COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.545   1.466   0.229  1.00  0.00           C  
HETATM    2  C   UNL     1       2.170   1.273   0.344  1.00  0.00           C  
HETATM    3  C   UNL     1       6.874   0.031  -0.243  1.00  0.00           C  
HETATM    4  C   UNL     1       2.412  -1.018   0.105  1.00  0.00           C  
HETATM    5  C   UNL     1       3.789  -0.916  -0.024  1.00  0.00           C  
HETATM    6  C   UNL     1       4.374   0.342   0.038  1.00  0.00           C  
HETATM    7  C   UNL     1       6.975  -1.030   0.855  1.00  0.00           C  
HETATM    8  C   UNL     1       6.818  -0.654  -1.610  1.00  0.00           C  
HETATM    9  N   UNL     1       4.358   2.553   0.252  1.00  0.00           N  
HETATM   10  C   UNL     1       6.780   3.108   0.069  1.00  0.00           C  
HETATM   11  C   UNL     1       5.594   2.179   0.097  1.00  0.00           C  
HETATM   12  N   UNL     1       1.659   0.061   0.279  1.00  0.00           N  
HETATM   13  N   UNL     1       5.659   0.825  -0.045  1.00  0.00           N  
HETATM   14  N   UNL     1       1.809  -2.273   0.045  1.00  0.00           N  
HETATM   15  C   UNL     1       0.426  -2.379   0.056  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.188  -3.632   0.114  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.568  -3.688   0.123  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.263  -2.561   0.076  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.653  -1.388   0.021  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.334  -1.289   0.016  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.399  -0.258  -0.025  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.819  -0.417  -0.012  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.487   0.958  -0.070  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.055   1.786   1.142  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.067   1.676  -1.354  1.00  0.00           C  
HETATM   26  S   UNL     1      -6.290   0.756  -0.053  1.00  0.00           S  
HETATM   27  O   UNL     1      -6.683   0.097  -1.249  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.672   0.205   1.200  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.861   2.476  -0.126  1.00  0.00           C  
HETATM   30  H   UNL     1       1.519   2.123   0.486  1.00  0.00           H  
HETATM   31  H   UNL     1       7.746   0.683  -0.199  1.00  0.00           H  
HETATM   32  H   UNL     1       4.395  -1.798  -0.165  1.00  0.00           H  
HETATM   33  H   UNL     1       6.065  -1.630   0.865  1.00  0.00           H  
HETATM   34  H   UNL     1       7.832  -1.674   0.660  1.00  0.00           H  
HETATM   35  H   UNL     1       7.099  -0.542   1.822  1.00  0.00           H  
HETATM   36  H   UNL     1       5.946  -1.307  -1.654  1.00  0.00           H  
HETATM   37  H   UNL     1       6.747   0.101  -2.392  1.00  0.00           H  
HETATM   38  H   UNL     1       7.722  -1.245  -1.757  1.00  0.00           H  
HETATM   39  H   UNL     1       7.112   3.304   1.089  1.00  0.00           H  
HETATM   40  H   UNL     1       7.590   2.645  -0.494  1.00  0.00           H  
HETATM   41  H   UNL     1       6.495   4.046  -0.407  1.00  0.00           H  
HETATM   42  H   UNL     1       2.356  -3.072  -0.004  1.00  0.00           H  
HETATM   43  H   UNL     1       0.403  -4.535   0.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.075  -4.641   0.167  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.127  -1.007  -0.875  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.119  -0.928   0.903  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.972   1.908   1.132  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.531   2.766   1.101  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.355   1.275   2.057  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.374   1.086  -2.217  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.543   2.656  -1.395  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.984   1.797  -1.364  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.491   2.943  -1.039  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.950   2.498  -0.122  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.483   3.021   0.739  1.00  0.00           H  
CONECT    1    6    6    2    9                                       
CONECT    2   12   12    1   30                                       
CONECT    3    8    7   13   31                                       
CONECT    4   14    5    5   12                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5   13    1    1                                       
CONECT    7    3   33   34   35                                       
CONECT    8    3   36   37   38                                       
CONECT    9    1   11   11                                            
CONECT   10   11   39   40   41                                       
CONECT   11   13    9    9   10                                       
CONECT   12    4    2    2                                            
CONECT   13    3    6   11                                            
CONECT   14   15    4   42                                            
CONECT   15   16   16   20   14                                       
CONECT   16   17   15   15   43                                       
CONECT   17   18   18   16   44                                       
CONECT   18   17   17   19                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19   15                                            
CONECT   21   22   19                                                 
CONECT   22   23   21   45   46                                       
CONECT   23   26   25   22   24                                       
CONECT   24   23   47   48   49                                       
CONECT   25   23   50   51   52                                       
CONECT   26   27   27   28   28                                       
CONECT   26   29   23                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   53   54   55                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
