COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.070   0.363  -0.001  1.00  0.00           C  
HETATM    2  S   UNL     1       2.846  -0.976  -0.007  1.00  0.00           S  
HETATM    3  C   UNL     1       1.311  -0.111   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       1.299   1.281   0.010  1.00  0.00           C  
HETATM    5  C   UNL     1       0.101   1.967   0.017  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.099   1.274   0.015  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.276   1.951   0.022  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.096  -0.128   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1       0.120  -0.817  -0.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.368  -0.872   0.005  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.361  -2.220  -0.003  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.424  -0.270   0.012  1.00  0.00           O  
HETATM   13  H   UNL     1       3.937   0.973   0.893  1.00  0.00           H  
HETATM   14  H   UNL     1       5.074  -0.062  -0.006  1.00  0.00           H  
HETATM   15  H   UNL     1       3.934   0.983  -0.887  1.00  0.00           H  
HETATM   16  H   UNL     1       2.231   1.826   0.011  1.00  0.00           H  
HETATM   17  H   UNL     1       0.100   3.047   0.024  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.619   2.152  -0.859  1.00  0.00           H  
HETATM   19  H   UNL     1       0.131  -1.896  -0.014  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.220  -2.663  -0.004  1.00  0.00           H  
CONECT    1    2   13   14   15                                       
CONECT    2    3    1                                                 
CONECT    3    9    2    4    4                                       
CONECT    4    3    3    5   16                                       
CONECT    5    6    6    4   17                                       
CONECT    6    8    7    5    5                                       
CONECT    7    6   18                                                 
CONECT    8   10    9    9    6                                       
CONECT    9    8    8    3   19                                       
CONECT   10   12   12   11    8                                       
CONECT   11   10   20                                                 
CONECT   12   10   10                                                 
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
