COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.474   1.183  -0.164  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.741   1.691   0.047  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.657  -0.523  -0.116  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.293  -0.174  -0.351  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.836   0.839   0.071  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.384  -1.031  -0.323  1.00  0.00           C  
HETATM    7  C   UNL     1       1.702  -1.202   0.715  1.00  0.00           C  
HETATM    8  C   UNL     1       2.966   0.428  -0.102  1.00  0.00           C  
HETATM    9  C   UNL     1       1.091  -0.724  -0.586  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.192   2.751   0.465  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.374  -3.187  -0.475  1.00  0.00           C  
HETATM   12  N   UNL     1       2.805  -0.448   0.897  1.00  0.00           N  
HETATM   13  O   UNL     1       1.284  -2.076   1.444  1.00  0.00           O  
HETATM   14  O   UNL     1       1.995   0.334  -1.027  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.083   1.339   0.279  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.205  -2.365  -0.506  1.00  0.00           O  
HETATM   17  S   UNL     1       4.263   1.542  -0.193  1.00  0.00           S  
HETATM   18  H   UNL     1       0.377   1.849  -0.187  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.880   2.752   0.193  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.508  -1.189  -0.094  1.00  0.00           H  
HETATM   21  H   UNL     1       1.061  -1.533  -1.315  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.238   3.017   0.621  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.608   3.050   1.336  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.815   3.265  -0.419  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.862  -3.087   0.495  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.061  -2.872  -1.260  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.092  -4.227  -0.634  1.00  0.00           H  
HETATM   28  H   UNL     1       3.405  -0.529   1.655  1.00  0.00           H  
CONECT    1    2    4    4   18                                       
CONECT    2    5    5    1   19                                       
CONECT    3    5    6    6   20                                       
CONECT    4    1    1    6    9                                       
CONECT    5   15    2    2    3                                       
CONECT    6    3    3    4   16                                       
CONECT    7   13   13    9   12                                       
CONECT    8   12   14   17   17                                       
CONECT    9    7    4   14   21                                       
CONECT   10   15   22   23   24                                       
CONECT   11   16   25   26   27                                       
CONECT   12    7    8   28                                            
CONECT   13    7    7                                                 
CONECT   14    9    8                                                 
CONECT   15   10    5                                                 
CONECT   16    6   11                                                 
CONECT   17    8    8                                                 
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
