COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.171   1.066   0.913  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.457   1.438   0.567  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.875  -0.776  -0.263  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.733  -0.221   0.669  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.312   0.517  -0.022  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.582  -1.144   0.075  1.00  0.00           C  
HETATM    7  C   UNL     1       2.978  -0.981   0.148  1.00  0.00           C  
HETATM    8  C   UNL     1       3.626   1.202  -0.275  1.00  0.00           C  
HETATM    9  C   UNL     1       1.589  -0.469  -0.166  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.960   2.230  -0.076  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.085  -3.313  -0.758  1.00  0.00           C  
HETATM   12  C   UNL     1       0.669  -0.623   1.048  1.00  0.00           C  
HETATM   13  N   UNL     1       3.919  -0.056   0.061  1.00  0.00           N  
HETATM   14  O   UNL     1       3.206  -2.131   0.455  1.00  0.00           O  
HETATM   15  O   UNL     1       4.416   2.119  -0.380  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.578   0.881  -0.353  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.152  -2.411  -0.160  1.00  0.00           O  
HETATM   18  S   UNL     1       1.875   1.293  -0.540  1.00  0.00           S  
HETATM   19  H   UNL     1      -0.508   1.785   1.371  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.796   2.446   0.755  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.542  -1.497  -0.714  1.00  0.00           H  
HETATM   22  H   UNL     1       1.175  -0.985  -1.032  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.871   2.420   0.993  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.308   2.911  -0.622  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.992   2.387  -0.388  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.957  -3.415  -0.113  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.394  -2.924  -1.728  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.615  -4.287  -0.891  1.00  0.00           H  
HETATM   29  H   UNL     1       1.025   0.017   1.856  1.00  0.00           H  
HETATM   30  H   UNL     1       0.673  -1.661   1.378  1.00  0.00           H  
HETATM   31  H   UNL     1       4.841  -0.296   0.246  1.00  0.00           H  
CONECT    1    4    4    2   19                                       
CONECT    2    5    5    1   20                                       
CONECT    3    6    6    5   21                                       
CONECT    4    6   12    1    1                                       
CONECT    5    3   16    2    2                                       
CONECT    6   17    3    3    4                                       
CONECT    7   14   14    9   13                                       
CONECT    8   13   18   15   15                                       
CONECT    9   12    7   18   22                                       
CONECT   10   16   23   24   25                                       
CONECT   11   17   26   27   28                                       
CONECT   12    4    9   29   30                                       
CONECT   13    7    8   31                                            
CONECT   14    7    7                                                 
CONECT   15    8    8                                                 
CONECT   16   10    5                                                 
CONECT   17   11    6                                                 
CONECT   18    9    8                                                 
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
