COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.788   2.750   0.296  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.030   1.639   0.351  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.264   0.786   1.181  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.902   1.458  -0.607  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.668   2.312  -1.438  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.144   0.345  -0.552  1.00  0.00           N  
HETATM    7  C   UNL     1       0.908   0.176  -1.448  1.00  0.00           C  
HETATM    8  C   UNL     1       2.207   0.483  -1.065  1.00  0.00           C  
HETATM    9  C   UNL     1       3.249   0.315  -1.954  1.00  0.00           C  
HETATM   10  C   UNL     1       3.009  -0.160  -3.233  1.00  0.00           C  
HETATM   11  C   UNL     1       1.727  -0.471  -3.632  1.00  0.00           C  
HETATM   12  C   UNL     1       0.663  -0.312  -2.741  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.710  -0.642  -3.160  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.646  -0.398  -2.424  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.929  -1.214  -4.360  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.413  -0.636   0.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.188  -1.728   0.075  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.462  -2.713   1.020  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.974  -2.626   2.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.180  -1.528   2.661  1.00  0.00           C  
HETATM   21  C   UNL     1       0.335  -1.413   3.965  1.00  0.00           C  
HETATM   22  C   UNL     1       1.100  -0.338   4.295  1.00  0.00           C  
HETATM   23  C   UNL     1       1.382   0.658   3.356  1.00  0.00           C  
HETATM   24  O   UNL     1       2.149   1.720   3.716  1.00  0.00           O  
HETATM   25  C   UNL     1       0.893   0.579   2.083  1.00  0.00           C  
HETATM   26  C   UNL     1       0.105  -0.519   1.709  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.519   2.868   0.918  1.00  0.00           H  
HETATM   28  H   UNL     1       2.402   0.855  -0.069  1.00  0.00           H  
HETATM   29  H   UNL     1       4.257   0.556  -1.651  1.00  0.00           H  
HETATM   30  H   UNL     1       3.832  -0.289  -3.921  1.00  0.00           H  
HETATM   31  H   UNL     1       1.546  -0.842  -4.630  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.830  -1.431  -4.636  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.586  -1.822  -0.923  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.071  -3.560   0.742  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.197  -3.400   3.007  1.00  0.00           H  
HETATM   36  H   UNL     1       0.125  -2.176   4.700  1.00  0.00           H  
HETATM   37  H   UNL     1       1.494  -0.253   5.297  1.00  0.00           H  
HETATM   38  H   UNL     1       3.067   1.479   3.530  1.00  0.00           H  
HETATM   39  H   UNL     1       1.114   1.357   1.367  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   16                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   10   10   29                                       
CONECT   10    9    9   11   30                                       
CONECT   11   10   12   12   31                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   32                                                 
CONECT   16    6   17   17   26                                       
CONECT   17   16   16   18   33                                       
CONECT   18   17   19   19   34                                       
CONECT   19   18   18   20   35                                       
CONECT   20   19   21   21   26                                       
CONECT   21   20   20   22   36                                       
CONECT   22   21   23   23   37                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   38                                                 
CONECT   25   23   26   26   39                                       
CONECT   26   16   20   25   25                                       
CONECT   27    1                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
