COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.755   0.014  -0.044  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.252   0.175   1.102  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.910  -0.845  -1.119  1.00  0.00           O  
HETATM    4  S   UNL     1      -5.301  -0.804   0.164  1.00  0.00           S  
HETATM    5  C   UNL     1      -2.732  -0.203   0.860  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.038  -1.967   0.937  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.518   0.437   0.698  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.327   1.299  -0.373  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.357   1.515  -1.279  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.566   0.869  -1.115  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.099   1.949  -0.539  1.00  0.00           N  
HETATM   12  C   UNL     1       1.043   1.337  -0.168  1.00  0.00           C  
HETATM   13  O   UNL     1       1.017   0.186   0.223  1.00  0.00           O  
HETATM   14  N   UNL     1       2.215   2.001  -0.230  1.00  0.00           N  
HETATM   15  C   UNL     1       3.412   1.335   0.051  1.00  0.00           C  
HETATM   16  C   UNL     1       3.553  -0.008  -0.272  1.00  0.00           C  
HETATM   17  C   UNL     1       4.737  -0.664   0.006  1.00  0.00           C  
HETATM   18  C   UNL     1       5.781   0.016   0.605  1.00  0.00           C  
HETATM   19  C   UNL     1       5.644   1.354   0.929  1.00  0.00           C  
HETATM   20  C   UNL     1       4.465   2.016   0.648  1.00  0.00           C  
HETATM   21  N   UNL     1       4.889  -2.095  -0.338  1.00  0.00           N1+
HETATM   22  O   UNL     1       5.932  -2.673  -0.094  1.00  0.00           O  
HETATM   23  O   UNL     1       3.969  -2.695  -0.867  1.00  0.00           O1-
HETATM   24  H   UNL     1       2.738  -0.540  -0.740  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.216   0.164   0.994  1.00  0.00           H  
HETATM   26  H   UNL     1       6.706  -0.498   0.822  1.00  0.00           H  
HETATM   27  H   UNL     1       6.461   1.883   1.398  1.00  0.00           H  
HETATM   28  H   UNL     1       4.358   3.061   0.901  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.881  -0.874   1.693  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.719   0.267   1.405  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.211   2.186  -2.113  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.367   1.036  -1.819  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.069   2.840  -0.921  1.00  0.00           H  
HETATM   34  H   UNL     1       2.227   2.941  -0.469  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.845   0.761   1.760  1.00  0.00           H  
CONECT    1    4    5    5   10                                       
CONECT    2   25    4   35                                            
CONECT    3    4    4                                                 
CONECT    4    1    2    3    3                                       
CONECT    4    6    6                                                 
CONECT    5    1    1   29    7                                       
CONECT    6    4    4                                                 
CONECT    7    5    8    8   30                                       
CONECT    8    7    7    9   11                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9    1   32                                       
CONECT   11    8   12   33                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   34   15                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   24   17                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   26                                       
CONECT   19   18   20   20   27                                       
CONECT   20   19   19   15   28                                       
CONECT   21   17   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21                                                      
CONECT   24   16                                                      
CONECT   25    2                                                      
CONECT   26   18                                                      
CONECT   27   19                                                      
CONECT   28   20                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35    2                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
