COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.186   0.096   0.686  1.00  0.00           C  
HETATM    2  C   UNL     1       6.770  -0.204   0.415  1.00  0.00           C  
HETATM    3  C   UNL     1       5.642  -0.444   0.198  1.00  0.00           C  
HETATM    4  C   UNL     1       4.227  -0.745  -0.073  1.00  0.00           C  
HETATM    5  O   UNL     1       3.462   0.461  -0.008  1.00  0.00           O  
HETATM    6  C   UNL     1       2.127   0.358  -0.236  1.00  0.00           C  
HETATM    7  C   UNL     1       1.324   1.489  -0.189  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.033   1.382  -0.421  1.00  0.00           C  
HETATM    9  C   UNL     1       1.564  -0.877  -0.523  1.00  0.00           C  
HETATM   10  C   UNL     1       0.206  -0.979  -0.755  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.592   0.148  -0.701  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.074   0.034  -0.954  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.767  -0.218   0.312  1.00  0.00           N  
HETATM   14  S   UNL     1      -4.408  -0.022   0.410  1.00  0.00           S  
HETATM   15  O   UNL     1      -4.775  -0.371   1.738  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.697   1.243  -0.168  1.00  0.00           O  
HETATM   17  N   UNL     1      -5.098  -1.157  -0.579  1.00  0.00           N  
HETATM   18  H   UNL     1       8.768  -0.823   0.636  1.00  0.00           H  
HETATM   19  H   UNL     1       8.556   0.802  -0.057  1.00  0.00           H  
HETATM   20  H   UNL     1       8.280   0.533   1.680  1.00  0.00           H  
HETATM   21  H   UNL     1       4.132  -1.182  -1.067  1.00  0.00           H  
HETATM   22  H   UNL     1       3.856  -1.451   0.670  1.00  0.00           H  
HETATM   23  H   UNL     1       1.761   2.452   0.031  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.658   2.261  -0.385  1.00  0.00           H  
HETATM   25  H   UNL     1       2.187  -1.758  -0.565  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.233  -1.941  -0.978  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.441   0.963  -1.390  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.262  -0.790  -1.642  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.264  -0.500   1.092  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.536  -1.771  -1.077  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.063  -1.206  -0.661  1.00  0.00           H  
CONECT    1    2   18   19   20                                       
CONECT    2    3    3    3    1                                       
CONECT    3    4    2    2    2                                       
CONECT    4    5    3   21   22                                       
CONECT    5    4    6                                                 
CONECT    6    9    9    5    7                                       
CONECT    7    6    8    8   23                                       
CONECT    8    7    7   11   24                                       
CONECT    9    6    6   10   25                                       
CONECT   10    9   11   11   26                                       
CONECT   11   10   10    8   12                                       
CONECT   12   11   13   27   28                                       
CONECT   13   12   14   29                                            
CONECT   14   17   13   16   16                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   30   31                                            
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
