COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.572   1.114  -0.887  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.601  -1.487   0.165  1.00  0.00           O  
HETATM    3  P   UNL     1      -1.157  -1.045   0.868  1.00  0.00           P  
HETATM    4  O   UNL     1      -0.812  -0.364   2.285  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.628  -2.431   1.087  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.310  -0.196   0.131  1.00  0.00           O  
HETATM    7  O   UNL     1       0.164  -1.067  -0.053  1.00  0.00           O  
HETATM    8  P   UNL     1      -3.899  -0.049   0.345  1.00  0.00           P  
HETATM    9  O   UNL     1      -4.168   0.464   1.706  1.00  0.00           O  
HETATM   10  P   UNL     1      -6.371   1.281  -0.646  1.00  0.00           P  
HETATM   11  O   UNL     1      -7.073  -0.157  -0.826  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.641   1.794   0.716  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.966   2.308  -1.734  1.00  0.00           O  
HETATM   14  C   UNL     1       1.329  -1.826   0.276  1.00  0.00           C  
HETATM   15  C   UNL     1       2.392  -1.622  -0.805  1.00  0.00           C  
HETATM   16  O   UNL     1       2.900  -0.271  -0.771  1.00  0.00           O  
HETATM   17  C   UNL     1       4.185  -0.289  -1.415  1.00  0.00           C  
HETATM   18  N   UNL     1       5.077   0.681  -0.775  1.00  0.00           N  
HETATM   19  C   UNL     1       5.708   1.623  -1.531  1.00  0.00           C  
HETATM   20  C   UNL     1       5.264   0.642   0.557  1.00  0.00           C  
HETATM   21  O   UNL     1       4.687  -0.205   1.219  1.00  0.00           O  
HETATM   22  N   UNL     1       6.068   1.512   1.164  1.00  0.00           N  
HETATM   23  C   UNL     1       6.707   2.443   0.468  1.00  0.00           C  
HETATM   24  N   UNL     1       7.536   3.337   1.107  1.00  0.00           N  
HETATM   25  C   UNL     1       6.529   2.515  -0.928  1.00  0.00           C  
HETATM   26  C   UNL     1       4.757  -1.711  -1.255  1.00  0.00           C  
HETATM   27  C   UNL     1       3.643  -2.490  -0.512  1.00  0.00           C  
HETATM   28  O   UNL     1       3.494  -3.806  -1.049  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.097   2.088  -0.766  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.374   0.736  -1.890  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.465  -1.884  -0.706  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.496   0.547   2.218  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.938  -0.554  -1.697  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.921   2.446  -1.664  1.00  0.00           H  
HETATM   35  H   UNL     1       1.720  -1.493   1.237  1.00  0.00           H  
HETATM   36  H   UNL     1       1.069  -2.883   0.336  1.00  0.00           H  
HETATM   37  H   UNL     1       1.986  -1.855  -1.790  1.00  0.00           H  
HETATM   38  H   UNL     1       4.073  -0.049  -2.472  1.00  0.00           H  
HETATM   39  H   UNL     1       5.555   1.657  -2.600  1.00  0.00           H  
HETATM   40  H   UNL     1       7.654   3.287   2.068  1.00  0.00           H  
HETATM   41  H   UNL     1       8.002   4.017   0.595  1.00  0.00           H  
HETATM   42  H   UNL     1       7.039   3.270  -1.508  1.00  0.00           H  
HETATM   43  H   UNL     1       4.946  -2.158  -2.231  1.00  0.00           H  
HETATM   44  H   UNL     1       5.671  -1.690  -0.661  1.00  0.00           H  
HETATM   45  H   UNL     1       3.843  -2.529   0.559  1.00  0.00           H  
HETATM   46  H   UNL     1       4.286  -4.355  -0.968  1.00  0.00           H  
CONECT    1    8   10   29   30                                       
CONECT    2    8   31                                                 
CONECT    3    7    6    5    5                                       
CONECT    3    4                                                      
CONECT    4    3   32                                                 
CONECT    5    3    3                                                 
CONECT    6    8    3                                                 
CONECT    7   14    3                                                 
CONECT    8    9    9    6    2                                       
CONECT    8    1                                                      
CONECT    9    8    8                                                 
CONECT   10    1   12   12   13                                       
CONECT   10   11                                                      
CONECT   11   10   33                                                 
CONECT   12   10   10                                                 
CONECT   13   10   34                                                 
CONECT   14   15    7   35   36                                       
CONECT   15   27   16   14   37                                       
CONECT   16   17   15                                                 
CONECT   17   26   18   16   38                                       
CONECT   18   20   17   19                                            
CONECT   19   18   25   25   39                                       
CONECT   20   21   21   22   18                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23                                            
CONECT   23   22   22   24   25                                       
CONECT   24   23   40   41                                            
CONECT   25   23   19   19   42                                       
CONECT   26   17   27   43   44                                       
CONECT   27   26   28   15   45                                       
CONECT   28   27   46                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
