COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.188  -0.042   0.164  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.137  -0.849  -0.086  1.00  0.00           C  
HETATM    3  C   UNL     1       0.232  -0.326   0.023  1.00  0.00           C  
HETATM    4  N   UNL     1       6.308  -0.509  -0.214  1.00  0.00           N1+
HETATM    5  C   UNL     1       1.339  -1.040  -0.208  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.322  -2.009  -0.402  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.576   0.266  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.685  -1.909   0.453  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.478  -0.564   0.175  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.965  -2.424   0.464  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.052  -1.607   0.197  1.00  0.00           C  
HETATM   12  O   UNL     1       6.485  -1.669  -0.541  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.866  -0.270  -0.082  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.433   2.514  -0.535  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.371   1.697  -0.386  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.244   2.140  -0.493  1.00  0.00           O  
HETATM   17  C   UNL     1       2.550  -0.347  -0.053  1.00  0.00           C  
HETATM   18  C   UNL     1       2.361   0.989   0.323  1.00  0.00           C  
HETATM   19  C   UNL     1       3.468   1.821   0.520  1.00  0.00           C  
HETATM   20  C   UNL     1       4.740   1.331   0.345  1.00  0.00           C  
HETATM   21  C   UNL     1       4.933   0.006  -0.028  1.00  0.00           C  
HETATM   22  C   UNL     1       3.873  -0.822  -0.224  1.00  0.00           C  
HETATM   23  O   UNL     1       7.263   0.227  -0.040  1.00  0.00           O1-
HETATM   24  S   UNL     1       0.639   1.322   0.468  1.00  0.00           S  
HETATM   25  H   UNL     1      -2.045   0.901   0.340  1.00  0.00           H  
HETATM   26  H   UNL     1       1.304  -2.081  -0.495  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.843  -2.552   0.662  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.121  -3.470   0.681  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.050  -2.020   0.207  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.717   0.362  -0.288  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.332   2.161  -0.450  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.298   3.455  -0.726  1.00  0.00           H  
HETATM   33  H   UNL     1       3.323   2.851   0.810  1.00  0.00           H  
HETATM   34  H   UNL     1       5.592   1.977   0.497  1.00  0.00           H  
HETATM   35  H   UNL     1       4.041  -1.849  -0.513  1.00  0.00           H  
CONECT    1    2    9   25                                            
CONECT    2    3    6    6    1                                       
CONECT    3    5    5   24    2                                       
CONECT    4   12   12   23   21                                       
CONECT    5   17    3    3   26                                       
CONECT    6    2    2                                                 
CONECT    7   15    9    9   13                                       
CONECT    8    9   10   10   27                                       
CONECT    9    1    7    7    8                                       
CONECT   10    8    8   11   28                                       
CONECT   11   13   13   10   29                                       
CONECT   12    4    4                                                 
CONECT   13    7   11   11   30                                       
CONECT   14   15   31   32                                            
CONECT   15   14   16   16    7                                       
CONECT   16   15   15                                                 
CONECT   17   22    5   18   18                                       
CONECT   18   17   17   19   24                                       
CONECT   19   20   20   18   33                                       
CONECT   20   21   19   19   34                                       
CONECT   21    4   22   22   20                                       
CONECT   22   21   21   17   35                                       
CONECT   23    4                                                      
CONECT   24   18    3                                                 
CONECT   25    1                                                      
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
