COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.123   0.223   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       4.742   0.436   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       3.894   1.627   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       3.454  -3.138   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       2.613   1.177   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       3.859  -0.660   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       4.380  -1.949   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       1.417   2.031   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       6.611  -1.053  -0.005  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.963  -1.811   1.249  1.00  0.00           O  
HETATM   11  S   UNL     1      -5.946  -1.136  -0.001  1.00  0.00           S  
HETATM   12  O   UNL     1      -5.962  -1.812  -1.250  1.00  0.00           O  
HETATM   13  N   UNL     1      -7.254  -0.120  -0.002  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.502  -0.126   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.935   0.270   1.197  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.803   1.063   1.197  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.931   0.265  -1.197  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.799   1.058  -1.197  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.237   1.459   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.002   2.324   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.190   1.473   0.001  1.00  0.00           N  
HETATM   22  O   UNL     1       1.534   3.242   0.001  1.00  0.00           O  
HETATM   23  C   UNL     1       4.350   3.064   0.002  1.00  0.00           C  
HETATM   24  O   UNL     1       2.604  -0.172   0.001  1.00  0.00           O  
HETATM   25  C   UNL     1       5.745  -2.138   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       6.304  -3.538   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1       6.801   1.063   0.001  1.00  0.00           H  
HETATM   28  H   UNL     1       3.230  -3.424  -1.027  1.00  0.00           H  
HETATM   29  H   UNL     1       3.932  -3.972   0.514  1.00  0.00           H  
HETATM   30  H   UNL     1       2.529  -2.878   0.515  1.00  0.00           H  
HETATM   31  H   UNL     1       7.679  -1.219  -0.006  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.895  -0.154   0.726  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.379   0.509  -0.729  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.378  -0.039   2.132  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.361   1.373   2.132  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.371  -0.049  -2.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.354   1.364  -2.133  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.999   2.953  -0.890  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.000   2.953   0.890  1.00  0.00           H  
HETATM   40  H   UNL     1       0.097   0.507   0.001  1.00  0.00           H  
HETATM   41  H   UNL     1       4.460   3.410  -1.026  1.00  0.00           H  
HETATM   42  H   UNL     1       3.612   3.679   0.516  1.00  0.00           H  
HETATM   43  H   UNL     1       5.308   3.141   0.516  1.00  0.00           H  
HETATM   44  H   UNL     1       6.439  -3.875  -1.028  1.00  0.00           H  
HETATM   45  H   UNL     1       7.265  -3.545   0.513  1.00  0.00           H  
HETATM   46  H   UNL     1       5.612  -4.205   0.513  1.00  0.00           H  
CONECT    1    9    9    2   27                                       
CONECT    2    6    6    1    3                                       
CONECT    3    2    5    5   23                                       
CONECT    4    7   28   29   30                                       
CONECT    5   24    3    3    8                                       
CONECT    6    7   24    2    2                                       
CONECT    7    4   25   25    6                                       
CONECT    8   21    5   22   22                                       
CONECT    9   25    1    1   31                                       
CONECT   10   11   11                                                 
CONECT   11   14   13   10   10                                       
CONECT   11   12   12                                                 
CONECT   12   11   11                                                 
CONECT   13   11   32   33                                            
CONECT   14   15   15   17   11                                       
CONECT   15   16   14   14   34                                       
CONECT   16   19   19   15   35                                       
CONECT   17   18   18   14   36                                       
CONECT   18   19   17   17   37                                       
CONECT   19   20   16   16   18                                       
CONECT   20   21   19   38   39                                       
CONECT   21   20    8   40                                            
CONECT   22    8    8                                                 
CONECT   23    3   41   42   43                                       
CONECT   24    6    5                                                 
CONECT   25   26    7    7    9                                       
CONECT   26   25   44   45   46                                       
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
