COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.805   2.582   0.250  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.145   2.311  -0.450  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.585  -2.286   2.326  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.167  -1.285   1.536  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.655  -0.305   2.023  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.338  -1.382   0.042  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.883  -0.075  -0.610  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.101  -0.149  -2.122  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.590  -0.348  -2.414  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.420   0.159  -0.315  1.00  0.00           C  
HETATM   11  N   UNL     1       0.600  -0.748  -0.388  1.00  0.00           N  
HETATM   12  C   UNL     1       1.778  -0.146  -0.044  1.00  0.00           C  
HETATM   13  C   UNL     1       3.082  -0.628   0.038  1.00  0.00           C  
HETATM   14  C   UNL     1       3.413  -2.063  -0.282  1.00  0.00           C  
HETATM   15  C   UNL     1       3.623  -2.214  -1.790  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.630   1.021  -0.067  1.00  0.00           O  
HETATM   17  C   UNL     1       0.063   1.362   0.074  1.00  0.00           C  
HETATM   18  C   UNL     1       1.488   1.209   0.263  1.00  0.00           C  
HETATM   19  C   UNL     1       2.496   2.095   0.655  1.00  0.00           C  
HETATM   20  C   UNL     1       3.772   1.592   0.728  1.00  0.00           C  
HETATM   21  C   UNL     1       4.060   0.270   0.430  1.00  0.00           C  
HETATM   22  H   UNL     1      -0.322   3.448  -0.202  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.974   2.766   1.311  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.868   3.073  -0.157  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.003   2.340  -1.530  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.455  -2.178   3.278  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.735  -2.207  -0.339  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.387  -1.560  -0.193  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.761   0.778  -2.584  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.536  -0.987  -2.530  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.164   0.437  -1.922  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.759  -0.302  -3.490  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.907  -1.320  -2.038  1.00  0.00           H  
HETATM   34  H   UNL     1       0.503  -1.678  -0.646  1.00  0.00           H  
HETATM   35  H   UNL     1       4.325  -2.352   0.242  1.00  0.00           H  
HETATM   36  H   UNL     1       2.592  -2.706   0.037  1.00  0.00           H  
HETATM   37  H   UNL     1       2.712  -1.926  -2.314  1.00  0.00           H  
HETATM   38  H   UNL     1       4.444  -1.572  -2.108  1.00  0.00           H  
HETATM   39  H   UNL     1       3.862  -3.252  -2.021  1.00  0.00           H  
HETATM   40  H   UNL     1       2.282   3.127   0.889  1.00  0.00           H  
HETATM   41  H   UNL     1       4.576   2.247   1.028  1.00  0.00           H  
HETATM   42  H   UNL     1       5.082  -0.071   0.504  1.00  0.00           H  
CONECT    1   17    2   22   23                                       
CONECT    2    1   16   24   25                                       
CONECT    3    4   26                                                 
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   27   28                                       
CONECT    7   10    6    8   16                                       
CONECT    8    7    9   29   30                                       
CONECT    9    8   31   32   33                                       
CONECT   10   11   17   17    7                                       
CONECT   11   12   10   34                                            
CONECT   12   13   13   18   11                                       
CONECT   13   21   14   12   12                                       
CONECT   14   15   13   35   36                                       
CONECT   15   14   37   38   39                                       
CONECT   16    2    7                                                 
CONECT   17   18   10   10    1                                       
CONECT   18   19   19   12   17                                       
CONECT   19   20   18   18   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21   20   20   13   42                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
