COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.223  -1.936  -0.531  1.00  0.00           N  
HETATM    2  C   UNL     1       5.364  -1.260  -0.522  1.00  0.00           C  
HETATM    3  N   UNL     1       5.399   0.056  -0.375  1.00  0.00           N  
HETATM    4  C   UNL     1       4.278   0.753  -0.232  1.00  0.00           C  
HETATM    5  C   UNL     1       3.046   0.069  -0.238  1.00  0.00           C  
HETATM    6  C   UNL     1       3.062  -1.317  -0.394  1.00  0.00           C  
HETATM    7  C   UNL     1       0.609   3.899   1.531  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.459   1.535  -2.758  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.770  -1.880   2.928  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.584  -2.747  -0.765  1.00  0.00           C  
HETATM   11  C   UNL     1       1.774  -2.099  -0.408  1.00  0.00           C  
HETATM   12  N   UNL     1       6.553  -1.951  -0.669  1.00  0.00           N  
HETATM   13  N   UNL     1       4.320   2.127  -0.079  1.00  0.00           N  
HETATM   14  C   UNL     1       1.811   0.778  -0.087  1.00  0.00           C  
HETATM   15  C   UNL     1       0.798   1.359   0.037  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.590   1.232  -0.827  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.697   0.097   1.085  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.477   2.822   1.535  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.605   0.459  -1.829  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.813  -1.817   1.953  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.763  -1.569   0.025  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.619   1.111   0.149  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.647   0.336  -0.871  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.745  -0.810   1.041  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.727  -0.688   0.065  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.472   2.087   0.192  1.00  0.00           C  
HETATM   27  H   UNL     1       0.605   4.422   2.487  1.00  0.00           H  
HETATM   28  H   UNL     1       1.582   3.432   1.376  1.00  0.00           H  
HETATM   29  H   UNL     1       0.415   4.609   0.727  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.288   1.519  -3.466  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.460   2.483  -2.220  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.518   1.424  -3.297  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.944  -2.727   3.591  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.810  -2.003   2.426  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.760  -0.959   3.510  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.733  -3.312  -0.386  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.482  -3.361  -0.709  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.400  -2.464  -1.801  1.00  0.00           H  
HETATM   39  H   UNL     1       1.522  -2.403   0.608  1.00  0.00           H  
HETATM   40  H   UNL     1       0.975  -1.476  -0.809  1.00  0.00           H  
HETATM   41  H   UNL     1       1.893  -2.984  -1.033  1.00  0.00           H  
HETATM   42  H   UNL     1       6.544  -2.915  -0.776  1.00  0.00           H  
HETATM   43  H   UNL     1       7.396  -1.471  -0.664  1.00  0.00           H  
HETATM   44  H   UNL     1       5.172   2.589  -0.076  1.00  0.00           H  
HETATM   45  H   UNL     1       3.496   2.628   0.025  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.528   2.029  -1.554  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.934   0.004   1.844  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.282   2.112   2.338  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.450   3.288   1.689  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.577   2.809  -0.617  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1   12    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3   13    5                                       
CONECT    5    4    6    6   14                                       
CONECT    6    1    5    5   11                                       
CONECT    7   18   27   28   29                                       
CONECT    8   19   30   31   32                                       
CONECT    9   20   33   34   35                                       
CONECT   10   21   36   37   38                                       
CONECT   11    6   39   40   41                                       
CONECT   12    2   42   43                                            
CONECT   13    4   44   45                                            
CONECT   14    5   15   15   15                                       
CONECT   15   14   14   14   26                                       
CONECT   16   22   22   23   46                                       
CONECT   17   22   24   24   47                                       
CONECT   18    7   26   48   49                                       
CONECT   19    8   23                                                 
CONECT   20    9   24                                                 
CONECT   21   10   25                                                 
CONECT   22   16   16   17   26                                       
CONECT   23   16   19   25   25                                       
CONECT   24   17   17   20   25                                       
CONECT   25   21   23   23   24                                       
CONECT   26   15   18   22   50                                       
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
