COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.158   0.379   0.544  1.00  0.00           C  
HETATM    2  O   UNL     1       4.941   2.061   0.516  1.00  0.00           O  
HETATM    3  O   UNL     1       5.666  -0.706   0.525  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.902  -0.147   0.311  1.00  0.00           C  
HETATM    5  C   UNL     1       2.658   1.475  -0.025  1.00  0.00           C  
HETATM    6  C   UNL     1       4.129   1.057  -0.096  1.00  0.00           C  
HETATM    7  C   UNL     1       4.310  -0.270   0.648  1.00  0.00           C  
HETATM    8  C   UNL     1       3.378  -1.319   0.033  1.00  0.00           C  
HETATM    9  C   UNL     1       1.936  -0.808   0.099  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.768  -1.338  -0.391  1.00  0.00           C  
HETATM   11  O   UNL     1       3.485  -2.541   0.765  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.757   1.223   1.528  1.00  0.00           O  
HETATM   13  S   UNL     1      -4.882   0.391   0.384  1.00  0.00           S  
HETATM   14  O   UNL     1      -5.794  -0.697   0.309  1.00  0.00           O  
HETATM   15  N   UNL     1      -5.244   1.392  -0.885  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.282  -0.280   0.079  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.152  -1.463  -0.626  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.900  -1.997  -0.857  1.00  0.00           C  
HETATM   19  S   UNL     1       0.832  -2.012  -0.691  1.00  0.00           S  
HETATM   20  O   UNL     1       1.843   0.443  -0.585  1.00  0.00           O  
HETATM   21  C   UNL     1       2.457   2.769  -0.816  1.00  0.00           C  
HETATM   22  O   UNL     1       1.111   3.221  -0.656  1.00  0.00           O  
HETATM   23  H   UNL     1      -2.263   1.302   1.094  1.00  0.00           H  
HETATM   24  H   UNL     1       5.887   1.861   0.507  1.00  0.00           H  
HETATM   25  H   UNL     1       5.852  -1.542   0.973  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.025   0.368   0.675  1.00  0.00           H  
HETATM   27  H   UNL     1       2.375   1.637   1.015  1.00  0.00           H  
HETATM   28  H   UNL     1       4.423   0.935  -1.138  1.00  0.00           H  
HETATM   29  H   UNL     1       4.065  -0.135   1.701  1.00  0.00           H  
HETATM   30  H   UNL     1       3.657  -1.490  -1.007  1.00  0.00           H  
HETATM   31  H   UNL     1       1.644  -0.676   1.140  1.00  0.00           H  
HETATM   32  H   UNL     1       2.921  -3.251   0.430  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.419   2.333  -0.726  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.281   1.038  -1.787  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.032  -1.974  -0.987  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.800  -2.923  -1.404  1.00  0.00           H  
HETATM   37  H   UNL     1       3.143   3.531  -0.447  1.00  0.00           H  
HETATM   38  H   UNL     1       2.655   2.584  -1.872  1.00  0.00           H  
HETATM   39  H   UNL     1       0.912   4.040  -1.131  1.00  0.00           H  
CONECT    1    4    4   16   23                                       
CONECT    2    6   24                                                 
CONECT    3    7   25                                                 
CONECT    4   10    1    1   26                                       
CONECT    5    6   21   20   27                                       
CONECT    6    2    5    7   28                                       
CONECT    7    6    3    8   29                                       
CONECT    8    7    9   11   30                                       
CONECT    9   20    8   19   31                                       
CONECT   10   19   18   18    4                                       
CONECT   11    8   32                                                 
CONECT   12   13   13                                                 
CONECT   13   16   15   14   14                                       
CONECT   13   12   12                                                 
CONECT   14   13   13                                                 
CONECT   15   13   33   34                                            
CONECT   16   17   17    1   13                                       
CONECT   17   18   16   16   35                                       
CONECT   18   10   10   17   36                                       
CONECT   19    9   10                                                 
CONECT   20    5    9                                                 
CONECT   21    5   22   37   38                                       
CONECT   22   21   39                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
