COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.019   1.245   0.741  1.00  0.00           C  
HETATM    2  N   UNL     1       6.705   1.217   0.821  1.00  0.00           N  
HETATM    3  C   UNL     1       6.041   0.079   0.645  1.00  0.00           C  
HETATM    4  C   UNL     1       6.760  -1.097   0.373  1.00  0.00           C  
HETATM    5  C   UNL     1       8.161  -1.015   0.298  1.00  0.00           C  
HETATM    6  N   UNL     1       8.738   0.167   0.488  1.00  0.00           N  
HETATM    7  N   UNL     1       8.923  -2.140   0.033  1.00  0.00           N  
HETATM    8  N   UNL     1       5.856  -2.096   0.239  1.00  0.00           N  
HETATM    9  C   UNL     1       4.656  -1.620   0.408  1.00  0.00           C  
HETATM   10  N   UNL     1       4.718  -0.282   0.661  1.00  0.00           N  
HETATM   11  C   UNL     1       3.579   0.607   0.906  1.00  0.00           C  
HETATM   12  C   UNL     1       3.047   1.301  -0.362  1.00  0.00           C  
HETATM   13  C   UNL     1       1.644   0.967   0.180  1.00  0.00           C  
HETATM   14  O   UNL     1       2.306  -0.070   0.936  1.00  0.00           O  
HETATM   15  C   UNL     1       0.678   0.437  -0.882  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.590   0.170  -0.281  1.00  0.00           O  
HETATM   17  P   UNL     1      -1.849  -0.400  -1.107  1.00  0.00           P  
HETATM   18  O   UNL     1      -1.514  -1.881  -1.642  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.128   0.488  -2.257  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.140  -0.456  -0.147  1.00  0.00           O  
HETATM   21  P   UNL     1      -4.720  -0.622  -0.406  1.00  0.00           P  
HETATM   22  O   UNL     1      -5.110   0.163  -1.599  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.064  -2.176  -0.651  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.534  -0.089   0.877  1.00  0.00           O  
HETATM   25  P   UNL     1      -7.073   0.303   1.142  1.00  0.00           P  
HETATM   26  O   UNL     1      -7.953  -0.730   0.553  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.338   0.394   2.727  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.389   1.728   0.462  1.00  0.00           O  
HETATM   29  C   UNL     1       3.349   2.800  -0.418  1.00  0.00           C  
HETATM   30  O   UNL     1       2.921   3.325  -1.676  1.00  0.00           O  
HETATM   31  H   UNL     1       8.528   2.187   0.885  1.00  0.00           H  
HETATM   32  H   UNL     1       8.490  -2.998  -0.104  1.00  0.00           H  
HETATM   33  H   UNL     1       9.889  -2.071  -0.015  1.00  0.00           H  
HETATM   34  H   UNL     1       3.747  -2.200   0.356  1.00  0.00           H  
HETATM   35  H   UNL     1       3.739   1.283   1.745  1.00  0.00           H  
HETATM   36  H   UNL     1       3.297   0.781  -1.287  1.00  0.00           H  
HETATM   37  H   UNL     1       1.211   1.754   0.796  1.00  0.00           H  
HETATM   38  H   UNL     1       0.558   1.183  -1.668  1.00  0.00           H  
HETATM   39  H   UNL     1       1.078  -0.481  -1.311  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.320  -2.518  -0.941  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.834  -2.751   0.092  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.247   0.627   2.961  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.847   2.454   0.800  1.00  0.00           H  
HETATM   44  H   UNL     1       2.819   3.308   0.387  1.00  0.00           H  
HETATM   45  H   UNL     1       4.422   2.959  -0.304  1.00  0.00           H  
HETATM   46  H   UNL     1       3.082   4.273  -1.782  1.00  0.00           H  
CONECT    1    2    6    6   31                                       
CONECT    2    3    3    1                                            
CONECT    3   10    2    2    4                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5                                            
CONECT    7    5   32   33                                            
CONECT    8    9    9    4                                            
CONECT    9   10    8    8   34                                       
CONECT   10   11    3    9                                            
CONECT   11   14   12   10   35                                       
CONECT   12   29   13   11   36                                       
CONECT   13   15   14   12   37                                       
CONECT   14   13   11                                                 
CONECT   15   13   16   38   39                                       
CONECT   16   15   17                                                 
CONECT   17   19   19   16   20                                       
CONECT   17   18                                                      
CONECT   18   17   40                                                 
CONECT   19   17   17                                                 
CONECT   20   21   17                                                 
CONECT   21   24   22   22   23                                       
CONECT   21   20                                                      
CONECT   22   21   21                                                 
CONECT   23   21   41                                                 
CONECT   24   25   21                                                 
CONECT   25   26   26   28   27                                       
CONECT   25   24                                                      
CONECT   26   25   25                                                 
CONECT   27   25   42                                                 
CONECT   28   25   43                                                 
CONECT   29   30   12   44   45                                       
CONECT   30   29   46                                                 
CONECT   31    1                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   23                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
