COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.391   1.663  -0.426  1.00  0.00           C  
HETATM    2  C   UNL     1       6.608   1.050   0.535  1.00  0.00           C  
HETATM    3  C   UNL     1       5.366  -0.935   1.420  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.024   0.635   0.499  1.00  0.00           C  
HETATM    5  C   UNL     1       7.782   0.960  -1.550  1.00  0.00           C  
HETATM    6  C   UNL     1       3.298   0.272   1.656  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.010   1.865  -0.435  1.00  0.00           C  
HETATM    8  C   UNL     1       6.218  -0.266   0.372  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.505   2.199  -0.639  1.00  0.00           C  
HETATM   10  C   UNL     1       1.338  -0.270   0.585  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.245   1.131   0.197  1.00  0.00           C  
HETATM   12  C   UNL     1       1.990  -1.349  -0.037  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.527   0.692  -0.514  1.00  0.00           C  
HETATM   14  C   UNL     1       3.347  -1.562   0.256  1.00  0.00           C  
HETATM   15  C   UNL     1       6.610  -0.969  -0.752  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.065  -1.350  -0.729  1.00  0.00           C  
HETATM   17  C   UNL     1       7.396  -0.358  -1.711  1.00  0.00           C  
HETATM   18  N   UNL     1       3.951  -0.732   1.100  1.00  0.00           N1+
HETATM   19  N   UNL     1       2.025   0.507   1.416  1.00  0.00           N  
HETATM   20  N   UNL     1       4.041  -2.609  -0.326  1.00  0.00           N  
HETATM   21  N   UNL     1       1.076  -1.968  -0.823  1.00  0.00           N  
HETATM   22  N   UNL     1       0.043  -0.299   0.132  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.497  -1.568  -1.398  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.333   2.959   0.186  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.122  -1.921   1.022  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.797   3.509  -0.149  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.317   0.028   0.291  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.254  -0.206   0.326  1.00  0.00           O  
HETATM   29  P   UNL     1      -6.657  -0.868  -0.104  1.00  0.00           P  
HETATM   30  H   UNL     1       7.692   2.692  -0.301  1.00  0.00           H  
HETATM   31  H   UNL     1       6.302   1.599   1.413  1.00  0.00           H  
HETATM   32  H   UNL     1       5.585  -2.003   1.439  1.00  0.00           H  
HETATM   33  H   UNL     1       5.584  -0.502   2.396  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.914   0.947   1.538  1.00  0.00           H  
HETATM   35  H   UNL     1       8.389   1.440  -2.303  1.00  0.00           H  
HETATM   36  H   UNL     1       3.827   0.922   2.337  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.539   1.617  -1.387  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.776   2.115  -1.692  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.476   1.518   1.189  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.141   1.567  -0.727  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.272   0.191  -1.447  1.00  0.00           H  
HETATM   42  H   UNL     1       6.305  -1.997  -0.879  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.968  -1.632  -1.251  1.00  0.00           H  
HETATM   44  H   UNL     1       7.702  -0.907  -2.589  1.00  0.00           H  
HETATM   45  H   UNL     1       3.591  -3.206  -0.944  1.00  0.00           H  
HETATM   46  H   UNL     1       4.978  -2.746  -0.116  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.295   3.758  -0.357  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.962  -2.359   0.828  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.312   4.214  -0.599  1.00  0.00           H  
HETATM   50  O   UNL     1      -7.771   0.285  -0.252  1.00  0.00           O  
HETATM   51  H   UNL     1      -7.929   0.786   0.560  1.00  0.00           H  
CONECT    1    2    5    5   30                                       
CONECT    2    8    8    1   31                                       
CONECT    3   18    8   32   33                                       
CONECT    4   22    7   27   34                                       
CONECT    5    1    1   17   35                                       
CONECT    6   18   18   19   36                                       
CONECT    7   24    4    9   37                                       
CONECT    8    3    2    2   15                                       
CONECT    9    7   11   26   38                                       
CONECT   10   12   22   19   19                                       
CONECT   11   13   27    9   39                                       
CONECT   12   21   14   14   10                                       
CONECT   13   28   11   40   41                                       
CONECT   14   20   12   12   18                                       
CONECT   15    8   17   17   42                                       
CONECT   16   21   21   22   43                                       
CONECT   17   15   15    5   44                                       
CONECT   18   14    3    6    6                                       
CONECT   19   10   10    6                                            
CONECT   20   14   45   46                                            
CONECT   21   16   16   12                                            
CONECT   22   16   10    4                                            
CONECT   23   29   29                                                 
CONECT   24    7   47                                                 
CONECT   25   29   48                                                 
CONECT   26    9   49                                                 
CONECT   27    4   11                                                 
CONECT   28   29   13                                                 
CONECT   29   25   23   23   28                                       
CONECT   29   50                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29   51                                                 
CONECT   51   50                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
