COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.204  -0.411  -0.273  1.00  0.00           N  
HETATM    2  C   UNL     1       5.845  -0.169  -0.213  1.00  0.00           C  
HETATM    3  N   UNL     1       5.184   0.933  -0.526  1.00  0.00           N  
HETATM    4  C   UNL     1       3.879   1.003  -0.412  1.00  0.00           C  
HETATM    5  C   UNL     1       3.136   2.264  -0.771  1.00  0.00           C  
HETATM    6  S   UNL     1       4.570  -1.235   0.291  1.00  0.00           S  
HETATM    7  C   UNL     1       3.209  -0.103   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       1.767  -0.303   0.272  1.00  0.00           C  
HETATM    9  N   UNL     1       0.900   0.682   0.032  1.00  0.00           N  
HETATM   10  C   UNL     1       1.283  -1.531   0.746  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.076  -1.671   0.942  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.879  -0.649   0.677  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.396   0.501   0.229  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.271   1.542  -0.034  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.651   1.337   0.062  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.479   2.367   0.491  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.197   0.106  -0.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.560  -0.095  -0.176  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.142  -1.408  -0.531  1.00  0.00           N1+
HETATM   20  O   UNL     1      -6.344  -1.585  -0.447  1.00  0.00           O1-
HETATM   21  O   UNL     1      -4.419  -2.313  -0.907  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.382   0.932   0.251  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.842   2.161   0.584  1.00  0.00           C  
HETATM   24  H   UNL     1       7.808   0.284  -0.578  1.00  0.00           H  
HETATM   25  H   UNL     1       7.555  -1.276  -0.009  1.00  0.00           H  
HETATM   26  H   UNL     1       2.855   2.234  -1.824  1.00  0.00           H  
HETATM   27  H   UNL     1       2.239   2.345  -0.157  1.00  0.00           H  
HETATM   28  H   UNL     1       3.778   3.127  -0.591  1.00  0.00           H  
HETATM   29  H   UNL     1       1.959  -2.348   0.954  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.482  -2.603   1.306  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.927   2.413  -0.285  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.058   3.327   0.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.556  -0.696  -0.610  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.447   0.774   0.324  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.486   2.961   0.918  1.00  0.00           H  
CONECT    1    2   24   25                                            
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    7    7                                       
CONECT    5    4   26   27   28                                       
CONECT    6    2    7                                                 
CONECT    7    4    4    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   13                                            
CONECT   10    8   11   11   29                                       
CONECT   11   10   10   12   30                                       
CONECT   12   11   13   13                                            
CONECT   13    9   12   12   14                                       
CONECT   14   13   15   31                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   23   32                                       
CONECT   17   15   18   18   33                                       
CONECT   18   17   17   19   22                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19                                                 
CONECT   22   18   23   23   34                                       
CONECT   23   16   22   22   35                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   22                                                      
CONECT   35   23                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
