COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.673   0.301   0.182  1.00  0.00           C  
HETATM    2  C   UNL     1       5.366  -0.438   1.159  1.00  0.00           C  
HETATM    3  C   UNL     1       6.734  -0.197   1.344  1.00  0.00           C  
HETATM    4  C   UNL     1       7.406   0.758   0.577  1.00  0.00           C  
HETATM    5  C   UNL     1       6.739   1.505  -0.398  1.00  0.00           C  
HETATM    6  C   UNL     1       5.379   1.243  -0.559  1.00  0.00           C  
HETATM    7  O   UNL     1       4.556   1.860  -1.452  1.00  0.00           O  
HETATM    8  C   UNL     1       3.315   1.321  -1.293  1.00  0.00           C  
HETATM    9  C   UNL     1       3.330   0.352  -0.295  1.00  0.00           C  
HETATM   10  C   UNL     1       2.129  -0.315   0.008  1.00  0.00           C  
HETATM   11  C   UNL     1       0.971   0.022  -0.706  1.00  0.00           C  
HETATM   12  C   UNL     1       0.999   1.002  -1.701  1.00  0.00           C  
HETATM   13  C   UNL     1       2.180   1.678  -2.019  1.00  0.00           C  
HETATM   14  C   UNL     1       2.236   2.692  -3.042  1.00  0.00           C  
HETATM   15  C   UNL     1       2.001   4.031  -2.719  1.00  0.00           C  
HETATM   16  C   UNL     1       2.526   2.341  -4.364  1.00  0.00           C  
HETATM   17  C   UNL     1       2.580   3.321  -5.354  1.00  0.00           C  
HETATM   18  C   UNL     1       2.344   4.657  -5.027  1.00  0.00           C  
HETATM   19  C   UNL     1       2.055   5.012  -3.710  1.00  0.00           C  
HETATM   20  C   UNL     1       1.804   6.440  -3.361  1.00  0.00           C  
HETATM   21  C   UNL     1       3.033   7.302  -2.946  1.00  0.00           C  
HETATM   22  P   UNL     1       3.981   6.582  -1.562  1.00  0.00           P  
HETATM   23  O   UNL     1       4.555   5.219  -1.815  1.00  0.00           O  
HETATM   24  O   UNL     1       2.954   6.678  -0.318  1.00  0.00           O  
HETATM   25  O   UNL     1       5.080   7.716  -1.217  1.00  0.00           O  
HETATM   26  P   UNL     1       2.492   9.071  -2.907  1.00  0.00           P  
HETATM   27  O   UNL     1       1.983   9.599  -4.216  1.00  0.00           O  
HETATM   28  O   UNL     1       1.427   9.097  -1.692  1.00  0.00           O  
HETATM   29  O   UNL     1       3.768   9.858  -2.303  1.00  0.00           O  
HETATM   30  O   UNL     1       3.973   7.331  -4.020  1.00  0.00           O  
HETATM   31  H   UNL     1       4.858  -1.184   1.763  1.00  0.00           H  
HETATM   32  H   UNL     1       7.279  -0.762   2.096  1.00  0.00           H  
HETATM   33  H   UNL     1       8.468   0.924   0.741  1.00  0.00           H  
HETATM   34  H   UNL     1       7.254   2.247  -0.997  1.00  0.00           H  
HETATM   35  H   UNL     1       2.091  -1.079   0.779  1.00  0.00           H  
HETATM   36  H   UNL     1       0.038  -0.487  -0.480  1.00  0.00           H  
HETATM   37  H   UNL     1       0.077   1.234  -2.231  1.00  0.00           H  
HETATM   38  H   UNL     1       1.775   4.315  -1.693  1.00  0.00           H  
HETATM   39  H   UNL     1       2.712   1.304  -4.634  1.00  0.00           H  
HETATM   40  H   UNL     1       2.804   3.045  -6.380  1.00  0.00           H  
HETATM   41  H   UNL     1       2.387   5.414  -5.806  1.00  0.00           H  
HETATM   42  H   UNL     1       1.065   6.496  -2.544  1.00  0.00           H  
HETATM   43  H   UNL     1       1.308   6.922  -4.221  1.00  0.00           H  
HETATM   44  H   UNL     1       3.227   6.315   0.552  1.00  0.00           H  
HETATM   45  H   UNL     1       5.737   7.541  -0.510  1.00  0.00           H  
HETATM   46  H   UNL     1       0.957   9.934  -1.490  1.00  0.00           H  
HETATM   47  H   UNL     1       3.726  10.834  -2.215  1.00  0.00           H  
HETATM   48  H   UNL     1       4.385   6.453  -4.084  1.00  0.00           H  
CONECT    1    6    6    2    9                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11   11   35                                       
CONECT   11   10   10   12   36                                       
CONECT   12   11   13   13   37                                       
CONECT   13    8   12   12   14                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   19   19   38                                       
CONECT   16   14   14   17   39                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   26   30                                       
CONECT   22   21   23   23   25                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22   44                                                 
CONECT   25   22   45                                                 
CONECT   26   21   27   27   28                                       
CONECT   26   29                                                      
CONECT   27   26   26                                                 
CONECT   28   26   46                                                 
CONECT   29   26   47                                                 
CONECT   30   21   48                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
