COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.106  -0.177  -3.448  1.00  0.00           C  
HETATM    2  O   UNL     1       2.706   1.560  -0.690  1.00  0.00           O  
HETATM    3  C   UNL     1       1.028   1.541   1.024  1.00  0.00           C  
HETATM    4  C   UNL     1       1.669   0.764  -0.114  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.027   0.312   2.955  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.198   0.180   3.691  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.147  -0.283   4.991  1.00  0.00           C  
HETATM    8  C   UNL     1       0.071  -0.619   5.561  1.00  0.00           C  
HETATM    9  C   UNL     1       1.241  -0.482   4.828  1.00  0.00           C  
HETATM   10  C   UNL     1       1.192  -0.023   3.527  1.00  0.00           C  
HETATM   11  O   UNL     1       1.519   0.119  -5.545  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.961  -0.298  -5.757  1.00  0.00           O  
HETATM   13  N   UNL     1       0.596  -2.146  -5.311  1.00  0.00           N  
HETATM   14  S   UNL     1       0.310  -0.522  -5.164  1.00  0.00           S  
HETATM   15  C   UNL     1       1.039   0.163  -2.530  1.00  0.00           C  
HETATM   16  C   UNL     1       0.672   0.396  -1.201  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.655   0.266  -0.928  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.389  -0.185  -2.468  1.00  0.00           S  
HETATM   19  S   UNL     1      -1.397   0.519   0.637  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.092   1.757   0.557  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.955  -0.728   1.025  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.078   0.782   1.638  1.00  0.00           N  
HETATM   23  O   UNL     1       0.120  -1.076   6.841  1.00  0.00           O  
HETATM   24  C   UNL     1       1.495  -1.331   7.136  1.00  0.00           C  
HETATM   25  H   UNL     1       3.092   1.040  -1.408  1.00  0.00           H  
HETATM   26  H   UNL     1       0.642   2.485   0.639  1.00  0.00           H  
HETATM   27  H   UNL     1       1.782   1.749   1.783  1.00  0.00           H  
HETATM   28  H   UNL     1       2.108  -0.149   0.286  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.147   0.441   3.247  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.057  -0.386   5.563  1.00  0.00           H  
HETATM   31  H   UNL     1       2.190  -0.743   5.273  1.00  0.00           H  
HETATM   32  H   UNL     1       2.103   0.079   2.956  1.00  0.00           H  
HETATM   33  H   UNL     1       0.737  -2.536  -6.188  1.00  0.00           H  
HETATM   34  H   UNL     1       0.624  -2.707  -4.521  1.00  0.00           H  
HETATM   35  H   UNL     1       2.074   0.257  -2.825  1.00  0.00           H  
HETATM   36  H   UNL     1       1.584  -1.702   8.157  1.00  0.00           H  
HETATM   37  H   UNL     1       1.882  -2.078   6.443  1.00  0.00           H  
HETATM   38  H   UNL     1       2.066  -0.409   7.033  1.00  0.00           H  
CONECT    1   14   15   15   18                                       
CONECT    2    4   25                                                 
CONECT    3    4   22   26   27                                       
CONECT    4    2    3   16   28                                       
CONECT    5    6    6   10   22                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8   10   10   31                                       
CONECT   10    5    9    9   32                                       
CONECT   11   14   14                                                 
CONECT   12   14   14                                                 
CONECT   13   14   33   34                                            
CONECT   14    1   11   11   12                                       
CONECT   14   12   13                                                 
CONECT   15    1    1   16   35                                       
CONECT   16    4   15   17   17                                       
CONECT   17   16   16   18   19                                       
CONECT   18    1   17                                                 
CONECT   19   17   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    3    5   19                                            
CONECT   23    8   24                                                 
CONECT   24   23   36   37   38                                       
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   24                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
