COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.953   2.700   1.389  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.842   1.552   1.917  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.069   0.655   0.680  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.950   0.933  -0.189  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.748   2.361  -0.104  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.350   2.720  -0.536  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.075  -1.094   1.161  1.00  0.00           S  
HETATM    8  O   UNL     1      -3.620   3.956   1.530  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.086   2.063   2.400  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.583   1.814  -1.093  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.491  -1.917  -0.341  1.00  0.00           C  
HETATM   12  C   UNL     1       0.815   2.174  -1.525  1.00  0.00           C  
HETATM   13  N   UNL     1       1.770   1.253  -0.903  1.00  0.00           N  
HETATM   14  C   UNL     1       3.089   1.385  -1.147  1.00  0.00           C  
HETATM   15  C   UNL     1       4.051   0.458  -0.520  1.00  0.00           C  
HETATM   16  C   UNL     1       5.422   0.591  -0.772  1.00  0.00           C  
HETATM   17  C   UNL     1       6.320  -0.289  -0.175  1.00  0.00           C  
HETATM   18  C   UNL     1       5.856  -1.289   0.663  1.00  0.00           C  
HETATM   19  C   UNL     1       4.499  -1.420   0.911  1.00  0.00           C  
HETATM   20  C   UNL     1       3.599  -0.554   0.332  1.00  0.00           C  
HETATM   21  N   UNL     1       4.015  -2.494   1.808  1.00  0.00           N1+
HETATM   22  O   UNL     1       5.872   1.572  -1.594  1.00  0.00           O  
HETATM   23  O   UNL     1       7.653  -0.167  -0.414  1.00  0.00           O  
HETATM   24  O   UNL     1       3.486   2.266  -1.884  1.00  0.00           O  
HETATM   25  O   UNL     1       4.809  -3.259   2.326  1.00  0.00           O  
HETATM   26  O   UNL     1       2.823  -2.612   2.029  1.00  0.00           O1-
HETATM   27  C   UNL     1      -4.598  -3.308  -0.389  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.925  -3.913  -1.584  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.135  -3.194  -2.672  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.043  -1.877  -2.667  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.726  -1.195  -1.511  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.997   2.714   1.912  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.326   0.998   2.701  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.006   0.917   0.188  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.482   2.885  -0.716  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.979   3.723  -0.388  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.828   4.190   2.445  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.683   1.385   2.743  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.954   0.811  -1.241  1.00  0.00           H  
HETATM   40  H   UNL     1       0.891   2.097  -2.610  1.00  0.00           H  
HETATM   41  H   UNL     1       1.040   3.194  -1.217  1.00  0.00           H  
HETATM   42  H   UNL     1       1.453   0.550  -0.315  1.00  0.00           H  
HETATM   43  H   UNL     1       6.555  -1.971   1.124  1.00  0.00           H  
HETATM   44  H   UNL     1       2.543  -0.658   0.534  1.00  0.00           H  
HETATM   45  H   UNL     1       6.077   2.402  -1.140  1.00  0.00           H  
HETATM   46  H   UNL     1       8.113   0.413   0.208  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.428  -3.901   0.497  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.011  -4.988  -1.631  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.222  -1.327  -3.579  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.657  -0.117  -1.513  1.00  0.00           H  
CONECT    1    2    5    8   32                                       
CONECT    2    1    3    9   33                                       
CONECT    3    2    4    7   34                                       
CONECT    4    3    5                                                 
CONECT    5    1    4    6   35                                       
CONECT    6    5   10   10   36                                       
CONECT    7    3   11                                                 
CONECT    8    1   37                                                 
CONECT    9    2   38                                                 
CONECT   10    6    6   12   39                                       
CONECT   11    7   27   27   31                                       
CONECT   12   10   13   40   41                                       
CONECT   13   12   14   42                                            
CONECT   14   13   15   24   24                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   22                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   43                                       
CONECT   19   18   20   20   21                                       
CONECT   20   15   19   19   44                                       
CONECT   21   19   25   25   26                                       
CONECT   22   16   45                                                 
CONECT   23   17   46                                                 
CONECT   24   14   14                                                 
CONECT   25   21   21                                                 
CONECT   26   21                                                      
CONECT   27   11   11   28   47                                       
CONECT   28   27   29   29   48                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   49                                       
CONECT   31   11   30   30   50                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
