COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.606   0.219   0.091  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.848   0.319   0.126  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.228   1.554   0.200  1.00  0.00           C  
HETATM    4  C   UNL     1       0.150   1.636   0.228  1.00  0.00           C  
HETATM    5  C   UNL     1       0.914   0.477   0.182  1.00  0.00           C  
HETATM    6  N   UNL     1       2.311   0.557   0.210  1.00  0.00           N  
HETATM    7  C   UNL     1       3.088   0.651  -0.883  1.00  0.00           C  
HETATM    8  O   UNL     1       2.680   0.676  -2.025  1.00  0.00           O  
HETATM    9  C   UNL     1       4.544   0.731  -0.481  1.00  0.00           C  
HETATM   10  C   UNL     1       4.505   1.080   1.025  1.00  0.00           C  
HETATM   11  C   UNL     1       3.116   0.541   1.437  1.00  0.00           C  
HETATM   12  C   UNL     1       0.289  -0.761   0.107  1.00  0.00           C  
HETATM   13  N   UNL     1       1.100  -1.998   0.058  1.00  0.00           N1+
HETATM   14  O   UNL     1       0.551  -3.084  -0.007  1.00  0.00           O1-
HETATM   15  O   UNL     1       2.316  -1.931   0.082  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.090  -0.836   0.085  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.074   0.272  -1.497  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.074   1.428   0.672  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.928  -1.089   0.544  1.00  0.00           O  
HETATM   20  H   UNL     1      -1.823   2.454   0.237  1.00  0.00           H  
HETATM   21  H   UNL     1       0.633   2.600   0.286  1.00  0.00           H  
HETATM   22  H   UNL     1       5.054   1.515  -1.040  1.00  0.00           H  
HETATM   23  H   UNL     1       5.032  -0.230  -0.637  1.00  0.00           H  
HETATM   24  H   UNL     1       4.566   2.157   1.178  1.00  0.00           H  
HETATM   25  H   UNL     1       5.299   0.565   1.566  1.00  0.00           H  
HETATM   26  H   UNL     1       2.669   1.189   2.190  1.00  0.00           H  
HETATM   27  H   UNL     1       3.204  -0.476   1.818  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.576  -1.799   0.027  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.406   0.347  -2.197  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.015   0.225  -1.728  1.00  0.00           H  
CONECT    1    2   17   18   18                                       
CONECT    1   19   19                                                 
CONECT    2    1    3    3   16                                       
CONECT    3    2    2    4   20                                       
CONECT    4    3    5    5   21                                       
CONECT    5    4    4    6   12                                       
CONECT    6    5    7   11                                            
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   22   23                                       
CONECT   10    9   11   24   25                                       
CONECT   11    6   10   26   27                                       
CONECT   12    5   13   16   16                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13                                                 
CONECT   16    2   12   12   28                                       
CONECT   17    1   29   30                                            
CONECT   18    1    1                                                 
CONECT   19    1    1                                                 
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
