COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       3.458  -1.229   0.655  1.00  0.00           S  
HETATM    2  O   UNL     1      -1.617  -4.256  -1.132  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.669  -0.572   1.750  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.279  -0.506   0.604  1.00  0.00           C  
HETATM    5  C   UNL     1       0.971  -0.108   1.451  1.00  0.00           C  
HETATM    6  C   UNL     1       2.364   0.057   0.900  1.00  0.00           C  
HETATM    7  C   UNL     1       4.134   1.179   0.082  1.00  0.00           C  
HETATM    8  C   UNL     1       4.929   2.255  -0.361  1.00  0.00           C  
HETATM    9  C   UNL     1       6.196   2.036  -0.812  1.00  0.00           C  
HETATM   10  C   UNL     1       6.726   0.754  -0.845  1.00  0.00           C  
HETATM   11  C   UNL     1       5.972  -0.316  -0.418  1.00  0.00           C  
HETATM   12  C   UNL     1       4.675  -0.111   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.707  -0.705  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.278   1.285   0.697  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.725   3.433  -0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.650   2.875  -0.866  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.385   1.521  -0.751  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.288   0.680  -1.367  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.360  -3.037   0.555  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.985  -3.083  -0.593  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.932  -1.824  -1.419  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.260  -0.620  -0.535  1.00  0.00           C  
HETATM   23  N   UNL     1       0.033  -0.331   0.348  1.00  0.00           N  
HETATM   24  N   UNL     1       2.874   1.180   0.559  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.201   0.725   0.032  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.541   2.637   0.580  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.669  -5.036  -0.563  1.00  0.00           H  
HETATM   28  H   UNL     1       0.946  -0.963   2.127  1.00  0.00           H  
HETATM   29  H   UNL     1       0.686   0.793   1.994  1.00  0.00           H  
HETATM   30  H   UNL     1       4.532   3.259  -0.342  1.00  0.00           H  
HETATM   31  H   UNL     1       6.794   2.870  -1.148  1.00  0.00           H  
HETATM   32  H   UNL     1       7.732   0.596  -1.206  1.00  0.00           H  
HETATM   33  H   UNL     1       6.386  -1.313  -0.444  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.322  -1.300  -0.680  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.719  -1.137   0.995  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.915   0.664   1.308  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.929   4.489  -0.295  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.013   3.498  -1.477  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.521   0.458  -2.408  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.330   1.196  -1.295  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.932  -1.707  -1.838  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.659  -1.890  -2.228  1.00  0.00           H  
HETATM   43  H   UNL     1       0.356  -0.352  -0.567  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.382   3.071   1.100  1.00  0.00           H  
CONECT    1    6   12                                                 
CONECT    2   20   27                                                 
CONECT    3    4    4                                                 
CONECT    4   22    3    3   23                                       
CONECT    5   23    6   28   29                                       
CONECT    6    1    5   24   24                                       
CONECT    7   12   24    8    8                                       
CONECT    8    7    7    9   30                                       
CONECT    9   10   10    8   31                                       
CONECT   10   11    9    9   32                                       
CONECT   11   12   12   10   33                                       
CONECT   12    1   11   11    7                                       
CONECT   13   25   22   34   35                                       
CONECT   14   26   25   25   36                                       
CONECT   15   26   26   16   37                                       
CONECT   16   15   17   17   38                                       
CONECT   17   16   16   25   18                                       
CONECT   18   17   22   39   40                                       
CONECT   19   20   20                                                 
CONECT   20   19   19   21    2                                       
CONECT   21   22   20   41   42                                       
CONECT   22   13   18   21    4                                       
CONECT   23    4    5   43                                            
CONECT   24    6    6    7                                            
CONECT   25   14   14   17   13                                       
CONECT   26   15   15   14   44                                       
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
