COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.661   1.627  -0.041  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.025   0.979  -0.902  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.657   0.998  -0.725  1.00  0.00           C  
HETATM    4  N   UNL     1       4.343   2.041  -0.275  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.539  -0.980   1.453  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.783   0.909  -1.811  1.00  0.00           O  
HETATM    7  C   UNL     1       3.563   0.989  -0.190  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.061  -1.383  -0.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.726  -0.207  -0.780  1.00  0.00           C  
HETATM   10  N   UNL     1       2.173   0.979  -0.361  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.692  -1.380  -0.309  1.00  0.00           C  
HETATM   12  C   UNL     1       0.020  -0.186  -0.427  1.00  0.00           C  
HETATM   13  O   UNL     1       2.076  -1.209   0.004  1.00  0.00           O  
HETATM   14  C   UNL     1       1.487  -0.176  -0.247  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.162   0.055   0.473  1.00  0.00           N  
HETATM   16  S   UNL     1      -4.473  -0.221  -1.007  1.00  0.00           S  
HETATM   17  C   UNL     1      -6.647  -0.326   2.316  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.143   1.138   2.411  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.501   1.374   1.028  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.820  -1.551  -1.369  1.00  0.00           O  
HETATM   21  C   UNL     1       4.366  -0.126   0.101  1.00  0.00           C  
HETATM   22  C   UNL     1       5.648   0.296   0.182  1.00  0.00           C  
HETATM   23  C   UNL     1       6.849  -0.565   0.477  1.00  0.00           C  
HETATM   24  C   UNL     1       6.681  -1.222   1.848  1.00  0.00           C  
HETATM   25  C   UNL     1       6.975  -1.649  -0.596  1.00  0.00           C  
HETATM   26  C   UNL     1       8.110   0.301   0.477  1.00  0.00           C  
HETATM   27  H   UNL     1       6.445   2.197  -0.042  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.551   1.894  -1.133  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.112   1.925  -0.818  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.926  -1.862   0.942  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.683  -1.247   2.073  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.614  -2.306  -0.388  1.00  0.00           H  
HETATM   33  H   UNL     1       1.703   1.804  -0.561  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.174  -2.299  -0.075  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.613  -0.375   1.813  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.698  -0.788   3.302  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.976   1.823   2.572  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.404   1.240   3.205  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.597   1.974   1.137  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.209   1.881   0.373  1.00  0.00           H  
HETATM   41  H   UNL     1       4.021  -1.141   0.234  1.00  0.00           H  
HETATM   42  H   UNL     1       5.782  -1.839   1.848  1.00  0.00           H  
HETATM   43  H   UNL     1       7.549  -1.845   2.062  1.00  0.00           H  
HETATM   44  H   UNL     1       6.591  -0.450   2.613  1.00  0.00           H  
HETATM   45  H   UNL     1       7.095  -1.181  -1.573  1.00  0.00           H  
HETATM   46  H   UNL     1       7.843  -2.272  -0.382  1.00  0.00           H  
HETATM   47  H   UNL     1       6.076  -2.266  -0.596  1.00  0.00           H  
HETATM   48  H   UNL     1       8.021   1.073   1.242  1.00  0.00           H  
HETATM   49  H   UNL     1       8.979  -0.322   0.691  1.00  0.00           H  
HETATM   50  H   UNL     1       8.230   0.769  -0.500  1.00  0.00           H  
CONECT    1   22    4   27                                            
CONECT    2    9    9    3   28                                       
CONECT    3   12   12    2   29                                       
CONECT    4    1    7    7                                            
CONECT    5   15   17   30   31                                       
CONECT    6   16   16                                                 
CONECT    7   21    4    4   10                                       
CONECT    8   11   11    9   32                                       
CONECT    9    8   16    2    2                                       
CONECT   10   14    7   33                                            
CONECT   11    8    8   12   34                                       
CONECT   12   11   14    3    3                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   12   10                                       
CONECT   15   16   19    5                                            
CONECT   16   20   20    6    6                                       
CONECT   16    9   15                                                 
CONECT   17    5   18   35   36                                       
CONECT   18   19   17   37   38                                       
CONECT   19   15   18   39   40                                       
CONECT   20   16   16                                                 
CONECT   21   22   22    7   41                                       
CONECT   22   23   21   21    1                                       
CONECT   23   26   22   25   24                                       
CONECT   24   23   42   43   44                                       
CONECT   25   23   45   46   47                                       
CONECT   26   23   48   49   50                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
