COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.816  -2.567   0.004  1.00  0.00           O  
HETATM    2  C   UNL     1       1.561  -1.378   0.006  1.00  0.00           C  
HETATM    3  C   UNL     1       2.657  -0.387   0.003  1.00  0.00           C  
HETATM    4  S   UNL     1       2.435   1.357   0.013  1.00  0.00           S  
HETATM    5  C   UNL     1       4.182   1.588   0.003  1.00  0.00           C  
HETATM    6  C   UNL     1       4.960   2.746   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       6.332   2.653  -0.006  1.00  0.00           C  
HETATM    8  C   UNL     1       6.945   1.406  -0.016  1.00  0.00           C  
HETATM    9  C   UNL     1       6.206   0.265  -0.016  1.00  0.00           C  
HETATM   10  C   UNL     1       4.793   0.325  -0.007  1.00  0.00           C  
HETATM   11  N   UNL     1       3.914  -0.678   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       0.278  -0.964   0.004  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.749  -1.893   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.528  -3.583  -0.002  1.00  0.00           S  
HETATM   15  C   UNL     1      -2.256  -3.887  -0.006  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.935  -2.749  -0.006  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.085  -1.579   0.004  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.595  -0.205   0.006  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.819   0.732   0.015  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.924   0.020  -0.002  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.393   1.283   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.619   2.219   0.009  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.720   1.508  -0.007  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.154   2.894  -0.005  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.683   2.949  -0.014  1.00  0.00           C  
HETATM   26  H   UNL     1       4.484   3.715   0.011  1.00  0.00           H  
HETATM   27  H   UNL     1       6.933   3.550  -0.006  1.00  0.00           H  
HETATM   28  H   UNL     1       8.023   1.343  -0.023  1.00  0.00           H  
HETATM   29  H   UNL     1       6.702  -0.694  -0.025  1.00  0.00           H  
HETATM   30  H   UNL     1       0.075  -0.016   0.005  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.705  -4.869  -0.009  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.014  -2.700  -0.005  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.542  -0.728  -0.009  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.778   3.390   0.890  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.767   3.397  -0.890  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.059   2.453  -0.909  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.071   2.445   0.871  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.009   3.990  -0.012  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   12    1    1    3                                       
CONECT    3    4    2   11   11                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    8   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9   10   10    8   29                                       
CONECT   10    5   11    9    9                                       
CONECT   11    3    3   10                                            
CONECT   12   13    2   30                                            
CONECT   13   17   17   14   12                                       
CONECT   14   15   13                                                 
CONECT   15   16   16   14   31                                       
CONECT   16   17   15   15   32                                       
CONECT   17   18   16   13   13                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   33                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25   34   35                                       
CONECT   25   24   36   37   38                                       
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   20                                                      
CONECT   34   24                                                      
CONECT   35   24                                                      
CONECT   36   25                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
