COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.265  -0.923  -0.221  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.561  -1.726  -0.078  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.405  -3.000  -0.706  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.703  -0.960  -0.751  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.931  -1.667  -0.560  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.810   0.433  -0.121  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.826   1.183  -0.790  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.466   1.152  -0.262  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.442   0.371   0.357  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.544   2.500   0.407  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.205  -1.605   0.453  1.00  0.00           O  
HETATM   12  C   UNL     1       0.108  -1.694   0.965  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.960  -1.078   0.334  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.769   0.077  -0.421  1.00  0.00           C  
HETATM   15  C   UNL     1       0.480   0.615  -0.552  1.00  0.00           C  
HETATM   16  C   UNL     1       1.565   0.003   0.073  1.00  0.00           C  
HETATM   17  C   UNL     1       1.383  -1.156   0.850  1.00  0.00           C  
HETATM   18  C   UNL     1       2.933   0.541  -0.057  1.00  0.00           C  
HETATM   19  C   UNL     1       4.019  -0.347   0.399  1.00  0.00           C  
HETATM   20  C   UNL     1       3.685  -1.443   1.130  1.00  0.00           C  
HETATM   21  O   UNL     1       2.428  -1.736   1.470  1.00  0.00           O  
HETATM   22  C   UNL     1       5.435  -0.053   0.069  1.00  0.00           C  
HETATM   23  C   UNL     1       6.154  -0.919  -0.754  1.00  0.00           C  
HETATM   24  C   UNL     1       7.471  -0.642  -1.059  1.00  0.00           C  
HETATM   25  C   UNL     1       8.079   0.496  -0.549  1.00  0.00           C  
HETATM   26  C   UNL     1       7.365   1.360   0.270  1.00  0.00           C  
HETATM   27  C   UNL     1       6.047   1.092   0.575  1.00  0.00           C  
HETATM   28  O   UNL     1       3.152   1.650  -0.513  1.00  0.00           O  
HETATM   29  O   UNL     1       9.376   0.766  -0.852  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.372   3.441  -0.075  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.863   2.734   1.377  1.00  0.00           O  
HETATM   32  H   UNL     1      -3.016  -0.819  -1.277  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.788  -1.866   0.979  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.500  -0.863  -1.817  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.063   0.337   0.935  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.233   1.284  -1.319  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.051  -2.590   1.548  1.00  0.00           H  
HETATM   38  H   UNL     1       5.682  -1.805  -1.151  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.612   0.549  -0.904  1.00  0.00           H  
HETATM   40  H   UNL     1       8.029  -1.312  -1.696  1.00  0.00           H  
HETATM   41  H   UNL     1       0.626   1.510  -1.138  1.00  0.00           H  
HETATM   42  H   UNL     1       7.841   2.245   0.666  1.00  0.00           H  
HETATM   43  H   UNL     1       5.492   1.765   1.212  1.00  0.00           H  
HETATM   44  H   UNL     1       9.491   1.301  -1.649  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.694  -3.538  -0.333  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.931  -2.561  -0.930  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.948   2.077  -0.442  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.387   4.290   0.387  1.00  0.00           H  
HETATM   49  H   UNL     1       4.474  -2.105   1.455  1.00  0.00           H  
CONECT    1   11   32    2    9                                       
CONECT    2    1    3   33    4                                       
CONECT    3    2   45                                                 
CONECT    4    2   34    5    6                                       
CONECT    5    4   46                                                 
CONECT    6    4    8   35    7                                       
CONECT    7    6   47                                                 
CONECT    8    6    9   36   10                                       
CONECT    9    1    8                                                 
CONECT   10    8   31   31   30                                       
CONECT   11    1   13                                                 
CONECT   12   17   17   37   13                                       
CONECT   13   11   12   14   14                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   16   41                                       
CONECT   16   15   15   18   17                                       
CONECT   17   12   12   16   21                                       
CONECT   18   16   28   28   19                                       
CONECT   19   18   22   20   20                                       
CONECT   20   19   19   21   49                                       
CONECT   21   17   20                                                 
CONECT   22   19   23   23   27                                       
CONECT   23   22   22   24   38                                       
CONECT   24   23   25   25   40                                       
CONECT   25   24   24   29   26                                       
CONECT   26   25   42   27   27                                       
CONECT   27   22   26   26   43                                       
CONECT   28   18   18                                                 
CONECT   29   25   44                                                 
CONECT   30   10   48                                                 
CONECT   31   10   10                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   23                                                      
CONECT   39   14                                                      
CONECT   40   24                                                      
CONECT   41   15                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   29                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48   30                                                      
CONECT   49   20                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
