COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.329   1.655  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1       4.047   2.396   0.767  1.00  0.00           C  
HETATM    3  C   UNL     1       5.437   2.572   0.575  1.00  0.00           C  
HETATM    4  C   UNL     1       1.978   2.368   1.412  1.00  0.00           C  
HETATM    5  N   UNL     1       6.010   2.015  -0.515  1.00  0.00           N  
HETATM    6  N   UNL     1       5.865   0.748  -2.498  1.00  0.00           N  
HETATM    7  N   UNL     1       3.964   1.132  -1.233  1.00  0.00           N  
HETATM    8  O   UNL     1      -0.684  -4.601   0.339  1.00  0.00           O  
HETATM    9  P   UNL     1       0.718  -4.342  -0.059  1.00  0.00           P  
HETATM   10  O   UNL     1       1.463  -5.741  -0.343  1.00  0.00           O  
HETATM   11  O   UNL     1       0.740  -3.441  -1.393  1.00  0.00           O  
HETATM   12  C   UNL     1       1.577  -3.458   1.285  1.00  0.00           C  
HETATM   13  O   UNL     1       2.931  -3.208   0.901  1.00  0.00           O  
HETATM   14  C   UNL     1       0.870  -2.129   1.555  1.00  0.00           C  
HETATM   15  O   UNL     1       0.889  -1.330   0.371  1.00  0.00           O  
HETATM   16  C   UNL     1       0.250  -0.060   0.516  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.201  -0.102  -0.025  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.510   1.293  -0.386  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.744   1.830  -0.461  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.881   2.995  -0.768  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.954   0.982  -0.162  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.220   1.827  -0.319  1.00  0.00           C  
HETATM   23  P   UNL     1      -6.683   0.802   0.043  1.00  0.00           P  
HETATM   24  O   UNL     1      -6.809  -0.363  -1.062  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.541   0.195   1.385  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.005   1.721   0.007  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.250   2.003  -0.650  1.00  0.00           C  
HETATM   28  C   UNL     1       0.899   0.999  -0.415  1.00  0.00           C  
HETATM   29  N   UNL     1       2.029   1.651   0.251  1.00  0.00           N  
HETATM   30  C   UNL     1       5.257   1.303  -1.401  1.00  0.00           C  
HETATM   31  O   UNL     1       6.102   3.211   1.372  1.00  0.00           O  
HETATM   32  N   UNL     1       3.167   2.800   1.715  1.00  0.00           N  
HETATM   33  H   UNL     1       1.086   2.544   1.994  1.00  0.00           H  
HETATM   34  H   UNL     1       5.342   0.238  -3.136  1.00  0.00           H  
HETATM   35  H   UNL     1       6.818   0.866  -2.636  1.00  0.00           H  
HETATM   36  H   UNL     1       1.058  -6.265  -1.048  1.00  0.00           H  
HETATM   37  H   UNL     1       1.628  -3.232  -1.712  1.00  0.00           H  
HETATM   38  H   UNL     1       1.563  -4.068   2.188  1.00  0.00           H  
HETATM   39  H   UNL     1       3.020  -2.670   0.102  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.163  -2.320   1.848  1.00  0.00           H  
HETATM   41  H   UNL     1       1.383  -1.601   2.358  1.00  0.00           H  
HETATM   42  H   UNL     1       0.271   0.269   1.555  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.259  -0.743  -0.905  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.883  -0.457   0.747  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.990   0.142  -0.856  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.891   0.607   0.859  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.184   2.667   0.375  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.282   2.202  -1.340  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.905  -0.037  -1.967  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.823   1.240   0.191  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.231   2.353  -1.682  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.150   2.847   0.032  1.00  0.00           H  
HETATM   53  H   UNL     1       1.213   0.545  -1.355  1.00  0.00           H  
HETATM   54  H   UNL     1       6.962   2.122  -0.668  1.00  0.00           H  
CONECT    1   29    7    2    2                                       
CONECT    2    1    1   32    3                                       
CONECT    3    2    5   31   31                                       
CONECT    4   29   32   32   33                                       
CONECT    5   30    3   54                                            
CONECT    6   30   34   35                                            
CONECT    7    1   30   30                                            
CONECT    8    9    9                                                 
CONECT    9    8    8   12   11                                       
CONECT    9   10                                                      
CONECT   10    9   36                                                 
CONECT   11    9   37                                                 
CONECT   12   13    9   14   38                                       
CONECT   13   12   39                                                 
CONECT   14   12   15   40   41                                       
CONECT   15   16   14                                                 
CONECT   16   17   15   28   42                                       
CONECT   17   18   16   43   44                                       
CONECT   18   19   17   27                                            
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   45   46                                       
CONECT   22   21   23   47   48                                       
CONECT   23   25   25   22   26                                       
CONECT   23   24                                                      
CONECT   24   23   49                                                 
CONECT   25   23   23                                                 
CONECT   26   23   50                                                 
CONECT   27   18   28   51   52                                       
CONECT   28   27   16   29   53                                       
CONECT   29   28    4    1                                            
CONECT   30    7    7    6    5                                       
CONECT   31    3    3                                                 
CONECT   32    4    4    2                                            
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54    5                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
