATM   28  H   UNL     1       4.290  -2.616   0.389  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.354  -3.192   0.025  1.00  0.00           H  
HETATM   30  H   UNL     1       2.034  -3.522   0.126  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.635   2.504   0.653  1.00  0.00           H  
HETATM   32  H   UNL     1       1.203   2.975   0.426  1.00  0.00           H  
HETATM   33  H   UNL     1       0.155   2.917   1.863  1.00  0.00           H  
HETATM   34  H   UNL     1       1.609   1.894   1.781  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.633  -2.488  -0.271  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.241  -2.927  -0.131  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.188   2.779  -1.503  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.838   2.151  -1.730  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.580   3.683  -0.860  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.325  -1.801  -1.280  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.491  -1.970   0.484  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.653  -0.976  -0.428  1.00  0.00           H  
HETATM   43  H   UNL     1       6.549   0.525  -1.803  1.00  0.00           H  
HETATM   44  H   UNL     1       7.361   1.162  -0.335  1.00  0.00           H  
CONECT    1    2    2   22   27                                       
CONECT    2    1    1    3    5                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3   23   28                                       
CONECT    5    2    6    6    9                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8   29                                       
CONECT    8    3    7    7   30                                       
CONECT    9    5   12   12   13                                       
CONECT   10    6   11   11   16                                       
CONECT   11   10   10   12   17                                       
CONECT   12    9    9   11   31                                       
CONECT   13    9   32   33   34                                       
CONECT   14   15   17   17   20                                       
CONECT   15   14   16   16   35                                       
CONECT   16   10   15   15   36                                       
CONECT   17   11   14   14   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   37   38   39                                       
CONECT   20   14   21                                                 
CONECT   21   20   40   41   42                                       
CONECT   22    1   23   23   24                                       
CONECT   23    4   22   22   26                                       
CONECT   24   22   25                                                 
CONECT   25   24   26   43   44                                       
CONECT   26   23   25                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
