COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.674  -3.722  -0.437  1.00  0.00           C  
HETATM    2  C   UNL     1       2.455  -3.361   0.879  1.00  0.00           C  
HETATM    3  C   UNL     1       1.578  -2.335   1.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.983   2.070  -1.239  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.741  -2.147  -0.157  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.036  -0.552   0.485  1.00  0.00           C  
HETATM    7  C   UNL     1       0.586   0.786   0.079  1.00  0.00           C  
HETATM    8  C   UNL     1       2.840   1.636  -0.164  1.00  0.00           C  
HETATM    9  C   UNL     1       4.196   1.764   0.534  1.00  0.00           C  
HETATM   10  C   UNL     1       0.920  -1.670   0.159  1.00  0.00           C  
HETATM   11  C   UNL     1       1.140  -2.031  -1.157  1.00  0.00           C  
HETATM   12  C   UNL     1       2.021  -3.054  -1.455  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.333   0.170   0.223  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.525   0.911  -0.400  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.762   1.388   1.035  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.845   0.421  -0.999  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.292  -0.752  -0.252  1.00  0.00           N  
HETATM   18  N   UNL     1       1.901   0.928   0.717  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.265   1.854   0.498  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.461   0.055   1.641  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.578  -0.159  -0.396  1.00  0.00           O  
HETATM   22  S   UNL     1       5.355   2.639  -0.553  1.00  0.00           S  
HETATM   23  H   UNL     1       3.359  -4.524  -0.670  1.00  0.00           H  
HETATM   24  H   UNL     1       2.969  -3.880   1.674  1.00  0.00           H  
HETATM   25  H   UNL     1       1.407  -2.052   2.206  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.711   1.705  -2.230  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.749   2.840  -1.334  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.104   2.491  -0.752  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.597  -2.298  -0.815  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.930  -2.811  -0.457  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.030  -2.367   0.871  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.240  -0.548   1.555  1.00  0.00           H  
HETATM   33  H   UNL     1       0.702   0.818  -1.005  1.00  0.00           H  
HETATM   34  H   UNL     1       2.450   2.629  -0.386  1.00  0.00           H  
HETATM   35  H   UNL     1       2.960   1.077  -1.091  1.00  0.00           H  
HETATM   36  H   UNL     1       4.075   2.324   1.462  1.00  0.00           H  
HETATM   37  H   UNL     1       4.585   0.771   0.756  1.00  0.00           H  
HETATM   38  H   UNL     1       0.626  -1.512  -1.952  1.00  0.00           H  
HETATM   39  H   UNL     1       2.192  -3.336  -2.484  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.057   1.193  -0.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.566   2.124   1.045  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.039   0.538   1.659  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.849   1.841   1.422  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.677   0.082  -2.021  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.232  -0.404  -0.401  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.568   1.237  -1.002  1.00  0.00           H  
HETATM   47  H   UNL     1       2.270   0.029   0.990  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.414   1.887   1.453  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.641  -0.844   1.948  1.00  0.00           H  
HETATM   50  H   UNL     1       6.484   2.678   0.177  1.00  0.00           H  
CONECT    1   12   12    2   23                                       
CONECT    2    3    3    1   24                                       
CONECT    3   10    2    2   25                                       
CONECT    4   14   26   27   28                                       
CONECT    5   17   29   30   31                                       
CONECT    6    7   17   10   32                                       
CONECT    7   18   19    6   33                                       
CONECT    8    9   18   34   35                                       
CONECT    9    8   22   36   37                                       
CONECT   10    6   11   11    3                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11    1    1   39                                       
CONECT   13   21   20   17   40                                       
CONECT   14    4   15   21   16                                       
CONECT   15   14   41   42   43                                       
CONECT   16   14   44   45   46                                       
CONECT   17   13    6    5                                            
CONECT   18    8    7   47                                            
CONECT   19    7   48                                                 
CONECT   20   13   49                                                 
CONECT   21   14   13                                                 
CONECT   22    9   50                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
