COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.575  -0.592  -0.275  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.512  -1.308  -0.442  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.492  -2.656  -0.759  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.681  -0.587  -0.273  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.990  -1.089  -0.390  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.144  -0.163  -0.348  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.389  -0.615   0.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.460   0.254   0.131  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.303   1.569  -0.268  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.071   2.023  -0.707  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.991   1.166  -0.743  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.174  -2.287  -0.526  1.00  0.00           O  
HETATM   13  S   UNL     1      -1.234   1.072   0.117  1.00  0.00           S  
HETATM   14  C   UNL     1       0.423   0.666   0.021  1.00  0.00           C  
HETATM   15  N   UNL     1       1.457   1.551   0.229  1.00  0.00           N  
HETATM   16  C   UNL     1       2.780   1.103   0.183  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.781  -0.223   0.598  1.00  0.00           N1+
HETATM   18  O   UNL     1      -7.921  -1.381   0.949  1.00  0.00           O  
HETATM   19  O   UNL     1      -8.728   0.542   0.632  1.00  0.00           O1-
HETATM   20  C   UNL     1       3.789   1.955  -0.248  1.00  0.00           C  
HETATM   21  C   UNL     1       5.096   1.509  -0.292  1.00  0.00           C  
HETATM   22  C   UNL     1       5.399   0.216   0.091  1.00  0.00           C  
HETATM   23  C   UNL     1       4.397  -0.635   0.520  1.00  0.00           C  
HETATM   24  C   UNL     1       3.090  -0.194   0.573  1.00  0.00           C  
HETATM   25  S   UNL     1       7.067  -0.350   0.032  1.00  0.00           S  
HETATM   26  O   UNL     1       7.008  -1.766  -0.070  1.00  0.00           O  
HETATM   27  O   UNL     1       7.736   0.470  -0.917  1.00  0.00           O  
HETATM   28  N   UNL     1       7.751  -0.015   1.503  1.00  0.00           N  
HETATM   29  H   UNL     1       0.355  -3.116  -0.868  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.324  -3.141  -0.872  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.513  -1.641   0.404  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.145   2.244  -0.238  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.955   3.051  -1.017  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.029   1.523  -1.082  1.00  0.00           H  
HETATM   35  H   UNL     1       1.268   2.486   0.407  1.00  0.00           H  
HETATM   36  H   UNL     1       3.553   2.966  -0.547  1.00  0.00           H  
HETATM   37  H   UNL     1       5.881   2.171  -0.626  1.00  0.00           H  
HETATM   38  H   UNL     1       4.638  -1.645   0.818  1.00  0.00           H  
HETATM   39  H   UNL     1       2.308  -0.857   0.912  1.00  0.00           H  
HETATM   40  H   UNL     1       7.226   0.417   2.194  1.00  0.00           H  
HETATM   41  H   UNL     1       8.676  -0.252   1.673  1.00  0.00           H  
CONECT    1    2   14   14                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2   29   30                                            
CONECT    4    2    2    5   13                                       
CONECT    5    4    6   12   12                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9    9   17                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11    6   10   10   34                                       
CONECT   12    5    5                                                 
CONECT   13    4   14                                                 
CONECT   14    1    1   13   15                                       
CONECT   15   14   16   35                                            
CONECT   16   15   20   20   24                                       
CONECT   17    8   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17                                                      
CONECT   20   16   16   21   36                                       
CONECT   21   20   22   22   37                                       
CONECT   22   21   21   23   25                                       
CONECT   23   22   24   24   38                                       
CONECT   24   16   23   23   39                                       
CONECT   25   22   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   40   41                                            
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   28                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
