COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.079   0.917  -0.659  1.00  0.00           C  
HETATM    2  C   UNL     1       4.786   1.239  -0.282  1.00  0.00           C  
HETATM    3  C   UNL     1       3.956   0.255   0.268  1.00  0.00           C  
HETATM    4  C   UNL     1       5.735  -1.356   0.056  1.00  0.00           C  
HETATM    5  C   UNL     1       6.552  -0.377  -0.493  1.00  0.00           C  
HETATM    6  C   UNL     1       8.243  -2.037  -0.672  1.00  0.00           C  
HETATM    7  C   UNL     1       4.200  -3.317   1.104  1.00  0.00           C  
HETATM    8  C   UNL     1       5.228   3.457  -1.012  1.00  0.00           C  
HETATM    9  C   UNL     1       1.564  -0.166   0.265  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.918   0.662  -0.805  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.688   2.341  -0.248  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.003   2.683   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.988   1.710  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.651   0.386  -0.284  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.554   3.421   0.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.525  -2.849  -0.549  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.438  -4.167  -0.786  1.00  0.00           O  
HETATM   18  S   UNL     1      -0.083   0.235   0.747  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.352   1.028  -0.521  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.596  -2.348  -0.303  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.600  -0.980   1.273  1.00  0.00           O  
HETATM   22  O   UNL     1       4.325   2.506  -0.445  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.282   2.045   0.244  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.329   0.050  -0.539  1.00  0.00           C  
HETATM   25  C   UNL     1       2.576   0.590   0.672  1.00  0.00           C  
HETATM   26  O   UNL     1       7.820  -0.687  -0.870  1.00  0.00           O  
HETATM   27  C   UNL     1       4.439  -1.049   0.433  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.285  -1.993  -0.591  1.00  0.00           C  
HETATM   29  O   UNL     1       0.062   1.386   1.568  1.00  0.00           O  
HETATM   30  N   UNL     1      -5.642  -0.602  -0.302  1.00  0.00           N  
HETATM   31  O   UNL     1       3.640  -2.009   0.965  1.00  0.00           O  
HETATM   32  H   UNL     1       6.719   1.674  -1.087  1.00  0.00           H  
HETATM   33  H   UNL     1       6.110  -2.361   0.183  1.00  0.00           H  
HETATM   34  H   UNL     1       8.184  -2.284   0.388  1.00  0.00           H  
HETATM   35  H   UNL     1       7.597  -2.708  -1.238  1.00  0.00           H  
HETATM   36  H   UNL     1       9.272  -2.149  -1.014  1.00  0.00           H  
HETATM   37  H   UNL     1       3.459  -3.986   1.541  1.00  0.00           H  
HETATM   38  H   UNL     1       4.495  -3.691   0.123  1.00  0.00           H  
HETATM   39  H   UNL     1       5.075  -3.270   1.753  1.00  0.00           H  
HETATM   40  H   UNL     1       4.735   4.426  -1.086  1.00  0.00           H  
HETATM   41  H   UNL     1       6.109   3.546  -0.376  1.00  0.00           H  
HETATM   42  H   UNL     1       5.529   3.125  -2.006  1.00  0.00           H  
HETATM   43  H   UNL     1       1.749  -1.026  -0.361  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.412   1.509  -1.269  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.888  -0.193  -1.481  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.922   3.102  -0.238  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.262   3.709   0.222  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.994   3.733   1.399  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.255   4.028  -0.337  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.621   3.551   0.701  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.260  -4.675  -0.748  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.064  -0.975  -0.753  1.00  0.00           H  
HETATM   53  H   UNL     1       2.391   1.450   1.298  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.573  -2.348   0.154  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.835  -2.053  -1.582  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.566  -0.365  -0.122  1.00  0.00           H  
CONECT    1    2    5    5   32                                       
CONECT    2   22    3    3    1                                       
CONECT    3   25    2    2   27                                       
CONECT    4   27   27    5   33                                       
CONECT    5    1    1    4   26                                       
CONECT    6   26   34   35   36                                       
CONECT    7   31   37   38   39                                       
CONECT    8   22   40   41   42                                       
CONECT    9   18   25   25   43                                       
CONECT   10   19   18   44   45                                       
CONECT   11   12   12   19   46                                       
CONECT   12   13   11   11   47                                       
CONECT   13   23   14   14   12                                       
CONECT   14   30   13   13   24                                       
CONECT   15   23   48   49   50                                       
CONECT   16   28   20   20   17                                       
CONECT   17   16   51                                                 
CONECT   18   29   29   10   21                                       
CONECT   18   21    9                                                 
CONECT   19   24   24   11   10                                       
CONECT   20   16   16                                                 
CONECT   21   18   18                                                 
CONECT   22    8    2                                                 
CONECT   23   15   13                                                 
CONECT   24   14   19   19   52                                       
CONECT   25    9    9    3   53                                       
CONECT   26    5    6                                                 
CONECT   27    3   31    4    4                                       
CONECT   28   30   16   54   55                                       
CONECT   29   18   18                                                 
CONECT   30   28   14   56                                            
CONECT   31   27    7                                                 
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
