COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.533   0.696  -0.337  1.00  0.00           C  
HETATM    2  C   UNL     1       4.925   1.743   0.514  1.00  0.00           C  
HETATM    3  C   UNL     1       6.167   2.359   0.280  1.00  0.00           C  
HETATM    4  C   UNL     1       2.975   1.067   1.179  1.00  0.00           C  
HETATM    5  N   UNL     1       6.909   1.922  -0.732  1.00  0.00           N  
HETATM    6  N   UNL     1       5.344   0.328  -1.323  1.00  0.00           N  
HETATM    7  O   UNL     1      -8.228   2.716  -0.974  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.449   1.816  -0.183  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.084   1.609  -0.841  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.309   2.928  -0.835  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.310   0.567  -0.075  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.800   0.044   0.898  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.076   0.220  -0.473  1.00  0.00           O  
HETATM   14  P   UNL     1      -3.314  -0.900   0.398  1.00  0.00           P  
HETATM   15  O   UNL     1      -4.102  -2.299   0.280  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.270  -0.476   1.815  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.813  -1.081  -0.155  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.849  -1.928   0.473  1.00  0.00           C  
HETATM   19  C   UNL     1       0.466  -1.869  -0.306  1.00  0.00           C  
HETATM   20  O   UNL     1       1.088  -0.575  -0.145  1.00  0.00           O  
HETATM   21  C   UNL     1       1.485  -2.871   0.282  1.00  0.00           C  
HETATM   22  O   UNL     1       1.503  -4.075  -0.488  1.00  0.00           O  
HETATM   23  C   UNL     1       2.840  -2.138   0.172  1.00  0.00           C  
HETATM   24  O   UNL     1       3.737  -2.866  -0.669  1.00  0.00           O  
HETATM   25  C   UNL     1       2.480  -0.779  -0.469  1.00  0.00           C  
HETATM   26  N   UNL     1       3.300   0.290   0.107  1.00  0.00           N  
HETATM   27  N   UNL     1       3.932   1.915   1.419  1.00  0.00           N  
HETATM   28  C   UNL     1       6.498   0.934  -1.505  1.00  0.00           C  
HETATM   29  N   UNL     1       6.605   3.396   1.085  1.00  0.00           N  
HETATM   30  H   UNL     1       2.058   0.989   1.745  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.108   2.894  -0.616  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.312   2.234   0.814  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.965   0.859  -0.108  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.223   1.274  -1.869  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.336   2.780  -1.304  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.869   3.681  -1.389  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.169   3.262   0.194  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.170  -2.637  -0.623  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.682  -1.591   1.496  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.219  -2.953   0.485  1.00  0.00           H  
HETATM   41  H   UNL     1       0.292  -2.080  -1.361  1.00  0.00           H  
HETATM   42  H   UNL     1       1.250  -3.086   1.324  1.00  0.00           H  
HETATM   43  H   UNL     1       2.125  -4.740  -0.163  1.00  0.00           H  
HETATM   44  H   UNL     1       3.276  -1.990   1.160  1.00  0.00           H  
HETATM   45  H   UNL     1       3.949  -3.752  -0.344  1.00  0.00           H  
HETATM   46  H   UNL     1       2.616  -0.821  -1.550  1.00  0.00           H  
HETATM   47  H   UNL     1       7.133   0.610  -2.316  1.00  0.00           H  
HETATM   48  H   UNL     1       6.054   3.706   1.820  1.00  0.00           H  
HETATM   49  H   UNL     1       7.464   3.813   0.913  1.00  0.00           H  
CONECT    1   26    2    2    6                                       
CONECT    2   27    1    1    3                                       
CONECT    3    2   29    5    5                                       
CONECT    4   26   27   27   30                                       
CONECT    5    3    3   28                                            
CONECT    6    1   28   28                                            
CONECT    7    8   31                                                 
CONECT    8    9    7   32   33                                       
CONECT    9   10   11    8   34                                       
CONECT   10    9   35   36   37                                       
CONECT   11   13    9   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11                                                 
CONECT   14   16   16   15   13                                       
CONECT   14   17                                                      
CONECT   15   14   38                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   39   40                                       
CONECT   19   18   21   20   41                                       
CONECT   20   19   25                                                 
CONECT   21   19   22   23   42                                       
CONECT   22   21   43                                                 
CONECT   23   21   24   25   44                                       
CONECT   24   23   45                                                 
CONECT   25   20   23   26   46                                       
CONECT   26   25    4    1                                            
CONECT   27    4    4    2                                            
CONECT   28    6    6    5   47                                       
CONECT   29    3   48   49                                            
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
