COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.242   3.484  -1.558  1.00  0.00           C  
HETATM    2  C   UNL     1       3.419   2.528  -0.693  1.00  0.00           C  
HETATM    3  S   UNL     1       3.980   0.825  -0.973  1.00  0.00           S  
HETATM    4  O   UNL     1       3.645   0.400  -2.286  1.00  0.00           O  
HETATM    5  O   UNL     1       5.290   0.641  -0.454  1.00  0.00           O  
HETATM    6  C   UNL     1       2.956  -0.153   0.076  1.00  0.00           C  
HETATM    7  C   UNL     1       1.760  -0.651  -0.401  1.00  0.00           C  
HETATM    8  C   UNL     1       3.356  -0.424   1.372  1.00  0.00           C  
HETATM    9  C   UNL     1       2.562  -1.195   2.201  1.00  0.00           C  
HETATM   10  C   UNL     1       1.360  -1.702   1.736  1.00  0.00           C  
HETATM   11  O   UNL     1       0.580  -2.460   2.549  1.00  0.00           O  
HETATM   12  C   UNL     1       1.060  -2.695   3.875  1.00  0.00           C  
HETATM   13  C   UNL     1       0.951  -1.426   0.427  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.334  -1.963  -0.080  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.501  -1.079  -0.237  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.445   0.273   0.079  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.448  -3.273  -0.409  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.612  -3.805  -0.878  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.652  -5.231  -1.212  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.727  -3.069  -1.046  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.746  -3.586  -1.468  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.705  -1.639  -0.724  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.832  -0.831  -0.885  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.766   0.496  -0.572  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.579   1.059  -0.089  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.532   2.503   0.245  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.561   3.393   0.131  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.417   3.206   0.745  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.767   4.454   0.913  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.108   4.596   0.534  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.883   5.838   0.571  1.00  0.00           C  
HETATM   32  H   UNL     1       4.112   3.227  -2.609  1.00  0.00           H  
HETATM   33  H   UNL     1       3.905   4.507  -1.390  1.00  0.00           H  
HETATM   34  H   UNL     1       5.295   3.401  -1.291  1.00  0.00           H  
HETATM   35  H   UNL     1       3.549   2.785   0.358  1.00  0.00           H  
HETATM   36  H   UNL     1       2.366   2.611  -0.960  1.00  0.00           H  
HETATM   37  H   UNL     1       1.453  -0.441  -1.415  1.00  0.00           H  
HETATM   38  H   UNL     1       4.293  -0.031   1.739  1.00  0.00           H  
HETATM   39  H   UNL     1       2.882  -1.406   3.211  1.00  0.00           H  
HETATM   40  H   UNL     1       0.343  -3.312   4.417  1.00  0.00           H  
HETATM   41  H   UNL     1       2.019  -3.210   3.827  1.00  0.00           H  
HETATM   42  H   UNL     1       1.183  -1.743   4.391  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.530   0.710   0.452  1.00  0.00           H  
HETATM   44  H   UNL     1       0.412  -3.916  -0.296  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.950  -5.802  -0.332  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.371  -5.397  -2.014  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.664  -5.556  -1.537  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.753  -1.254  -1.257  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.640   1.118  -0.698  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.559   3.172  -0.220  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.444   2.787   0.953  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.781   6.358  -0.382  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.933   5.605   0.747  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.512   6.475   1.374  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1   35   36                                       
CONECT    3    6    4    4    2                                       
CONECT    3    5    5                                                 
CONECT    4    3    3                                                 
CONECT    5    3    3                                                 
CONECT    6    8    8    7    3                                       
CONECT    7   13   13    6   37                                       
CONECT    8    9    6    6   38                                       
CONECT    9   10   10    8   39                                       
CONECT   10   11    9    9   13                                       
CONECT   11   12   10                                                 
CONECT   12   11   40   41   42                                       
CONECT   13   10   14    7    7                                       
CONECT   14   15   13   17   17                                       
CONECT   15   16   16   22   14                                       
CONECT   16   25   15   15   43                                       
CONECT   17   14   14   18   44                                       
CONECT   18   20   17   19                                            
CONECT   19   18   45   46   47                                       
CONECT   20   22   21   21   18                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   15   20                                       
CONECT   23   24   22   22   48                                       
CONECT   24   25   25   23   49                                       
CONECT   25   26   24   24   16                                       
CONECT   26   27   27   28   25                                       
CONECT   27   30   26   26   50                                       
CONECT   28   29   29   26   51                                       
CONECT   29   30   28   28                                            
CONECT   30   31   29   27                                            
CONECT   31   30   52   53   54                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
