COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.306  -0.637  -0.862  1.00  0.00           C  
HETATM    2  N   UNL     1       3.007  -2.045   0.091  1.00  0.00           N  
HETATM    3  C   UNL     1       3.769  -0.949   0.082  1.00  0.00           C  
HETATM    4  N   UNL     1       5.077  -0.996   0.369  1.00  0.00           N1+
HETATM    5  C   UNL     1       5.805   0.104   0.357  1.00  0.00           C  
HETATM    6  N   UNL     1       7.149   0.011   0.665  1.00  0.00           N  
HETATM    7  N   UNL     1       5.301   1.298   0.054  1.00  0.00           N  
HETATM    8  C   UNL     1       4.024   1.449  -0.250  1.00  0.00           C  
HETATM    9  O   UNL     1       3.524   2.668  -0.556  1.00  0.00           O  
HETATM   10  C   UNL     1       3.189   0.302  -0.247  1.00  0.00           C  
HETATM   11  N   UNL     1       1.894   0.375  -0.543  1.00  0.00           N  
HETATM   12  C   UNL     1       1.161  -0.718  -0.528  1.00  0.00           C  
HETATM   13  C   UNL     1       1.729  -1.950  -0.205  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.062  -0.278   0.340  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.162   0.197   1.421  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.525   0.330   1.363  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.195   0.123   0.153  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.472  -0.219  -0.994  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.108  -0.345  -0.930  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.444  -0.144   0.277  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.661   0.265   0.087  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.305   0.065  -1.080  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.288   0.562   1.084  1.00  0.00           O  
HETATM   24  H   UNL     1      -0.648  -1.604  -1.232  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.462   0.121  -1.630  1.00  0.00           H  
HETATM   26  H   UNL     1       5.490  -1.845   0.592  1.00  0.00           H  
HETATM   27  H   UNL     1       7.704   0.807   0.658  1.00  0.00           H  
HETATM   28  H   UNL     1       7.536  -0.848   0.893  1.00  0.00           H  
HETATM   29  H   UNL     1       3.616   2.776  -1.513  1.00  0.00           H  
HETATM   30  H   UNL     1       1.112  -2.837  -0.198  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.598  -0.135   1.180  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.643   0.357   2.355  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.081   0.594   2.250  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.986  -0.380  -1.930  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.549  -0.609  -1.816  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.267   0.158  -1.123  1.00  0.00           H  
CONECT    1   12   14   24   25                                       
CONECT    2    3    3   13                                            
CONECT    3    2    2    4   10                                       
CONECT    4    3    5    5   26                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5   27   28                                            
CONECT    7    5    8    8                                            
CONECT    8    7    7    9   10                                       
CONECT    9    8   29                                                 
CONECT   10    3    8   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12    1   11   13   13                                       
CONECT   13    2   12   12   30                                       
CONECT   14    1   20   31                                            
CONECT   15   16   16   20   32                                       
CONECT   16   15   15   17   33                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   34                                       
CONECT   19   18   20   20   35                                       
CONECT   20   14   15   19   19                                       
CONECT   21   17   22   23   23                                       
CONECT   22   21   36                                                 
CONECT   23   21   21                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
