COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.551  -0.514  -0.148  1.00  0.00           C  
HETATM    2  O   UNL     1       1.526   0.131  -1.178  1.00  0.00           O  
HETATM    3  C   UNL     1       2.130  -1.875  -0.142  1.00  0.00           C  
HETATM    4  C   UNL     1       2.649  -2.421  -1.316  1.00  0.00           C  
HETATM    5  C   UNL     1       3.188  -3.691  -1.304  1.00  0.00           C  
HETATM    6  C   UNL     1       3.214  -4.423  -0.130  1.00  0.00           C  
HETATM    7  C   UNL     1       2.701  -3.887   1.038  1.00  0.00           C  
HETATM    8  C   UNL     1       2.164  -2.616   1.040  1.00  0.00           C  
HETATM    9  C   UNL     1       0.481   1.361   0.982  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.526   1.492   2.126  1.00  0.00           C  
HETATM   11  N   UNL     1       1.055   0.013   0.989  1.00  0.00           N  
HETATM   12  O   UNL     1       0.156   1.377   3.377  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.558   0.399   2.015  1.00  0.00           C  
HETATM   14  C   UNL     1       1.597   2.391   1.165  1.00  0.00           C  
HETATM   15  C   UNL     1       2.522   2.345  -0.024  1.00  0.00           C  
HETATM   16  C   UNL     1       3.613   1.497  -0.019  1.00  0.00           C  
HETATM   17  C   UNL     1       4.462   1.455  -1.110  1.00  0.00           C  
HETATM   18  C   UNL     1       4.219   2.262  -2.206  1.00  0.00           C  
HETATM   19  C   UNL     1       3.127   3.110  -2.211  1.00  0.00           C  
HETATM   20  C   UNL     1       2.276   3.149  -1.122  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.634  -0.452   2.875  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.201  -0.501  -0.409  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.755   0.036  -2.240  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.399  -0.694   0.852  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.719  -0.745  -2.560  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.395   0.368   0.960  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.905  -1.010  -1.558  1.00  0.00           N  
HETATM   28  S   UNL     1      -5.638   0.418  -0.524  1.00  0.00           S  
HETATM   29  H   UNL     1       2.629  -1.851  -2.234  1.00  0.00           H  
HETATM   30  H   UNL     1       3.590  -4.115  -2.212  1.00  0.00           H  
HETATM   31  H   UNL     1       3.636  -5.417  -0.125  1.00  0.00           H  
HETATM   32  H   UNL     1       2.724  -4.463   1.951  1.00  0.00           H  
HETATM   33  H   UNL     1       1.768  -2.197   1.954  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.023   1.536   0.032  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.018   2.463   2.068  1.00  0.00           H  
HETATM   36  H   UNL     1       1.078  -0.501   1.811  1.00  0.00           H  
HETATM   37  H   UNL     1       0.617   0.536   3.498  1.00  0.00           H  
HETATM   38  H   UNL     1       1.163   3.387   1.249  1.00  0.00           H  
HETATM   39  H   UNL     1       2.159   2.162   2.071  1.00  0.00           H  
HETATM   40  H   UNL     1       3.803   0.866   0.837  1.00  0.00           H  
HETATM   41  H   UNL     1       5.314   0.792  -1.106  1.00  0.00           H  
HETATM   42  H   UNL     1       4.882   2.230  -3.057  1.00  0.00           H  
HETATM   43  H   UNL     1       2.938   3.741  -3.067  1.00  0.00           H  
HETATM   44  H   UNL     1       1.422   3.809  -1.128  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.531   0.369  -2.914  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.063  -0.655   1.715  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.900  -1.663   0.821  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.558  -1.122  -3.559  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.334   1.049   0.272  1.00  0.00           H  
CONECT    1    2    2   11    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    8    8    4                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4    6   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    8    6    6   32                                       
CONECT    8    3    3    7   33                                       
CONECT    9   10   14   11   34                                       
CONECT   10   13   12    9   35                                       
CONECT   11    9    1   36                                            
CONECT   12   10   37                                                 
CONECT   13   26   21   21   10                                       
CONECT   14    9   15   38   39                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   20   20   18   43                                       
CONECT   20   15   19   19   44                                       
CONECT   21   13   13                                                 
CONECT   22   27   27   24   28                                       
CONECT   23   25   25   28   45                                       
CONECT   24   22   26   46   47                                       
CONECT   25   27   23   23   48                                       
CONECT   26   24   13   49                                            
CONECT   27   25   22   22                                            
CONECT   28   22   23                                                 
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
