COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.573  -0.442  -0.251  1.00  0.00           P  
HETATM    2  O   UNL     1       6.278  -0.873  -1.633  1.00  0.00           O  
HETATM    3  O   UNL     1       6.159   0.831   0.226  1.00  0.00           O  
HETATM    4  O   UNL     1       3.993  -0.247  -0.492  1.00  0.00           O  
HETATM    5  C   UNL     1       3.105   0.235   0.518  1.00  0.00           C  
HETATM    6  C   UNL     1       1.683   0.298  -0.042  1.00  0.00           C  
HETATM    7  C   UNL     1       0.727   0.934   0.991  1.00  0.00           C  
HETATM    8  O   UNL     1       0.371   2.257   0.534  1.00  0.00           O  
HETATM    9  B   UNL     1      -0.992   2.329   0.674  1.00  0.00           B1-
HETATM   10  C   UNL     1      -1.575   3.479  -0.195  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.328   3.931  -1.472  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.035   5.011  -1.969  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.988   5.636  -1.185  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.236   5.181   0.098  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.534   4.104   0.592  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.556   3.362   1.908  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.332   2.607   1.972  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.510   1.118   0.287  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.596   0.132   0.816  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.268  -0.883  -0.299  1.00  0.00           C  
HETATM   21  O   UNL     1       1.168  -1.033  -0.255  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.923  -2.166  -0.030  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.366  -3.239   0.599  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.229  -4.211   0.668  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.391  -3.823   0.090  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.211  -2.504  -0.360  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.639  -4.432  -0.125  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.878  -5.727   0.301  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.585  -3.736  -0.747  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.218  -1.885  -0.966  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.366  -2.500  -1.157  1.00  0.00           C  
HETATM   32  O   UNL     1       5.811  -1.589   0.854  1.00  0.00           O  
HETATM   33  H   UNL     1       7.233  -1.007  -1.561  1.00  0.00           H  
HETATM   34  H   UNL     1       5.451  -2.452   0.607  1.00  0.00           H  
HETATM   35  H   UNL     1       3.129  -0.438   1.375  1.00  0.00           H  
HETATM   36  H   UNL     1       3.417   1.232   0.830  1.00  0.00           H  
HETATM   37  H   UNL     1       1.667   0.866  -0.972  1.00  0.00           H  
HETATM   38  H   UNL     1       1.124   0.922   2.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.949  -0.328   1.740  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.163  -1.970  -1.658  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.584   3.443  -2.084  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.843   5.367  -2.970  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.538   6.480  -1.574  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.980   5.669   0.711  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.601   4.070   2.735  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.412   2.690   1.943  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.578  -0.494  -1.269  1.00  0.00           H  
HETATM   48  H   UNL     1       0.643  -3.278   0.982  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.180  -6.225   0.754  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.744  -6.136   0.147  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1   32                                                      
CONECT    2    1   33                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   35   36                                       
CONECT    6    5    7   21   37                                       
CONECT    7    6    8   19   38                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   17   18                                       
CONECT   10    9   11   15   15                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13   12   14   14   43                                       
CONECT   14   13   13   15   44                                       
CONECT   15   10   10   14   16                                       
CONECT   16   15   17   45   46                                       
CONECT   17    9   16                                                 
CONECT   18    9   19                                                 
CONECT   19    7   18   20   39                                       
CONECT   20   19   21   22   47                                       
CONECT   21    6   20                                                 
CONECT   22   20   23   26                                            
CONECT   23   22   24   24   48                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   27   27                                       
CONECT   26   22   25   30   30                                       
CONECT   27   25   25   28   29                                       
CONECT   28   27   49   50                                            
CONECT   29   27   31   31                                            
CONECT   30   26   26   31                                            
CONECT   31   29   29   30   40                                       
CONECT   32    1   34                                                 
CONECT   33    2                                                      
CONECT   34   32                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   19                                                      
CONECT   40   31                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
