COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.359  -1.331  -0.199  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.151   1.309  -0.577  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.760  -1.941   0.695  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.036   1.208   2.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.390  -0.224   0.317  1.00  0.00           C  
HETATM    6  S   UNL     1      -6.048   0.354   0.469  1.00  0.00           S  
HETATM    7  C   UNL     1      -4.051  -1.477   0.808  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.442   0.574  -0.285  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.132   0.122  -0.414  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.000   0.689  -0.962  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.944   2.015  -1.581  1.00  0.00           C  
HETATM   12  C   UNL     1       0.071  -0.169  -0.840  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.789  -1.147   0.084  1.00  0.00           C  
HETATM   14  C   UNL     1       0.559  -2.374   0.046  1.00  0.00           C  
HETATM   15  N   UNL     1       1.804  -2.254  -0.323  1.00  0.00           N  
HETATM   16  N   UNL     1       2.263  -1.101  -0.967  1.00  0.00           N  
HETATM   17  C   UNL     1       1.429  -0.074  -1.226  1.00  0.00           C  
HETATM   18  O   UNL     1       1.841   0.928  -1.788  1.00  0.00           O  
HETATM   19  C   UNL     1       3.670  -1.007  -1.365  1.00  0.00           C  
HETATM   20  C   UNL     1       4.470  -0.399  -0.242  1.00  0.00           C  
HETATM   21  C   UNL     1       5.036  -1.213   0.722  1.00  0.00           C  
HETATM   22  C   UNL     1       5.771  -0.659   1.754  1.00  0.00           C  
HETATM   23  C   UNL     1       5.942   0.710   1.826  1.00  0.00           C  
HETATM   24  C   UNL     1       5.375   1.530   0.859  1.00  0.00           C  
HETATM   25  N   UNL     1       5.550   2.914   0.924  1.00  0.00           N  
HETATM   26  C   UNL     1       4.642   0.970  -0.180  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.499  -2.916   1.079  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.028   1.614   2.272  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.764   0.504   2.855  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.310   2.021   2.042  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.803  -2.090   1.281  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.718   1.547  -0.664  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.697   2.760  -0.824  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.180   2.021  -2.359  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.912   2.252  -2.021  1.00  0.00           H  
HETATM   36  H   UNL     1       0.230  -3.275   0.542  1.00  0.00           H  
HETATM   37  H   UNL     1       4.052  -2.004  -1.585  1.00  0.00           H  
HETATM   38  H   UNL     1       3.755  -0.381  -2.253  1.00  0.00           H  
HETATM   39  H   UNL     1       4.905  -2.283   0.669  1.00  0.00           H  
HETATM   40  H   UNL     1       6.212  -1.297   2.506  1.00  0.00           H  
HETATM   41  H   UNL     1       6.516   1.142   2.632  1.00  0.00           H  
HETATM   42  H   UNL     1       5.160   3.485   0.244  1.00  0.00           H  
HETATM   43  H   UNL     1       6.062   3.304   1.650  1.00  0.00           H  
HETATM   44  H   UNL     1       4.199   1.605  -0.933  1.00  0.00           H  
CONECT    1   12   12   13   14                                       
CONECT    2    6    6                                                 
CONECT    3   13   13    7   27                                       
CONECT    4    6   28   29   30                                       
CONECT    5    8    6    7    7                                       
CONECT    6    2    2    4    5                                       
CONECT    7    5    5    3   31                                       
CONECT    8    9    9    5   32                                       
CONECT    9   10    8    8   13                                       
CONECT   10   11    9   12                                            
CONECT   11   10   33   34   35                                       
CONECT   12   10   17    1    1                                       
CONECT   13    9    1    3    3                                       
CONECT   14    1   15   15   36                                       
CONECT   15   16   14   14                                            
CONECT   16   17   19   15                                            
CONECT   17   18   18   12   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   16   37   38                                       
CONECT   20   26   19   21   21                                       
CONECT   21   20   20   22   39                                       
CONECT   22   23   23   21   40                                       
CONECT   23   24   22   22   41                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24   42   43                                            
CONECT   26   24   24   20   44                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
