COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.250   1.465  -2.396  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.277   0.830  -1.004  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.317  -0.593  -1.130  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.020   1.239  -0.233  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.109   0.726   1.181  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.941   1.312   2.057  1.00  0.00           O  
HETATM    7  O   UNL     1      -3.432  -0.213   1.527  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.787   0.643  -0.915  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.501   1.178  -0.261  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.842   2.145   0.875  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.737  -0.810  -0.703  1.00  0.00           N  
HETATM   12  CA  UNL     1      -1.564  -1.135  -0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.210  -2.455   0.363  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.226  -2.653   1.052  1.00  0.00           O  
HETATM   15  OXT UNL     1      -1.964  -3.496  -0.052  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.811  -0.052   0.283  1.00  0.00           C  
HETATM   17  S   UNL     1       0.724  -0.069   1.148  1.00  0.00           S  
HETATM   18  C   UNL     1       1.834   0.487  -0.170  1.00  0.00           C  
HETATM   19  C   UNL     1       3.244   0.810   0.390  1.00  0.00           C  
HETATM   20  C   UNL     1       2.145  -0.665  -1.157  1.00  0.00           C  
HETATM   21  N   UNL     1       3.446  -0.306  -1.759  1.00  0.00           N  
HETATM   22  C   UNL     1       4.162   0.590  -0.831  1.00  0.00           C  
HETATM   23  C   UNL     1       5.453  -0.051  -0.392  1.00  0.00           C  
HETATM   24  O   UNL     1       5.610  -1.247  -0.519  1.00  0.00           O  
HETATM   25  N   UNL     1       6.434   0.704   0.141  1.00  0.00           N  
HETATM   26  C   UNL     1       7.689   0.081   0.568  1.00  0.00           C  
HETATM   27  C   UNL     1       6.244   2.149   0.294  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.146   1.174  -2.945  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.220   2.550  -2.299  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.366   1.123  -2.934  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.161   1.172  -0.465  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.694  -0.948  -1.779  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.939   2.326  -0.221  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.964   0.948   2.952  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.795   0.871  -1.980  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.873   1.671  -1.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.311   1.596   1.691  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.929   2.621   1.234  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.529   2.908   0.508  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.408  -1.445  -1.000  1.00  0.00           H  
HETATM   41  HXT UNL     1      -1.644  -4.358   0.247  1.00  0.00           H  
HETATM   42  H   UNL     1       1.415   1.347  -0.693  1.00  0.00           H  
HETATM   43  H   UNL     1       3.296   1.845   0.730  1.00  0.00           H  
HETATM   44  H   UNL     1       3.503   0.127   1.199  1.00  0.00           H  
HETATM   45  H   UNL     1       2.222  -1.612  -0.623  1.00  0.00           H  
HETATM   46  H   UNL     1       1.373  -0.726  -1.925  1.00  0.00           H  
HETATM   47  H   UNL     1       3.320   0.132  -2.659  1.00  0.00           H  
HETATM   48  H   UNL     1       4.365   1.543  -1.318  1.00  0.00           H  
HETATM   49  H   UNL     1       8.394   0.077  -0.264  1.00  0.00           H  
HETATM   50  H   UNL     1       8.111   0.645   1.399  1.00  0.00           H  
HETATM   51  H   UNL     1       7.496  -0.944   0.885  1.00  0.00           H  
HETATM   52  H   UNL     1       5.257   2.427  -0.075  1.00  0.00           H  
HETATM   53  H   UNL     1       6.326   2.416   1.348  1.00  0.00           H  
HETATM   54  H   UNL     1       7.008   2.678  -0.275  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    4    3    1   31                                       
CONECT    3    2   32                                                 
CONECT    4    8    5    2   33                                       
CONECT    5    7    7    6    4                                       
CONECT    6    5   34                                                 
CONECT    7    5    5                                                 
CONECT    8    9   11    4   35                                       
CONECT    9   16   10    8   36                                       
CONECT   10    9   37   38   39                                       
CONECT   11   12    8   40                                            
CONECT   12   13   16   16   11                                       
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   41                                                 
CONECT   16   17   12   12    9                                       
CONECT   17   18   16                                                 
CONECT   18   20   19   17   42                                       
CONECT   19   22   18   43   44                                       
CONECT   20   21   18   45   46                                       
CONECT   21   22   20   47                                            
CONECT   22   23   21   19   48                                       
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   27   26   23                                            
CONECT   26   25   49   50   51                                       
CONECT   27   25   52   53   54                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
