COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.895  -1.177  -0.018  1.00  0.00           N  
HETATM    2  C   UNL     1       1.733  -1.765   0.145  1.00  0.00           C  
HETATM    3  N   UNL     1       1.594  -3.130   0.335  1.00  0.00           N  
HETATM    4  C   UNL     1       0.660  -0.892   0.109  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.696  -1.237   0.255  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.725  -0.176   0.336  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.031  -0.433  -0.082  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.985   0.560  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.650   1.808   0.489  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.356   2.069   0.906  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.394   1.083   0.838  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.024  -2.410   0.313  1.00  0.00           O  
HETATM   13  S   UNL     1       1.298   0.729  -0.150  1.00  0.00           S  
HETATM   14  C   UNL     1       2.892   0.114  -0.187  1.00  0.00           C  
HETATM   15  N   UNL     1       4.021   0.880  -0.370  1.00  0.00           N  
HETATM   16  C   UNL     1       5.341   0.247  -0.383  1.00  0.00           C  
HETATM   17  C   UNL     1       6.400   1.298  -0.598  1.00  0.00           C  
HETATM   18  C   UNL     1       7.388   1.416   0.254  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.371   0.290  -0.448  1.00  0.00           N1+
HETATM   20  O   UNL     1      -5.668  -0.809  -0.882  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.215   1.165  -0.379  1.00  0.00           O1-
HETATM   22  H   UNL     1       2.379  -3.700   0.352  1.00  0.00           H  
HETATM   23  H   UNL     1       0.711  -3.517   0.451  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.294  -1.407  -0.468  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.400   2.583   0.549  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.101   3.046   1.290  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.386   1.286   1.168  1.00  0.00           H  
HETATM   28  H   UNL     1       3.941   1.840  -0.489  1.00  0.00           H  
HETATM   29  H   UNL     1       5.514  -0.254   0.570  1.00  0.00           H  
HETATM   30  H   UNL     1       5.386  -0.484  -1.191  1.00  0.00           H  
HETATM   31  H   UNL     1       6.344   1.953  -1.454  1.00  0.00           H  
HETATM   32  H   UNL     1       7.444   0.760   1.110  1.00  0.00           H  
HETATM   33  H   UNL     1       8.147   2.169   0.100  1.00  0.00           H  
CONECT    1    2   14   14                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2   22   23                                            
CONECT    4    2    2    5   13                                       
CONECT    5    4    6   12   12                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   24                                       
CONECT    8    7    9    9   19                                       
CONECT    9    8    8   10   25                                       
CONECT   10    9   11   11   26                                       
CONECT   11    6   10   10   27                                       
CONECT   12    5    5                                                 
CONECT   13    4   14                                                 
CONECT   14    1    1   13   15                                       
CONECT   15   14   16   28                                            
CONECT   16   15   17   29   30                                       
CONECT   17   16   18   18   31                                       
CONECT   18   17   17   32   33                                       
CONECT   19    8   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19                                                      
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
