COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.893   2.394  -0.787  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.452  -0.794  -1.202  1.00  0.00           C  
HETATM    3  O   UNL     1       2.975   3.044   0.082  1.00  0.00           O  
HETATM    4  O   UNL     1       0.424  -3.552  -0.143  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.934   1.088   0.627  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.379  -0.736   1.240  1.00  0.00           O  
HETATM    7  C   UNL     1       2.231  -0.461   0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       0.716   1.418  -0.083  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.151  -0.824  -0.159  1.00  0.00           C  
HETATM   10  O   UNL     1       4.417   1.359   0.165  1.00  0.00           O  
HETATM   11  O   UNL     1       2.622  -3.283   0.005  1.00  0.00           O  
HETATM   12  C   UNL     1       3.163   1.844   0.085  1.00  0.00           C  
HETATM   13  C   UNL     1       1.370  -2.793  -0.074  1.00  0.00           C  
HETATM   14  C   UNL     1       2.016   0.916   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.147  -1.332  -0.076  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.362   0.547  -0.162  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.662   1.053  -0.245  1.00  0.00           N  
HETATM   18  S   UNL     1      -2.941   0.136   0.269  1.00  0.00           S  
HETATM   19  H   UNL     1      -2.045   2.330  -1.864  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.778   2.827  -0.321  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.028   3.024  -0.579  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.741  -0.098  -1.989  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.623  -1.411  -1.548  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.300  -1.432  -0.952  1.00  0.00           H  
HETATM   25  H   UNL     1       3.236  -0.851   0.063  1.00  0.00           H  
HETATM   26  H   UNL     1       0.548   2.485  -0.085  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.992  -1.499  -0.221  1.00  0.00           H  
HETATM   28  H   UNL     1       5.135   2.005   0.219  1.00  0.00           H  
HETATM   29  H   UNL     1       2.719  -4.245   0.004  1.00  0.00           H  
CONECT    1   17   19   20   21                                       
CONECT    2   18   22   23   24                                       
CONECT    3   12   12                                                 
CONECT    4   13   13                                                 
CONECT    5   18   18                                                 
CONECT    6   18   18                                                 
CONECT    7   14   14   15   25                                       
CONECT    8   14   16   16   26                                       
CONECT    9   15   15   16   27                                       
CONECT   10   12   28                                                 
CONECT   11   13   29                                                 
CONECT   12    3    3   10   14                                       
CONECT   13    4    4   11   15                                       
CONECT   14    7    7    8   12                                       
CONECT   15    7    9    9   13                                       
CONECT   16    8    8    9   17                                       
CONECT   17    1   16   18                                            
CONECT   18    2    5    5    6                                       
CONECT   18    6   17                                                 
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
