COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.959   0.029   0.485  1.00  0.00           C  
HETATM    2  C   UNL     1       3.758   0.527  -0.215  1.00  0.00           C  
HETATM    3  C   UNL     1       2.501   0.013   0.102  1.00  0.00           C  
HETATM    4  C   UNL     1       1.374   0.488  -0.562  1.00  0.00           C  
HETATM    5  C   UNL     1       0.034  -0.053  -0.230  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.313  -1.360  -0.150  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.353  -2.731   0.359  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.062  -3.099  -0.946  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.190  -0.215   0.326  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.175   0.726   0.081  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.453   2.089   0.164  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.725   2.507   0.487  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.727   1.578   0.730  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.114   2.052   1.083  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.468   0.228   0.651  1.00  0.00           C  
HETATM   16  C   UNL     1       1.508   1.475  -1.539  1.00  0.00           C  
HETATM   17  C   UNL     1       2.754   1.982  -1.849  1.00  0.00           C  
HETATM   18  C   UNL     1       3.877   1.519  -1.191  1.00  0.00           C  
HETATM   19  N   UNL     1       5.975   0.871   0.763  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.632  -1.468   0.184  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.902   2.219  -0.146  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.765  -4.331  -0.775  1.00  0.00           O  
HETATM   23  S   UNL     1       5.060  -1.616   0.948  1.00  0.00           S  
HETATM   24  H   UNL     1       2.403  -0.751   0.859  1.00  0.00           H  
HETATM   25  H   UNL     1       0.354  -2.192  -0.325  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.090  -2.622   1.155  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.647  -3.519   0.622  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.769  -2.312  -1.210  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.326  -3.208  -1.742  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.675   2.814  -0.024  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.944   3.562   0.552  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.596   1.316   1.727  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.050   3.006   1.606  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.255  -0.486   0.841  1.00  0.00           H  
HETATM   35  H   UNL     1       0.634   1.841  -2.057  1.00  0.00           H  
HETATM   36  H   UNL     1       2.852   2.746  -2.606  1.00  0.00           H  
HETATM   37  H   UNL     1       4.849   1.919  -1.438  1.00  0.00           H  
HETATM   38  H   UNL     1       6.762   0.544   1.226  1.00  0.00           H  
HETATM   39  H   UNL     1       5.918   1.803   0.500  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.836   2.536   0.064  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.442   2.848  -0.788  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.240  -4.626  -1.565  1.00  0.00           H  
CONECT    1    2   23   23   19                                       
CONECT    2   18   18    3    1                                       
CONECT    3    4    4    2   24                                       
CONECT    4   16    5    3    3                                       
CONECT    5    6    6   10    4                                       
CONECT    6   20    5    5   25                                       
CONECT    7    8   20   26   27                                       
CONECT    8   22    7   28   29                                       
CONECT    9   20   15   15   10                                       
CONECT   10    9    5   11   11                                       
CONECT   11   10   10   12   30                                       
CONECT   12   13   13   11   31                                       
CONECT   13   15   14   12   12                                       
CONECT   14   21   13   32   33                                       
CONECT   15    9    9   13   34                                       
CONECT   16   17   17    4   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17    2    2   37                                       
CONECT   19    1   38   39                                            
CONECT   20    7    6    9                                            
CONECT   21   14   40   41                                            
CONECT   22    8   42                                                 
CONECT   23    1    1                                                 
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
