COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.019   1.376   0.837  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.407  -0.217  -0.767  1.00  0.00           C  
HETATM    3  C   UNL     1       3.196  -1.720   1.517  1.00  0.00           C  
HETATM    4  C   UNL     1       4.500  -0.958   1.766  1.00  0.00           C  
HETATM    5  C   UNL     1       4.970  -0.323   0.455  1.00  0.00           C  
HETATM    6  C   UNL     1       3.903   0.607  -0.062  1.00  0.00           C  
HETATM    7  C   UNL     1       2.539   0.354   0.216  1.00  0.00           C  
HETATM    8  C   UNL     1       2.155  -0.770   0.985  1.00  0.00           C  
HETATM    9  C   UNL     1       1.560   1.225  -0.273  1.00  0.00           C  
HETATM   10  C   UNL     1       0.135   0.895  -0.113  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.685   1.692   0.693  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.548   0.274   0.188  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.743  -0.519  -0.612  1.00  0.00           C  
HETATM   14  O   UNL     1       0.980  -0.971   1.215  1.00  0.00           O  
HETATM   15  O   UNL     1       4.215   1.577  -0.720  1.00  0.00           O  
HETATM   16  O   UNL     1       1.922   2.365  -0.891  1.00  0.00           O  
HETATM   17  N   UNL     1       0.452  -1.067  -1.622  1.00  0.00           N1+
HETATM   18  O   UNL     1       1.603  -0.738  -1.847  1.00  0.00           O  
HETATM   19  O   UNL     1       0.007  -2.095  -2.101  1.00  0.00           O1-
HETATM   20  S   UNL     1      -4.254  -0.121   0.379  1.00  0.00           S  
HETATM   21  O   UNL     1      -4.317  -1.522   0.149  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.602   0.431   1.642  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.081   0.782  -0.959  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.653   1.988   1.463  1.00  0.00           H  
HETATM   25  H   UNL     1       3.372  -2.513   0.790  1.00  0.00           H  
HETATM   26  H   UNL     1       2.846  -2.156   2.453  1.00  0.00           H  
HETATM   27  H   UNL     1       4.330  -0.178   2.508  1.00  0.00           H  
HETATM   28  H   UNL     1       5.261  -1.648   2.131  1.00  0.00           H  
HETATM   29  H   UNL     1       5.887   0.240   0.632  1.00  0.00           H  
HETATM   30  H   UNL     1       5.159  -1.105  -0.280  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.274   2.553   1.200  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.163  -1.377  -1.116  1.00  0.00           H  
HETATM   33  H   UNL     1       1.210   2.935  -1.212  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.895   1.850  -0.846  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.691   0.445  -1.920  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.154   0.593  -0.916  1.00  0.00           H  
CONECT    1   12   12   11   24                                       
CONECT    2   13   13   10   17                                       
CONECT    3    8    4   25   26                                       
CONECT    4    5    3   27   28                                       
CONECT    5    6    4   29   30                                       
CONECT    6   15   15    7    5                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   14   14    3                                       
CONECT    9   16   10    7    7                                       
CONECT   10   11   11    2    9                                       
CONECT   11    1   10   10   31                                       
CONECT   12   20    1    1   13                                       
CONECT   13   12    2    2   32                                       
CONECT   14    8    8                                                 
CONECT   15    6    6                                                 
CONECT   16    9   33                                                 
CONECT   17    2   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   17                                                      
CONECT   20   23   21   21   22                                       
CONECT   20   22   12                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   34   35   36                                       
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
