COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.026   0.562  -0.112  1.00  0.00           C  
HETATM    2  C   UNL     1       3.190  -0.387  -1.110  1.00  0.00           C  
HETATM    3  C   UNL     1       4.199  -1.325  -1.010  1.00  0.00           C  
HETATM    4  C   UNL     1       5.044  -1.320   0.084  1.00  0.00           C  
HETATM    5  C   UNL     1       4.882  -0.375   1.081  1.00  0.00           C  
HETATM    6  C   UNL     1       0.481  -0.271   0.190  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.982  -0.909  -1.333  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.868   0.175   0.057  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.325   0.763   0.449  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.604   1.495  -0.256  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.827  -0.707   0.280  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.298   1.939  -0.337  1.00  0.00           C  
HETATM   13  C   UNL     1       0.749   1.055  -0.119  1.00  0.00           C  
HETATM   14  C   UNL     1       3.879   0.569   0.982  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.515  -1.535   1.008  1.00  0.00           O  
HETATM   16  O   UNL     1       2.034   1.486  -0.208  1.00  0.00           O  
HETATM   17  S   UNL     1      -3.535  -0.385   0.173  1.00  0.00           S  
HETATM   18  H   UNL     1       2.530  -0.392  -1.965  1.00  0.00           H  
HETATM   19  H   UNL     1       4.327  -2.064  -1.787  1.00  0.00           H  
HETATM   20  H   UNL     1       5.832  -2.055   0.161  1.00  0.00           H  
HETATM   21  H   UNL     1       5.546  -0.370   1.932  1.00  0.00           H  
HETATM   22  H   UNL     1       1.294  -0.961   0.364  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.636  -1.619  -1.425  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.590  -0.506  -2.123  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.419   2.182  -0.430  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.036  -1.739   0.524  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.092   2.970  -0.582  1.00  0.00           H  
HETATM   28  H   UNL     1       3.753   1.307   1.761  1.00  0.00           H  
CONECT    1   14   16    2    2                                       
CONECT    2    1    1    3   18                                       
CONECT    3    4    4    2   19                                       
CONECT    4    5    3    3   20                                       
CONECT    5   14   14    4   21                                       
CONECT    6   13   13   11   22                                       
CONECT    7   17   23   24                                            
CONECT    8   11   11   10   17                                       
CONECT    9   17   17                                                 
CONECT   10   12   12    8   25                                       
CONECT   11    6    8    8   26                                       
CONECT   12   13   10   10   27                                       
CONECT   13   16    6    6   12                                       
CONECT   14    5    5    1   28                                       
CONECT   15   17   17                                                 
CONECT   16    1   13                                                 
CONECT   17    8   15   15    7                                       
CONECT   17    9    9                                                 
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
