COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.945   1.904  -0.779  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.036   2.016   0.009  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.875   3.163   0.688  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.088   0.867   0.235  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.479  -0.262  -0.613  1.00  0.00           N  
HETATM    6  S   UNL     1      -2.447  -1.459  -0.004  1.00  0.00           S  
HETATM    7  O   UNL     1      -1.881  -1.837   1.243  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.916  -0.774   0.338  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.670  -2.375  -1.067  1.00  0.00           O  
HETATM   10  C   UNL     1       0.335   1.303  -0.120  1.00  0.00           C  
HETATM   11  C   UNL     1       1.314   0.179   0.226  1.00  0.00           C  
HETATM   12  C   UNL     1       2.737   0.615  -0.130  1.00  0.00           C  
HETATM   13  N   UNL     1       3.674  -0.461   0.202  1.00  0.00           N  
HETATM   14  C   UNL     1       5.019  -0.296  -0.031  1.00  0.00           C  
HETATM   15  N   UNL     1       5.460   0.817  -0.547  1.00  0.00           N  
HETATM   16  N   UNL     1       5.899  -1.306   0.280  1.00  0.00           N  
HETATM   17  H   UNL     1      -2.510   3.870   0.513  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.125   0.565   1.281  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.170  -0.308  -1.532  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.062   0.170   0.168  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.630  -1.317   0.708  1.00  0.00           H  
HETATM   22  H   UNL     1       0.393   1.520  -1.187  1.00  0.00           H  
HETATM   23  H   UNL     1       0.593   2.197   0.447  1.00  0.00           H  
HETATM   24  H   UNL     1       1.256  -0.038   1.292  1.00  0.00           H  
HETATM   25  H   UNL     1       1.056  -0.715  -0.342  1.00  0.00           H  
HETATM   26  H   UNL     1       2.795   0.832  -1.196  1.00  0.00           H  
HETATM   27  H   UNL     1       2.995   1.510   0.438  1.00  0.00           H  
HETATM   28  H   UNL     1       3.346  -1.289   0.585  1.00  0.00           H  
HETATM   29  H   UNL     1       6.410   0.933  -0.711  1.00  0.00           H  
HETATM   30  H   UNL     1       5.571  -2.134   0.663  1.00  0.00           H  
HETATM   31  H   UNL     1       6.848  -1.190   0.115  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   17                                                 
CONECT    4    2    5   10   18                                       
CONECT    5    4    6   19                                            
CONECT    6    9    9    8    5                                       
CONECT    6    7    7                                                 
CONECT    7    6    6                                                 
CONECT    8    6   20   21                                            
CONECT    9    6    6                                                 
CONECT   10    4   11   22   23                                       
CONECT   11   10   12   24   25                                       
CONECT   12   11   13   26   27                                       
CONECT   13   14   12   28                                            
CONECT   14   15   15   13   16                                       
CONECT   15   14   14   29                                            
CONECT   16   14   30   31                                            
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
