COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.557   0.155  -0.577  1.00  0.00           O  
HETATM    2  C   UNL     1       5.335  -0.089  -1.071  1.00  0.00           C  
HETATM    3  C   UNL     1       4.478  -0.048  -0.008  1.00  0.00           C  
HETATM    4  C   UNL     1       5.327   0.236   1.099  1.00  0.00           C  
HETATM    5  C   UNL     1       4.913   0.394   2.539  1.00  0.00           C  
HETATM    6  C   UNL     1       4.979  -0.354  -2.511  1.00  0.00           C  
HETATM    7  C   UNL     1       3.008  -0.251  -0.007  1.00  0.00           C  
HETATM    8  C   UNL     1       2.180   0.649  -0.677  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.205  -0.833  -0.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.143  -1.815  -0.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.164   0.165   0.025  1.00  0.00           C  
HETATM   12  N   UNL     1       6.532   0.331   0.618  1.00  0.00           N  
HETATM   13  C   UNL     1       2.456  -1.344   0.659  1.00  0.00           C  
HETATM   14  C   UNL     1       1.092  -1.534   0.659  1.00  0.00           C  
HETATM   15  C   UNL     1       0.262  -0.630  -0.006  1.00  0.00           C  
HETATM   16  C   UNL     1       0.815   0.461  -0.677  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.838  -2.017  -0.030  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.375  -0.454   0.013  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.249  -2.688  -0.033  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.466  -2.199  -0.022  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.688  -0.881   0.023  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.669   0.001   0.032  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.934   1.537   0.062  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.197   2.285   0.001  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.977   1.867  -1.247  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.030   1.983   1.248  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.899   3.784  -0.063  1.00  0.00           C  
HETATM   28  H   UNL     1       4.952  -0.574   3.037  1.00  0.00           H  
HETATM   29  H   UNL     1       5.590   1.088   3.037  1.00  0.00           H  
HETATM   30  H   UNL     1       3.896   0.785   2.583  1.00  0.00           H  
HETATM   31  H   UNL     1       5.881  -0.320  -3.121  1.00  0.00           H  
HETATM   32  H   UNL     1       4.519  -1.338  -2.596  1.00  0.00           H  
HETATM   33  H   UNL     1       4.278   0.406  -2.858  1.00  0.00           H  
HETATM   34  H   UNL     1       2.609   1.493  -1.197  1.00  0.00           H  
HETATM   35  H   UNL     1       3.098  -2.043   1.174  1.00  0.00           H  
HETATM   36  H   UNL     1       0.664  -2.381   1.174  1.00  0.00           H  
HETATM   37  H   UNL     1       0.174   1.159  -1.195  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.095  -3.757  -0.055  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.705  -0.516   0.031  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.871   1.062   0.054  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.402   1.793   0.880  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.825   0.803  -1.431  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.039   2.060  -1.094  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.624   2.438  -2.105  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.689   2.610   2.072  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.080   2.191   1.043  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.912   0.933   1.518  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.306   4.000  -0.952  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.836   4.339  -0.109  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.343   4.083   0.826  1.00  0.00           H  
CONECT    1   12    2                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    4    2    2    7                                       
CONECT    4    5   12   12    3                                       
CONECT    5    4   28   29   30                                       
CONECT    6    2   31   32   33                                       
CONECT    7    8    3   13   13                                       
CONECT    8   16   16    7   34                                       
CONECT    9   17   15   11   11                                       
CONECT   10   17   17   19   18                                       
CONECT   11    9    9   18   23                                       
CONECT   12    4    4    1                                            
CONECT   13    7    7   14   35                                       
CONECT   14   15   15   13   36                                       
CONECT   15   16    9   14   14                                       
CONECT   16    8    8   15   37                                       
CONECT   17    9   10   10                                            
CONECT   18   10   11   22                                            
CONECT   19   10   20   20   38                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   39                                       
CONECT   22   18   21   21   40                                       
CONECT   23   11   24   41                                            
CONECT   24   27   23   26   25                                       
CONECT   25   24   42   43   44                                       
CONECT   26   24   45   46   47                                       
CONECT   27   24   48   49   50                                       
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
