COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.917  -0.103  -0.263  1.00  0.00           C  
HETATM    2  C   UNL     1       1.763   2.198   0.312  1.00  0.00           C  
HETATM    3  C   UNL     1       6.742   1.326  -0.495  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.113   0.073   0.321  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.851  -0.570  -1.376  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.657   0.289   0.466  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.444  -0.013  -0.415  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.165   0.385   0.325  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.951   0.083  -0.556  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.672   0.481   0.184  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.515  -0.344   1.340  1.00  0.00           O  
HETATM   12  C   UNL     1       0.532   0.296  -0.742  1.00  0.00           C  
HETATM   13  C   UNL     1       1.809   0.702  -0.005  1.00  0.00           C  
HETATM   14  O   UNL     1       0.733   2.450   1.270  1.00  0.00           O  
HETATM   15  C   UNL     1       3.023   0.405  -0.887  1.00  0.00           C  
HETATM   16  C   UNL     1       3.167  -1.108  -1.064  1.00  0.00           C  
HETATM   17  C   UNL     1       2.879  -1.807   0.266  1.00  0.00           C  
HETATM   18  C   UNL     1       3.767  -1.210   1.359  1.00  0.00           C  
HETATM   19  O   UNL     1       1.505  -1.622   0.613  1.00  0.00           O  
HETATM   20  O   UNL     1       3.154  -3.204   0.139  1.00  0.00           O  
HETATM   21  C   UNL     1       4.285   0.962  -0.224  1.00  0.00           C  
HETATM   22  C   UNL     1       5.481   0.768  -1.158  1.00  0.00           C  
HETATM   23  H   UNL     1       2.723   2.513   0.720  1.00  0.00           H  
HETATM   24  H   UNL     1       1.554   2.756  -0.600  1.00  0.00           H  
HETATM   25  H   UNL     1       6.923   0.799   0.442  1.00  0.00           H  
HETATM   26  H   UNL     1       7.594   1.187  -1.160  1.00  0.00           H  
HETATM   27  H   UNL     1       6.607   2.388  -0.294  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.892  -0.193  -0.186  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.686   1.355   0.693  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.583  -0.278   1.393  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.415  -1.078  -0.643  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.518   0.555  -1.343  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.193   1.451   0.552  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.091  -0.183   1.253  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.923  -0.982  -0.784  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.025   0.651  -1.484  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.739   1.525   0.489  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.449  -1.289   1.143  1.00  0.00           H  
HETATM   39  H   UNL     1       0.602  -0.749  -1.043  1.00  0.00           H  
HETATM   40  H   UNL     1       0.409   0.922  -1.627  1.00  0.00           H  
HETATM   41  H   UNL     1       1.888   0.136   0.924  1.00  0.00           H  
HETATM   42  H   UNL     1       0.646   3.381   1.519  1.00  0.00           H  
HETATM   43  H   UNL     1       2.888   0.874  -1.862  1.00  0.00           H  
HETATM   44  H   UNL     1       2.460  -1.454  -1.818  1.00  0.00           H  
HETATM   45  H   UNL     1       4.183  -1.342  -1.385  1.00  0.00           H  
HETATM   46  H   UNL     1       3.430  -0.199   1.588  1.00  0.00           H  
HETATM   47  H   UNL     1       3.703  -1.826   2.256  1.00  0.00           H  
HETATM   48  H   UNL     1       4.800  -1.179   1.012  1.00  0.00           H  
HETATM   49  H   UNL     1       0.884  -1.977  -0.036  1.00  0.00           H  
HETATM   50  H   UNL     1       2.993  -3.711   0.946  1.00  0.00           H  
HETATM   51  H   UNL     1       4.150   2.025  -0.023  1.00  0.00           H  
HETATM   52  H   UNL     1       4.466   0.436   0.713  1.00  0.00           H  
HETATM   53  H   UNL     1       5.299   1.295  -2.095  1.00  0.00           H  
HETATM   54  H   UNL     1       5.615  -0.295  -1.359  1.00  0.00           H  
CONECT    1    5    5    4    6                                       
CONECT    2   14   13   23   24                                       
CONECT    3   22   25   26   27                                       
CONECT    4    1   28                                                 
CONECT    5    1    1                                                 
CONECT    6    7    1   29   30                                       
CONECT    7    8    6   31   32                                       
CONECT    8    9    7   33   34                                       
CONECT    9   10    8   35   36                                       
CONECT   10   11   12    9   37                                       
CONECT   11   10   38                                                 
CONECT   12   13   10   39   40                                       
CONECT   13    2   15   12   41                                       
CONECT   14    2   42                                                 
CONECT   15   21   16   13   43                                       
CONECT   16   15   17   44   45                                       
CONECT   17   16   20   18   19                                       
CONECT   18   17   46   47   48                                       
CONECT   19   17   49                                                 
CONECT   20   17   50                                                 
CONECT   21   22   15   51   52                                       
CONECT   22   21    3   53   54                                       
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
