COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.363   4.230   0.040  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.511   3.479   0.050  1.00  0.00           C  
HETATM    3  C   UNL     1       0.563   2.531   0.064  1.00  0.00           C  
HETATM    4  C   UNL     1       1.900   2.964   0.163  1.00  0.00           C  
HETATM    5  N   UNL     1       2.175   4.316   0.249  1.00  0.00           N  
HETATM    6  N   UNL     1       2.890   2.097   0.176  1.00  0.00           N  
HETATM    7  C   UNL     1       2.696   0.775   0.097  1.00  0.00           C  
HETATM    8  S   UNL     1       3.875  -0.533   0.098  1.00  0.00           S  
HETATM    9  C   UNL     1       2.631  -1.759  -0.037  1.00  0.00           C  
HETATM   10  C   UNL     1       2.879  -3.150  -0.093  1.00  0.00           C  
HETATM   11  N   UNL     1       4.145  -3.611  -0.043  1.00  0.00           N  
HETATM   12  O   UNL     1       1.950  -3.932  -0.186  1.00  0.00           O  
HETATM   13  C   UNL     1       1.396  -1.196  -0.079  1.00  0.00           C  
HETATM   14  N   UNL     1       0.230  -1.941  -0.184  1.00  0.00           N  
HETATM   15  C   UNL     1       1.402   0.253  -0.004  1.00  0.00           C  
HETATM   16  C   UNL     1       0.301   1.155  -0.016  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.086   0.654  -0.115  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.857   0.948  -1.242  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.150   0.478  -1.331  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.626  -0.121   0.914  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.919  -0.586   0.817  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.685  -0.287  -0.302  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.959  -0.747  -0.393  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.447  -1.528   0.700  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.889  -1.954   0.419  1.00  0.00           C  
HETATM   26  H   UNL     1       1.450   4.960   0.241  1.00  0.00           H  
HETATM   27  H   UNL     1       3.094   4.621   0.318  1.00  0.00           H  
HETATM   28  H   UNL     1       4.885  -2.989   0.031  1.00  0.00           H  
HETATM   29  H   UNL     1       4.316  -4.565  -0.082  1.00  0.00           H  
HETATM   30  H   UNL     1       0.275  -2.909  -0.231  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.631  -1.494  -0.211  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.442   1.543  -2.041  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.031  -0.354   1.784  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.747   0.706  -2.201  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.337  -1.186   1.613  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.823  -2.413   0.821  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.415  -0.934   1.613  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.513  -1.068   0.298  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.921  -2.548  -0.495  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.261  -2.549   1.253  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4   16   16                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4   26   27                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8   15   15                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   13   13                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   28   29                                            
CONECT   12   10   10                                                 
CONECT   13    9    9   14   15                                       
CONECT   14   13   30   31                                            
CONECT   15    7    7   13   16                                       
CONECT   16    3    3   15   17                                       
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   19   32                                       
CONECT   19   18   18   22   34                                       
CONECT   20   17   17   21   33                                       
CONECT   21   20   22   22   35                                       
CONECT   22   19   21   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   36   37                                       
CONECT   25   24   38   39   40                                       
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   18                                                      
CONECT   33   20                                                      
CONECT   34   19                                                      
CONECT   35   21                                                      
CONECT   36   24                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
