COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.393  -0.011  -0.080  1.00  0.00           S  
HETATM    2  O   UNL     1      -4.776  -1.264  -0.630  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.802   1.235  -0.628  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.901  -0.018   1.496  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.632   0.007  -0.061  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.931  -1.186  -0.055  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.551  -1.179  -0.040  1.00  0.00           C  
HETATM    8  C   UNL     1       0.137   0.035  -0.031  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.576   1.235  -0.038  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.955   1.214  -0.058  1.00  0.00           C  
HETATM   11  C   UNL     1       6.169   0.670   0.037  1.00  0.00           C  
HETATM   12  C   UNL     1       6.140  -0.719   0.036  1.00  0.00           C  
HETATM   13  C   UNL     1       5.008   1.388   0.025  1.00  0.00           C  
HETATM   14  C   UNL     1       3.779   0.721   0.011  1.00  0.00           C  
HETATM   15  C   UNL     1       2.386   1.166  -0.005  1.00  0.00           C  
HETATM   16  C   UNL     1       3.744  -0.686   0.009  1.00  0.00           C  
HETATM   17  C   UNL     1       4.941  -1.396   0.016  1.00  0.00           C  
HETATM   18  N   UNL     1       2.421  -1.066  -0.006  1.00  0.00           N  
HETATM   19  C   UNL     1       1.616   0.050  -0.015  1.00  0.00           C  
HETATM   20  H   UNL     1      -4.250  -0.012   2.215  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.849  -0.028   1.700  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.465  -2.125  -0.061  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.005  -2.111  -0.035  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.049   2.177  -0.031  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.508   2.141  -0.064  1.00  0.00           H  
HETATM   26  H   UNL     1       7.118   1.185   0.053  1.00  0.00           H  
HETATM   27  H   UNL     1       7.067  -1.273   0.050  1.00  0.00           H  
HETATM   28  H   UNL     1       5.038   2.468   0.026  1.00  0.00           H  
HETATM   29  H   UNL     1       2.038   2.188  -0.009  1.00  0.00           H  
HETATM   30  H   UNL     1       4.929  -2.476   0.015  1.00  0.00           H  
HETATM   31  H   UNL     1       2.103  -1.982  -0.011  1.00  0.00           H  
CONECT    1    5    4    3    3                                       
CONECT    1    2    2                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   20   21                                            
CONECT    5    6    6   10    1                                       
CONECT    6    7    5    5   22                                       
CONECT    7    8    8    6   23                                       
CONECT    8   19    7    7    9                                       
CONECT    9    8   10   10   24                                       
CONECT   10    9    9    5   25                                       
CONECT   11   13   13   12   26                                       
CONECT   12   11   17   17   27                                       
CONECT   13   11   11   14   28                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   19   19   29                                       
CONECT   16   14   14   17   18                                       
CONECT   17   12   12   16   30                                       
CONECT   18   16   19   31                                            
CONECT   19   15   15   18    8                                       
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
