COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.861  -2.786   0.138  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.917  -3.979   0.470  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.070  -0.517  -0.663  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.724  -0.482  -0.633  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.136   0.538  -0.931  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.962  -1.685  -0.239  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.634  -2.859   0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.534  -3.944   0.488  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.566  -1.658  -0.225  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.831  -0.398  -0.606  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.824   0.528   0.534  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.164   1.683   0.223  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.736   2.883  -0.002  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.411   3.230   0.052  1.00  0.00           S  
HETATM   15  N   UNL     1       0.250   3.761  -0.277  1.00  0.00           N  
HETATM   16  N   UNL     1       1.465   3.063  -0.216  1.00  0.00           N  
HETATM   17  C   UNL     1       1.203   1.823   0.090  1.00  0.00           C  
HETATM   18  C   UNL     1       2.202   0.745   0.256  1.00  0.00           C  
HETATM   19  C   UNL     1       2.316   0.075   1.479  1.00  0.00           C  
HETATM   20  O   UNL     1       1.508   0.412   2.518  1.00  0.00           O  
HETATM   21  C   UNL     1       3.253  -0.934   1.628  1.00  0.00           C  
HETATM   22  C   UNL     1       3.031   0.389  -0.808  1.00  0.00           C  
HETATM   23  C   UNL     1       3.964  -0.621  -0.646  1.00  0.00           C  
HETATM   24  C   UNL     1       4.076  -1.278   0.572  1.00  0.00           C  
HETATM   25  O   UNL     1       4.773  -0.969  -1.682  1.00  0.00           O  
HETATM   26  C   UNL     1       5.713  -2.019  -1.446  1.00  0.00           C  
HETATM   27  H   UNL     1       0.219  -2.765   0.153  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.436  -4.886   0.745  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.524   0.295  -0.927  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.714  -2.891   0.082  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.977  -4.823   0.776  1.00  0.00           H  
HETATM   32  H   UNL     1       0.194  -0.644  -0.881  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.331   0.072  -1.453  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.423   0.092   1.352  1.00  0.00           H  
HETATM   35  H   UNL     1       0.140   4.703  -0.480  1.00  0.00           H  
HETATM   36  H   UNL     1       0.728  -0.153   2.610  1.00  0.00           H  
HETATM   37  H   UNL     1       3.342  -1.452   2.571  1.00  0.00           H  
HETATM   38  H   UNL     1       2.945   0.899  -1.756  1.00  0.00           H  
HETATM   39  H   UNL     1       4.805  -2.065   0.693  1.00  0.00           H  
HETATM   40  H   UNL     1       6.293  -2.197  -2.351  1.00  0.00           H  
HETATM   41  H   UNL     1       6.382  -1.732  -0.636  1.00  0.00           H  
HETATM   42  H   UNL     1       5.180  -2.930  -1.172  1.00  0.00           H  
CONECT    1    9    9    8   27                                       
CONECT    2    8    8    7   28                                       
CONECT    3    4   29                                                 
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    9    4    7    7                                       
CONECT    7    6    6    2   30                                       
CONECT    8    1    2    2   31                                       
CONECT    9   10    1    1    6                                       
CONECT   10   11    9   32   33                                       
CONECT   11   12   10   34                                            
CONECT   12   17   13   11                                            
CONECT   13   15   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   35                                            
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   12                                       
CONECT   18   22   17   19   19                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   36                                                 
CONECT   21   24   24   19   37                                       
CONECT   22   23   23   18   38                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23   21   21   39                                       
CONECT   25   26   23                                                 
CONECT   26   25   40   41   42                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
