COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.855  -1.697   0.261  1.00  0.00           N1+
HETATM    2  O   UNL     1       4.830  -1.227  -0.299  1.00  0.00           O  
HETATM    3  O   UNL     1       3.982  -2.654   1.003  1.00  0.00           O1-
HETATM    4  C   UNL     1       2.518  -1.100   0.045  1.00  0.00           C  
HETATM    5  C   UNL     1       2.391   0.280  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       1.146   0.851  -0.286  1.00  0.00           C  
HETATM    7  C   UNL     1       0.022   0.033  -0.361  1.00  0.00           C  
HETATM    8  C   UNL     1       0.155  -1.361  -0.232  1.00  0.00           C  
HETATM    9  C   UNL     1       1.409  -1.917  -0.034  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.985  -2.150  -0.311  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.192  -1.592  -0.507  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.369  -0.268  -0.637  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.327   0.588  -0.575  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.496   1.787  -0.693  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.661   0.236  -0.840  1.00  0.00           N  
HETATM   16  S   UNL     1      -4.602   0.648   0.458  1.00  0.00           S  
HETATM   17  O   UNL     1      -5.778   1.196  -0.123  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.656  -0.535   1.242  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.655   1.937   1.313  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.165  -2.318  -0.571  1.00  0.00           O  
HETATM   21  N   UNL     1       3.530   1.097  -0.006  1.00  0.00           N  
HETATM   22  C   UNL     1       4.419   1.148   1.020  1.00  0.00           C  
HETATM   23  N   UNL     1       5.341   2.024   0.728  1.00  0.00           N  
HETATM   24  C   UNL     1       5.082   2.557  -0.476  1.00  0.00           C  
HETATM   25  C   UNL     1       3.959   1.988  -0.954  1.00  0.00           C  
HETATM   26  H   UNL     1       1.047   1.922  -0.384  1.00  0.00           H  
HETATM   27  H   UNL     1       1.518  -2.987   0.062  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.910  -3.113  -0.224  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.003   0.343  -1.742  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.498   2.780   0.640  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.207   2.272   2.191  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.690   1.534   1.622  1.00  0.00           H  
HETATM   33  H   UNL     1       4.370   0.563   1.926  1.00  0.00           H  
HETATM   34  H   UNL     1       5.674   3.309  -0.976  1.00  0.00           H  
HETATM   35  H   UNL     1       3.486   2.197  -1.903  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1                                                      
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    6   21                                       
CONECT    6    5    7    7   26                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8   27                                       
CONECT   10    8   11   28                                            
CONECT   11   10   12   20   20                                       
CONECT   12   11   13   15                                            
CONECT   13    7   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   29                                            
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   30   31   32                                       
CONECT   20   11   11                                                 
CONECT   21    5   22   25                                            
CONECT   22   21   23   23   33                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   25   34                                       
CONECT   25   21   24   24   35                                       
CONECT   26    6                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   15                                                      
CONECT   30   19                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   22                                                      
CONECT   34   24                                                      
CONECT   35   25                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
