COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.250  -0.247  -4.445  1.00  0.00           S  
HETATM    2  N   UNL     1       1.647   0.572  -4.101  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.697   0.743  -4.816  1.00  0.00           O  
HETATM    4  O   UNL     1       0.640  -1.354  -5.247  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.261  -0.841  -3.141  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.125   0.133  -2.554  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.677  -0.403  -1.232  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.598  -0.646  -0.314  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.604   0.644  -0.586  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.925   0.123  -0.427  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.957   0.918   0.796  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.956   1.031   1.811  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.095  -0.352   1.008  1.00  0.00           C  
HETATM   14  N   UNL     1       0.012  -0.080   1.927  1.00  0.00           N  
HETATM   15  C   UNL     1       1.228   0.437   1.593  1.00  0.00           C  
HETATM   16  N   UNL     1       1.971   0.547   2.656  1.00  0.00           N  
HETATM   17  C   UNL     1       1.281   0.109   3.736  1.00  0.00           C  
HETATM   18  C   UNL     1       1.563  -0.006   5.108  1.00  0.00           C  
HETATM   19  N   UNL     1       2.791   0.379   5.614  1.00  0.00           N  
HETATM   20  N   UNL     1       0.621  -0.495   5.908  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.554  -0.866   5.434  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.861  -0.775   4.158  1.00  0.00           N  
HETATM   23  C   UNL     1       0.014  -0.293   3.282  1.00  0.00           C  
HETATM   24  C   UNL     1       2.791  -0.139  -3.525  1.00  0.00           C  
HETATM   25  C   UNL     1       3.944   0.842  -3.305  1.00  0.00           C  
HETATM   26  H   UNL     1       1.708   1.523  -4.280  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.565   1.050  -2.368  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.950   0.344  -3.233  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.228  -1.327  -1.409  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.624   1.555  -1.185  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.439   0.799   0.034  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.333   1.811   0.765  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.456   1.838   1.623  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.707  -1.174   1.380  1.00  0.00           H  
HETATM   35  H   UNL     1       1.530   0.715   0.594  1.00  0.00           H  
HETATM   36  H   UNL     1       2.973   0.294   6.563  1.00  0.00           H  
HETATM   37  H   UNL     1       3.470   0.735   5.020  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.290  -1.258   6.120  1.00  0.00           H  
HETATM   39  H   UNL     1       3.109  -0.927  -4.207  1.00  0.00           H  
HETATM   40  H   UNL     1       2.502  -0.579  -2.570  1.00  0.00           H  
HETATM   41  H   UNL     1       4.795   0.312  -2.876  1.00  0.00           H  
HETATM   42  H   UNL     1       4.233   1.282  -4.259  1.00  0.00           H  
HETATM   43  H   UNL     1       3.625   1.630  -2.623  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1    4    5                                                 
CONECT    2    1   24   26                                            
CONECT    3    1    1                                                 
CONECT    4    1    1                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   27   28                                       
CONECT    7    6    8    9   29                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   30                                       
CONECT   10    9   31                                                 
CONECT   11    9   12   13   32                                       
CONECT   12   11   33                                                 
CONECT   13    8   11   14   34                                       
CONECT   14   13   15   23                                            
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   20                                       
CONECT   19   18   36   37                                            
CONECT   20   18   21   21                                            
CONECT   21   20   20   22   38                                       
CONECT   22   21   23   23                                            
CONECT   23   14   17   22   22                                       
CONECT   24    2   25   39   40                                       
CONECT   25   24   41   42   43                                       
CONECT   26    2                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
