COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.486  -0.678   0.460  1.00  0.00           C  
HETATM    2  C   UNL     1       3.213  -1.314  -0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       2.013  -0.422   0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       2.217   0.956  -0.413  1.00  0.00           C  
HETATM    5  N   UNL     1       0.790  -1.032  -0.322  1.00  0.00           N1+
HETATM    6  C   UNL     1      -0.376  -0.239   0.090  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.649  -0.874  -0.474  1.00  0.00           C  
HETATM    8  S   UNL     1      -3.089   0.105   0.034  1.00  0.00           S  
HETATM    9  O   UNL     1      -4.290  -0.511  -0.509  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.151   0.129   1.487  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.943   1.457  -0.483  1.00  0.00           O1-
HETATM   12  C   UNL     1       3.490   1.592   0.150  1.00  0.00           C  
HETATM   13  C   UNL     1       4.691   0.700  -0.171  1.00  0.00           C  
HETATM   14  H   UNL     1       4.392  -0.572   1.541  1.00  0.00           H  
HETATM   15  H   UNL     1       5.341  -1.314   0.231  1.00  0.00           H  
HETATM   16  H   UNL     1       3.308  -1.420  -1.183  1.00  0.00           H  
HETATM   17  H   UNL     1       3.068  -2.296   0.348  1.00  0.00           H  
HETATM   18  H   UNL     1       1.918  -0.316   1.300  1.00  0.00           H  
HETATM   19  H   UNL     1       2.312   0.850  -1.493  1.00  0.00           H  
HETATM   20  H   UNL     1       1.362   1.592  -0.184  1.00  0.00           H  
HETATM   21  H   UNL     1       0.843  -1.055  -1.329  1.00  0.00           H  
HETATM   22  H   UNL     1       0.699  -1.972   0.032  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.433  -0.214   1.178  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.277   0.777  -0.293  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.592  -0.899  -1.562  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.747  -1.890  -0.091  1.00  0.00           H  
HETATM   27  H   UNL     1       3.636   2.574  -0.300  1.00  0.00           H  
HETATM   28  H   UNL     1       3.395   1.698   1.231  1.00  0.00           H  
HETATM   29  H   UNL     1       5.597   1.153   0.230  1.00  0.00           H  
HETATM   30  H   UNL     1       4.785   0.594  -1.252  1.00  0.00           H  
CONECT    1   13    2   14   15                                       
CONECT    2    3    1   16   17                                       
CONECT    3    4    5    2   18                                       
CONECT    4   12    3   19   20                                       
CONECT    5    6    3   21   22                                       
CONECT    6    7    5   23   24                                       
CONECT    7    8    6   25   26                                       
CONECT    8    9    9   10   10                                       
CONECT    8   11    7                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8                                                      
CONECT   12    4   13   27   28                                       
CONECT   13   12    1   29   30                                       
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
