COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.944  -1.377   0.034  1.00  0.00           C  
HETATM    2  C   UNL     1       3.632  -2.060   0.012  1.00  0.00           C  
HETATM    3  C   UNL     1       2.726  -2.803  -0.720  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.478   0.714   0.471  1.00  0.00           N  
HETATM    5  C   UNL     1       6.360   1.834  -1.242  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.864  -1.962  -1.270  1.00  0.00           N  
HETATM    7  C   UNL     1       3.200  -0.971   0.761  1.00  0.00           C  
HETATM    8  O   UNL     1       6.093  -0.987   0.299  1.00  0.00           O  
HETATM    9  S   UNL     1       5.562   0.223   0.820  1.00  0.00           S  
HETATM   10  O   UNL     1       6.232   0.933   1.853  1.00  0.00           O  
HETATM   11  C   UNL     1       5.098   1.347  -0.527  1.00  0.00           C  
HETATM   12  C   UNL     1       6.672   3.331  -1.183  1.00  0.00           C  
HETATM   13  C   UNL     1       6.176   2.703  -2.487  1.00  0.00           C  
HETATM   14  N   UNL     1       4.120  -0.223   1.500  1.00  0.00           N  
HETATM   15  C   UNL     1       1.857  -0.628   0.773  1.00  0.00           C  
HETATM   16  C   UNL     1       1.386  -2.467  -0.713  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.495  -1.019   0.048  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.400  -1.773  -0.686  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.749  -1.434  -0.670  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.180  -0.329   0.090  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.252   0.419   0.824  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.933   0.078   0.801  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.983  -1.207  -0.904  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.628  -0.240  -0.100  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.800   0.681   0.209  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.252  -0.176  -0.521  1.00  0.00           O  
HETATM   27  C   UNL     1      -7.716   1.708   0.824  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.205   1.618   0.487  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.351   2.738  -0.112  1.00  0.00           C  
HETATM   30  H   UNL     1       4.679  -2.327   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1       3.066  -3.648  -1.300  1.00  0.00           H  
HETATM   32  H   UNL     1       7.204   1.144  -1.230  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.874  -2.733  -1.857  1.00  0.00           H  
HETATM   34  H   UNL     1       4.559   2.201  -0.118  1.00  0.00           H  
HETATM   35  H   UNL     1       4.460   0.820  -1.236  1.00  0.00           H  
HETATM   36  H   UNL     1       5.977   3.968  -0.635  1.00  0.00           H  
HETATM   37  H   UNL     1       7.720   3.625  -1.133  1.00  0.00           H  
HETATM   38  H   UNL     1       6.898   2.585  -3.295  1.00  0.00           H  
HETATM   39  H   UNL     1       5.155   2.928  -2.797  1.00  0.00           H  
HETATM   40  H   UNL     1       3.913   0.034   2.412  1.00  0.00           H  
HETATM   41  H   UNL     1       1.519   0.218   1.353  1.00  0.00           H  
HETATM   42  H   UNL     1       0.681  -3.050  -1.286  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.059  -2.617  -1.266  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.581   1.266   1.407  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.220   0.657   1.368  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.446   2.038   1.827  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.523   0.816  -0.180  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.915   1.889   1.268  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.499   3.746   0.276  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.107   2.673  -1.172  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.116   1.399   1.055  1.00  0.00           H  
CONECT    1   15   17   16   16                                       
CONECT    2    7    3    3   30                                       
CONECT    3    2    2   16   31                                       
CONECT    4   25   24   51                                            
CONECT    5   11   13   12   32                                       
CONECT    6   23   19   33                                            
CONECT    7   14   15   15    2                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   10                                       
CONECT    9   11   14                                                 
CONECT   10    9    9                                                 
CONECT   11    9    5   34   35                                       
CONECT   12    5   13   36   37                                       
CONECT   13    5   12   38   39                                       
CONECT   14    9    7   40                                            
CONECT   15    7    7    1   41                                       
CONECT   16    1    1    3   42                                       
CONECT   17   22    1   18   18                                       
CONECT   18   17   17   19   43                                       
CONECT   19   20   20   18    6                                       
CONECT   20   21   24   19   19                                       
CONECT   21   22   22   20   44                                       
CONECT   22   21   21   17   45                                       
CONECT   23   24   24    6                                            
CONECT   24    4   20   23   23                                       
CONECT   25   27   26   26    4                                       
CONECT   26   25   25                                                 
CONECT   27   29   28   25   46                                       
CONECT   28   29   27   47   48                                       
CONECT   29   28   27   49   50                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51    4                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
