COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -5.681   1.002  -0.368  1.00  0.00           S  
HETATM    2  C   UNL     1      -8.181  -0.306   0.051  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.950  -1.330   0.418  1.00  0.00           N  
HETATM    4  O   UNL     1       4.917  -2.846  -0.872  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.674  -0.319   0.069  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.280   1.302  -0.420  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.646  -1.179   0.380  1.00  0.00           C  
HETATM    8  N   UNL     1       0.446  -0.800   0.297  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.684  -2.275   0.759  1.00  0.00           C  
HETATM   10  N   UNL     1       5.731   0.960   0.239  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.241   0.044  -0.030  1.00  0.00           C  
HETATM   12  N   UNL     1       5.182  -1.704  -0.541  1.00  0.00           N1+
HETATM   13  C   UNL     1      -2.843   0.496  -0.170  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.834  -0.326   0.117  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.556   1.795  -0.607  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.232   2.172  -0.723  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.580   0.078  -0.009  1.00  0.00           C  
HETATM   18  C   UNL     1       1.776  -0.358   0.283  1.00  0.00           C  
HETATM   19  C   UNL     1       2.078   0.944   0.660  1.00  0.00           C  
HETATM   20  C   UNL     1       3.388   1.380   0.646  1.00  0.00           C  
HETATM   21  C   UNL     1       4.403   0.517   0.254  1.00  0.00           C  
HETATM   22  C   UNL     1       5.895   2.099  -0.673  1.00  0.00           C  
HETATM   23  C   UNL     1       6.188   1.298   1.593  1.00  0.00           C  
HETATM   24  C   UNL     1       4.100  -0.785  -0.123  1.00  0.00           C  
HETATM   25  C   UNL     1       2.791  -1.222  -0.104  1.00  0.00           C  
HETATM   26  H   UNL     1      -8.535  -0.631  -0.927  1.00  0.00           H  
HETATM   27  H   UNL     1      -8.560  -0.981   0.818  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.538   0.705   0.248  1.00  0.00           H  
HETATM   29  H   UNL     1       0.245  -1.722   0.522  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.443  -2.869  -0.123  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.771  -1.835   1.160  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.141  -2.915   1.513  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.350   2.486  -0.847  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.975   3.167  -1.057  1.00  0.00           H  
HETATM   35  H   UNL     1       1.289   1.615   0.965  1.00  0.00           H  
HETATM   36  H   UNL     1       3.623   2.393   0.939  1.00  0.00           H  
HETATM   37  H   UNL     1       6.948   2.378  -0.719  1.00  0.00           H  
HETATM   38  H   UNL     1       5.549   1.821  -1.668  1.00  0.00           H  
HETATM   39  H   UNL     1       5.311   2.944  -0.308  1.00  0.00           H  
HETATM   40  H   UNL     1       5.560   2.091   2.001  1.00  0.00           H  
HETATM   41  H   UNL     1       6.121   0.417   2.230  1.00  0.00           H  
HETATM   42  H   UNL     1       7.223   1.639   1.552  1.00  0.00           H  
HETATM   43  H   UNL     1       2.556  -2.236  -0.394  1.00  0.00           H  
HETATM   44  O   UNL     1       6.338  -1.320  -0.554  1.00  0.00           O1-
CONECT    1    5   11                                                 
CONECT    2   26   27   28    5                                       
CONECT    3    5    5    7                                            
CONECT    4   12   12                                                 
CONECT    5    1    3    3    2                                       
CONECT    6   17   17   16                                            
CONECT    7    3   11   11    9                                       
CONECT    8   18   29   17                                            
CONECT    9    7   30   31   32                                       
CONECT   10   22   23   21                                            
CONECT   11    7    7    1   13                                       
CONECT   12    4    4   24   44                                       
CONECT   13   11   14   14   15                                       
CONECT   14   13   13   17                                            
CONECT   15   13   33   16   16                                       
CONECT   16    6   15   15   34                                       
CONECT   17    6    6    8   14                                       
CONECT   18    8   25   25   19                                       
CONECT   19   18   20   20   35                                       
CONECT   20   19   19   21   36                                       
CONECT   21   20   10   24   24                                       
CONECT   22   10   37   38   39                                       
CONECT   23   10   40   41   42                                       
CONECT   24   12   21   21   25                                       
CONECT   25   18   18   24   43                                       
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   12                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
