COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -5.270   2.276  -0.221  1.00  0.00           P  
HETATM    2  C   UNL     1      -0.181  -1.940  -0.349  1.00  0.00           C  
HETATM    3  C   UNL     1       0.733  -2.846  -0.858  1.00  0.00           C  
HETATM    4  C   UNL     1       2.076  -2.535  -0.882  1.00  0.00           C  
HETATM    5  C   UNL     1       2.514  -1.302  -0.391  1.00  0.00           C  
HETATM    6  C   UNL     1       1.585  -0.392   0.121  1.00  0.00           C  
HETATM    7  C   UNL     1       0.244  -0.717   0.139  1.00  0.00           C  
HETATM    8  C   UNL     1       3.948  -0.963  -0.413  1.00  0.00           C  
HETATM    9  C   UNL     1       4.365   0.224   0.059  1.00  0.00           C  
HETATM   10  C   UNL     1       5.797   0.562   0.037  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.648  -2.285  -0.331  1.00  0.00           C  
HETATM   12  C   UNL     1       6.726  -0.346  -0.474  1.00  0.00           C  
HETATM   13  C   UNL     1       8.067  -0.022  -0.492  1.00  0.00           C  
HETATM   14  C   UNL     1       8.498   1.200  -0.004  1.00  0.00           C  
HETATM   15  C   UNL     1       7.590   2.109   0.505  1.00  0.00           C  
HETATM   16  C   UNL     1       6.237   1.804   0.525  1.00  0.00           C  
HETATM   17  N   UNL     1       5.319   2.721   1.033  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.079  -2.764   1.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.595  -2.450   1.078  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.349  -3.621   0.760  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.760  -1.386  -0.025  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.451  -1.104  -0.546  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.370  -0.113   0.567  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.627   0.823  -0.481  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.537   3.005  -1.631  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.549   2.126   0.508  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.253   3.163   0.658  1.00  0.00           O  
HETATM   28  H   UNL     1       0.393  -3.798  -1.237  1.00  0.00           H  
HETATM   29  H   UNL     1       2.789  -3.243  -1.280  1.00  0.00           H  
HETATM   30  H   UNL     1       1.916   0.563   0.502  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.475  -0.015   0.535  1.00  0.00           H  
HETATM   32  H   UNL     1       4.663  -1.668  -0.810  1.00  0.00           H  
HETATM   33  H   UNL     1       3.649   0.929   0.456  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.872  -3.045  -1.080  1.00  0.00           H  
HETATM   35  H   UNL     1       6.396  -1.301  -0.855  1.00  0.00           H  
HETATM   36  H   UNL     1       8.785  -0.726  -0.887  1.00  0.00           H  
HETATM   37  H   UNL     1       9.549   1.444  -0.022  1.00  0.00           H  
HETATM   38  H   UNL     1       7.934   3.060   0.884  1.00  0.00           H  
HETATM   39  H   UNL     1       4.374   2.504   1.050  1.00  0.00           H  
HETATM   40  H   UNL     1       5.626   3.578   1.369  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.904  -3.833   1.197  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.565  -2.198   1.856  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.902  -2.050   2.045  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.236  -4.345   1.391  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.400  -1.771  -0.819  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.305  -0.359   1.072  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.674   0.324   1.283  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.925   3.888  -1.550  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.392   3.303   0.241  1.00  0.00           H  
CONECT    1   24   25   26   26                                       
CONECT    1   27                                                      
CONECT    2    3    3    7   11                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   30                                       
CONECT    7    2    6    6   31                                       
CONECT    8    5    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   12   12   16                                       
CONECT   11    2   18   22   34                                       
CONECT   12   10   10   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   10   15   15   17                                       
CONECT   17   16   39   40                                            
CONECT   18   11   19   41   42                                       
CONECT   19   18   20   21   43                                       
CONECT   20   19   44                                                 
CONECT   21   19   22   23   45                                       
CONECT   22   11   21                                                 
CONECT   23   21   24   46   47                                       
CONECT   24    1   23                                                 
CONECT   25    1   48                                                 
CONECT   26    1    1                                                 
CONECT   27    1   49                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
