COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.513   0.027  -0.416  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.689   0.615   0.510  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.519  -2.094   0.704  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.609   1.892   1.390  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.866   1.212   0.269  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.331   1.206  -0.847  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.030  -0.020  -0.618  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.478  -1.482  -0.716  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.902  -1.538  -0.831  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.036  -2.227   0.547  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.386  -3.608   0.434  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.824  -2.751  -0.490  1.00  0.00           C  
HETATM   13  O   UNL     1       0.591  -2.731  -0.287  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.166  -0.710   0.758  1.00  0.00           O  
HETATM   15  S   UNL     1      -0.981   1.751  -0.226  1.00  0.00           S  
HETATM   16  O   UNL     1      -1.139   2.459  -1.448  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.460   2.289   0.999  1.00  0.00           O  
HETATM   18  N   UNL     1       0.659   1.657  -0.018  1.00  0.00           N  
HETATM   19  C   UNL     1       1.564   1.702  -1.175  1.00  0.00           C  
HETATM   20  C   UNL     1       2.489   0.482  -1.124  1.00  0.00           C  
HETATM   21  C   UNL     1       1.237   1.534   1.327  1.00  0.00           C  
HETATM   22  C   UNL     1       2.165   0.315   1.355  1.00  0.00           C  
HETATM   23  C   UNL     1       3.201   0.442   0.230  1.00  0.00           C  
HETATM   24  O   UNL     1       4.089  -0.677   0.268  1.00  0.00           O  
HETATM   25  S   UNL     1       5.532  -0.335  -0.075  1.00  0.00           S  
HETATM   26  O   UNL     1       6.232  -1.569  -0.146  1.00  0.00           O  
HETATM   27  O   UNL     1       5.479   0.592  -1.151  1.00  0.00           O  
HETATM   28  N   UNL     1       6.161   0.486   1.219  1.00  0.00           N  
HETATM   29  H   UNL     1      -1.017  -0.413  -1.281  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.205  -2.586   1.624  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.040   1.795   2.314  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.739   2.948   1.152  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.586   1.425   1.514  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.291   0.505  -1.536  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.023  -1.944  -1.592  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.256  -2.435  -0.898  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.532  -1.794   1.416  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.131  -4.142   1.199  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.162  -3.783  -0.585  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.068  -2.203  -1.400  1.00  0.00           H  
HETATM   41  H   UNL     1       1.097  -3.132  -1.007  1.00  0.00           H  
HETATM   42  H   UNL     1       0.982   1.681  -2.096  1.00  0.00           H  
HETATM   43  H   UNL     1       2.160   2.614  -1.137  1.00  0.00           H  
HETATM   44  H   UNL     1       1.901  -0.427  -1.253  1.00  0.00           H  
HETATM   45  H   UNL     1       3.228   0.552  -1.922  1.00  0.00           H  
HETATM   46  H   UNL     1       1.807   2.432   1.564  1.00  0.00           H  
HETATM   47  H   UNL     1       2.674   0.268   2.318  1.00  0.00           H  
HETATM   48  H   UNL     1       1.579  -0.592   1.208  1.00  0.00           H  
HETATM   49  H   UNL     1       3.770   1.361   0.368  1.00  0.00           H  
HETATM   50  H   UNL     1       7.119   0.482   1.376  1.00  0.00           H  
HETATM   51  H   UNL     1       5.573   0.970   1.819  1.00  0.00           H  
HETATM   52  H   UNL     1       0.439   1.402   2.057  1.00  0.00           H  
CONECT    1    7   14   15   29                                       
CONECT    2    5    7                                                 
CONECT    3   10   12   14   30                                       
CONECT    4    5   31   32   33                                       
CONECT    5    2    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    1    2    8   34                                       
CONECT    8    7    9   10   35                                       
CONECT    9    8   36                                                 
CONECT   10    3    8   11   37                                       
CONECT   11   10   38                                                 
CONECT   12    3   13   39   40                                       
CONECT   13   12   41                                                 
CONECT   14    1    3                                                 
CONECT   15    1   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   21                                            
CONECT   19   18   20   42   43                                       
CONECT   20   19   23   44   45                                       
CONECT   21   18   22   46   52                                       
CONECT   22   21   23   47   48                                       
CONECT   23   20   22   24   49                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   50   51                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   21                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
