COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.493   1.654   0.325  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.652   0.795   0.131  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.236   1.188  -0.043  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.964   2.517  -0.043  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.287   0.245  -0.188  1.00  0.00           C  
HETATM    6  C   UNL     1       1.176   0.575  -0.416  1.00  0.00           C  
HETATM    7  C   UNL     1       1.420   0.386  -1.920  1.00  0.00           C  
HETATM    8  C   UNL     1       1.489   2.014  -0.044  1.00  0.00           C  
HETATM    9  C   UNL     1       2.994   2.283  -0.117  1.00  0.00           C  
HETATM   10  C   UNL     1       3.724   1.364   0.857  1.00  0.00           C  
HETATM   11  C   UNL     1       3.490  -0.105   0.483  1.00  0.00           C  
HETATM   12  C   UNL     1       4.259  -0.426  -0.798  1.00  0.00           C  
HETATM   13  C   UNL     1       4.096  -0.959   1.620  1.00  0.00           C  
HETATM   14  C   UNL     1       2.013  -0.407   0.392  1.00  0.00           C  
HETATM   15  C   UNL     1       1.710  -1.811  -0.072  1.00  0.00           C  
HETATM   16  O   UNL     1       2.558  -2.630  -0.352  1.00  0.00           O  
HETATM   17  C   UNL     1       0.282  -2.174  -0.165  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.674  -1.174  -0.150  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.092  -1.556  -0.084  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.040  -0.613   0.053  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.494  -1.004   0.124  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.083  -0.536   1.456  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.256  -0.349  -1.029  1.00  0.00           C  
HETATM   24  H   UNL     1      -1.743   3.078   0.073  1.00  0.00           H  
HETATM   25  H   UNL     1       0.687   0.963  -2.483  1.00  0.00           H  
HETATM   26  H   UNL     1       2.424   0.729  -2.171  1.00  0.00           H  
HETATM   27  H   UNL     1       1.324  -0.670  -2.174  1.00  0.00           H  
HETATM   28  H   UNL     1       1.004   2.689  -0.760  1.00  0.00           H  
HETATM   29  H   UNL     1       1.132   2.230   0.963  1.00  0.00           H  
HETATM   30  H   UNL     1       3.360   2.143  -1.128  1.00  0.00           H  
HETATM   31  H   UNL     1       3.178   3.323   0.176  1.00  0.00           H  
HETATM   32  H   UNL     1       4.794   1.574   0.825  1.00  0.00           H  
HETATM   33  H   UNL     1       3.356   1.538   1.869  1.00  0.00           H  
HETATM   34  H   UNL     1       4.066  -1.459  -1.088  1.00  0.00           H  
HETATM   35  H   UNL     1       3.932   0.242  -1.595  1.00  0.00           H  
HETATM   36  H   UNL     1       5.326  -0.290  -0.625  1.00  0.00           H  
HETATM   37  H   UNL     1       3.601  -0.716   2.560  1.00  0.00           H  
HETATM   38  H   UNL     1       3.952  -2.016   1.396  1.00  0.00           H  
HETATM   39  H   UNL     1       5.162  -0.748   1.705  1.00  0.00           H  
HETATM   40  H   UNL     1       1.620  -0.351   1.441  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.010  -3.213  -0.243  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.372  -2.598  -0.145  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.582  -2.088   0.049  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.134  -0.819   1.508  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.540  -1.003   2.278  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.994   0.548   1.532  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.836  -0.682  -1.978  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.307  -0.632  -0.977  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.167   0.735  -0.954  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   20    1    1    3                                       
CONECT    3    2    5    5    4                                       
CONECT    4    3   24                                                 
CONECT    5   18    3    3    6                                       
CONECT    6    5   14    7    8                                       
CONECT    7    6   25   26   27                                       
CONECT    8    6    9   28   29                                       
CONECT    9    8   10   30   31                                       
CONECT   10   11    9   32   33                                       
CONECT   11   14   12   13   10                                       
CONECT   12   11   34   35   36                                       
CONECT   13   11   37   38   39                                       
CONECT   14   15    6   11   40                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   18   15   41                                       
CONECT   18   19   17   17    5                                       
CONECT   19   20   20   18   42                                       
CONECT   20   21   19   19    2                                       
CONECT   21   23   22   20   43                                       
CONECT   22   21   44   45   46                                       
CONECT   23   21   47   48   49                                       
CONECT   24    4                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
