COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.225  -1.331   0.674  1.00  0.00           N  
HETATM    2  N   UNL     1      -6.139   1.488   0.692  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.027  -0.131   0.137  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.380  -1.646   1.232  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.291   0.418   0.782  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.515   2.530   0.056  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.264   2.173  -0.280  1.00  0.00           C  
HETATM    8  C   UNL     1       0.592  -0.075  -0.572  1.00  0.00           C  
HETATM    9  C   UNL     1       3.044   1.226  -0.759  1.00  0.00           C  
HETATM   10  C   UNL     1       1.681  -0.533   0.146  1.00  0.00           C  
HETATM   11  C   UNL     1       5.231   1.865   0.073  1.00  0.00           C  
HETATM   12  O   UNL     1       3.995  -0.015   2.333  1.00  0.00           O  
HETATM   13  S   UNL     1       4.259  -0.475   1.015  1.00  0.00           S  
HETATM   14  O   UNL     1       4.327  -1.863   0.718  1.00  0.00           O  
HETATM   15  C   UNL     1       5.678   0.410   0.295  1.00  0.00           C  
HETATM   16  O   UNL     1       4.210   1.892  -0.913  1.00  0.00           O  
HETATM   17  C   UNL     1       1.939   1.686  -1.475  1.00  0.00           C  
HETATM   18  C   UNL     1       0.725   1.039  -1.380  1.00  0.00           C  
HETATM   19  C   UNL     1       2.897   0.117   0.058  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.731  -0.789  -0.479  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.905  -1.701  -1.695  1.00  0.00           C  
HETATM   22  C   UNL     1       0.228  -2.728  -1.729  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.249  -2.427  -1.600  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.816   0.194  -0.446  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.079   0.798   0.178  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.392  -0.808   1.291  1.00  0.00           N  
HETATM   27  H   UNL     1      -7.049   1.507   1.028  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.499  -2.632   1.655  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.961   3.492  -0.146  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.536   2.785  -0.791  1.00  0.00           H  
HETATM   31  H   UNL     1       1.581  -1.402   0.778  1.00  0.00           H  
HETATM   32  H   UNL     1       4.846   2.274   1.008  1.00  0.00           H  
HETATM   33  H   UNL     1       6.080   2.460  -0.263  1.00  0.00           H  
HETATM   34  H   UNL     1       5.956  -0.043  -0.657  1.00  0.00           H  
HETATM   35  H   UNL     1       6.523   0.381   0.983  1.00  0.00           H  
HETATM   36  H   UNL     1       2.034   2.555  -2.109  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.124   1.403  -1.939  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.757  -1.389   0.431  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.880  -1.101  -2.605  1.00  0.00           H  
HETATM   40  H   UNL     1       0.202  -3.328  -0.819  1.00  0.00           H  
HETATM   41  H   UNL     1       0.104  -3.378  -2.596  1.00  0.00           H  
HETATM   42  H   UNL     1       1.185  -2.211  -1.797  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.056  -1.694  -1.576  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.373  -3.076  -2.467  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.275  -3.026  -0.690  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.685   1.074  -0.834  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   27                                            
CONECT    3   24    1    1   25                                       
CONECT    4    1   26   26   28                                       
CONECT    5   26    2   25   25                                       
CONECT    6    2    7    7   29                                       
CONECT    7    6    6   25   30                                       
CONECT    8   20   18   18   10                                       
CONECT    9   17   17   19   16                                       
CONECT   10   19   19    8   31                                       
CONECT   11   15   16   32   33                                       
CONECT   12   13   13                                                 
CONECT   13   19   14   14   12                                       
CONECT   13   12   15                                                 
CONECT   14   13   13                                                 
CONECT   15   13   11   34   35                                       
CONECT   16   11    9                                                 
CONECT   17   18    9    9   36                                       
CONECT   18    8    8   17   37                                       
CONECT   19    9   10   10   13                                       
CONECT   20   21   24    8   38                                       
CONECT   21   23   22   20   39                                       
CONECT   22   21   40   41   42                                       
CONECT   23   21   43   44   45                                       
CONECT   24   20    3   46                                            
CONECT   25    7    3    5    5                                       
CONECT   26    4    4    5                                            
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
