COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.588  -1.574   1.997  1.00  0.00           C  
HETATM    2  C   UNL     1       1.111  -1.097   0.641  1.00  0.00           C  
HETATM    3  C   UNL     1       0.835  -2.148  -0.403  1.00  0.00           C  
HETATM    4  O   UNL     1       1.702  -3.157  -0.584  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.166  -2.083  -1.076  1.00  0.00           O  
HETATM    6  N   UNL     1       0.438   0.150   0.269  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.952   0.177   0.126  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.769   0.010   1.236  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.142   0.038   1.091  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.704   0.231  -0.157  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.892   0.398  -1.265  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.519   0.376  -1.127  1.00  0.00           C  
HETATM   13  S   UNL     1       1.323   1.526   0.018  1.00  0.00           S  
HETATM   14  C   UNL     1       1.877   1.401  -1.705  1.00  0.00           C  
HETATM   15  O   UNL     1       0.381   2.580   0.163  1.00  0.00           O  
HETATM   16  O   UNL     1       2.425   1.401   0.906  1.00  0.00           O  
HETATM   17  H   UNL     1       0.720  -0.784   2.736  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.471  -1.819   1.912  1.00  0.00           H  
HETATM   19  H   UNL     1       1.142  -2.460   2.309  1.00  0.00           H  
HETATM   20  H   UNL     1       2.185  -0.923   0.707  1.00  0.00           H  
HETATM   21  H   UNL     1       1.482  -3.807  -1.265  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.332  -0.142   2.212  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.779  -0.092   1.954  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.778   0.252  -0.268  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.334   0.549  -2.239  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.886   0.511  -1.991  1.00  0.00           H  
HETATM   27  H   UNL     1       1.019   1.498  -2.371  1.00  0.00           H  
HETATM   28  H   UNL     1       2.593   2.195  -1.916  1.00  0.00           H  
HETATM   29  H   UNL     1       2.351   0.432  -1.864  1.00  0.00           H  
CONECT    1    2   17   18   19                                       
CONECT    2    1    3    6   20                                       
CONECT    3    5    5    4    2                                       
CONECT    4    3   21                                                 
CONECT    5    3    3                                                 
CONECT    6    2    7   13                                            
CONECT    7    6   12   12    8                                       
CONECT    8    7    9    9   22                                       
CONECT    9   10    8    8   23                                       
CONECT   10   11   11    9   24                                       
CONECT   11   12   10   10   25                                       
CONECT   12    7    7   11   26                                       
CONECT   13    6   15   15   14                                       
CONECT   13   16   16                                                 
CONECT   14   13   27   28   29                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
