COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.359  -3.061   0.046  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.695   3.302   1.105  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.325   0.102   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.079  -2.533  -0.307  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.724   0.894   2.151  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.198   1.443   0.734  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.854   2.085   0.374  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.724   1.116   0.740  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.947  -0.213   0.013  1.00  0.00           C  
HETATM   10  C   UNL     1       1.558  -1.065   0.722  1.00  0.00           C  
HETATM   11  C   UNL     1       2.882  -0.519   0.356  1.00  0.00           C  
HETATM   12  C   UNL     1       4.024  -0.931   1.044  1.00  0.00           C  
HETATM   13  C   UNL     1       5.257  -0.418   0.697  1.00  0.00           C  
HETATM   14  C   UNL     1       5.362   0.504  -0.329  1.00  0.00           C  
HETATM   15  C   UNL     1       4.234   0.918  -1.014  1.00  0.00           C  
HETATM   16  C   UNL     1       2.996   0.407  -0.682  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.769  -1.242  -2.454  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.856  -1.205   0.419  1.00  0.00           C  
HETATM   19  C   UNL     1       0.012  -3.526   0.099  1.00  0.00           C  
HETATM   20  N   UNL     1       0.456  -0.664   0.056  1.00  0.00           N  
HETATM   21  N   UNL     1       6.688   1.051  -0.695  1.00  0.00           N1+
HETATM   22  O   UNL     1       1.462  -1.875   1.623  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.262   2.307   0.331  1.00  0.00           O  
HETATM   24  O   UNL     1       6.784   1.863  -1.598  1.00  0.00           O  
HETATM   25  O   UNL     1       7.683   0.689  -0.093  1.00  0.00           O1-
HETATM   26  O   UNL     1      -3.227  -0.739   0.368  1.00  0.00           O  
HETATM   27  S   UNL     1      -4.310   0.381  -1.785  1.00  0.00           S  
HETATM   28  H   UNL     1      -2.466  -3.232   0.992  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.381   3.960   0.927  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.260  -0.379   0.293  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.038  -2.369  -1.384  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.592   1.696   2.675  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.248   1.281   1.811  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.824   2.294  -0.695  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.768   1.542   0.437  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.907  -0.049  -1.064  1.00  0.00           H  
HETATM   37  H   UNL     1       3.944  -1.651   1.845  1.00  0.00           H  
HETATM   38  H   UNL     1       6.142  -0.736   1.228  1.00  0.00           H  
HETATM   39  H   UNL     1       4.322   1.639  -1.813  1.00  0.00           H  
HETATM   40  H   UNL     1       2.116   0.727  -1.221  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.754  -1.523  -2.082  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.792  -1.192  -3.543  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.036  -1.985  -2.140  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.897  -1.369   1.496  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.146  -4.472  -0.419  1.00  0.00           H  
HETATM   46  H   UNL     1       0.989  -3.124  -0.171  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.028  -3.690   1.176  1.00  0.00           H  
HETATM   48  H   UNL     1       0.532  -0.018  -0.663  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.144   1.963   0.528  1.00  0.00           H  
CONECT    1    4   28                                                 
CONECT    2    7   29                                                 
CONECT    3    6   26   27   30                                       
CONECT    4   18    1   19   31                                       
CONECT    5    8   32                                                 
CONECT    6   23    7    3   33                                       
CONECT    7    2    6    8   34                                       
CONECT    8    5    7    9   35                                       
CONECT    9    8   26   18   36                                       
CONECT   10   22   22   20   11                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   15   21                                       
CONECT   15   16   16   14   39                                       
CONECT   16   11   15   15   40                                       
CONECT   17   27   41   42   43                                       
CONECT   18    9    4   20   44                                       
CONECT   19    4   45   46   47                                       
CONECT   20   18   10   48                                            
CONECT   21   14   25   24   24                                       
CONECT   22   10   10                                                 
CONECT   23    6   49                                                 
CONECT   24   21   21                                                 
CONECT   25   21                                                      
CONECT   26    3    9                                                 
CONECT   27    3   17                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
