COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.260  -1.341   0.925  1.00  0.00           O  
HETATM    2  C   UNL     1       0.356  -0.230   0.449  1.00  0.00           C  
HETATM    3  C   UNL     1       1.709   0.310   0.062  1.00  0.00           C  
HETATM    4  C   UNL     1       2.783  -0.735   0.371  1.00  0.00           C  
HETATM    5  S   UNL     1       4.423  -0.032   0.045  1.00  0.00           S  
HETATM    6  C   UNL     1       1.722   0.629  -1.434  1.00  0.00           C  
HETATM    7  H   UNL     1       2.715  -1.027   1.419  1.00  0.00           H  
HETATM    8  H   UNL     1       2.630  -1.610  -0.261  1.00  0.00           H  
HETATM    9  H   UNL     1       0.957   1.373  -1.654  1.00  0.00           H  
HETATM   10  H   UNL     1       2.701   1.019  -1.714  1.00  0.00           H  
HETATM   11  H   UNL     1       1.518  -0.280  -2.001  1.00  0.00           H  
HETATM   12  H   UNL     1       5.253  -1.044   0.354  1.00  0.00           H  
HETATM   13  H   UNL     1       1.913   1.219   0.629  1.00  0.00           H  
HETATM   14  N   UNL     1      -0.748   0.520   0.261  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.124   0.117   0.586  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.507  -1.095  -0.223  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.716  -1.580  -0.997  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.727  -1.636  -0.084  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.775   1.884  -0.299  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.079   2.513   0.252  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.046   1.301   0.227  1.00  0.00           C  
HETATM   22  H   UNL     1      -2.202  -0.108   1.650  1.00  0.00           H  
HETATM   23  H   UNL     1       0.092   2.451   0.040  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.802   1.846  -1.388  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.475   1.168  -0.766  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.829   1.420   0.975  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.928  -2.413  -0.624  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.938   2.877   1.270  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.434   3.310  -0.401  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   14                                       
CONECT    3    2    4    6   13                                       
CONECT    4    3    5    7    8                                       
CONECT    5    4   12                                                 
CONECT    6    3    9   10   11                                       
CONECT    7    4                                                      
CONECT    8    4                                                      
CONECT    9    6                                                      
CONECT   10    6                                                      
CONECT   11    6                                                      
CONECT   12    5                                                      
CONECT   13    3                                                      
CONECT   14    2   15   19                                            
CONECT   15   14   16   21   22                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   27                                                 
CONECT   19   14   20   23   24                                       
CONECT   20   19   21   28   29                                       
CONECT   21   15   20   25   26                                       
CONECT   22   15                                                      
CONECT   23   19                                                      
CONECT   24   19                                                      
CONECT   25   21                                                      
CONECT   26   21                                                      
CONECT   27   18                                                      
CONECT   28   20                                                      
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
