COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.788  -2.210  -0.002  1.00  0.00           N  
HETATM    2  C   UNL     1       3.518  -2.561  -0.001  1.00  0.00           C  
HETATM    3  N   UNL     1       2.549  -1.667   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.825  -0.366   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       4.160   0.041   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       5.143  -0.931  -0.001  1.00  0.00           C  
HETATM    7  N   UNL     1       1.804   0.570   0.001  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.951   0.899   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.610   0.690   1.198  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930   0.280   1.197  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.591   0.079   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.932   0.288  -1.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.612   0.697  -1.197  1.00  0.00           C  
HETATM   14  S   UNL     1      -6.273  -0.445  -0.001  1.00  0.00           S  
HETATM   15  O   UNL     1      -6.496  -1.079  -1.253  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.494  -1.089   1.247  1.00  0.00           O  
HETATM   17  N   UNL     1      -7.212   0.919   0.005  1.00  0.00           N  
HETATM   18  N   UNL     1       4.515   1.478   0.001  1.00  0.00           N1+
HETATM   19  O   UNL     1       4.661   2.069   1.056  1.00  0.00           O1-
HETATM   20  O   UNL     1       4.661   2.070  -1.054  1.00  0.00           O  
HETATM   21 CL   UNL     1       6.821  -0.486  -0.001  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.407   0.130   0.001  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.513   1.352   0.001  1.00  0.00           C  
HETATM   24  H   UNL     1       3.263  -3.611  -0.002  1.00  0.00           H  
HETATM   25  H   UNL     1       2.014   1.517   0.002  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.094   0.847   2.133  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.445   0.116   2.132  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.448   0.131  -2.132  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.096   0.860  -2.132  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.794   1.795   0.008  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.179   0.843   0.006  1.00  0.00           H  
HETATM   32  H   UNL     1       0.215  -0.469  -0.890  1.00  0.00           H  
HETATM   33  H   UNL     1       0.214  -0.470   0.890  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.321   1.952  -0.888  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.322   1.951   0.892  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   24                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   18                                       
CONECT    6    1    5    5   21                                       
CONECT    7    4   22   25                                            
CONECT    8    9    9   13   23                                       
CONECT    9    8    8   10   26                                       
CONECT   10    9   11   11   27                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   28                                       
CONECT   13    8   12   12   29                                       
CONECT   14   11   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   30   31                                            
CONECT   18    5   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21    6                                                      
CONECT   22    7   23   32   33                                       
CONECT   23    8   22   34   35                                       
CONECT   24    2                                                      
CONECT   25    7                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   22                                                      
CONECT   33   22                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
