COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.934  -1.230   0.673  1.00  0.00           C  
HETATM    2  C   UNL     1       6.916  -0.496  -0.201  1.00  0.00           C  
HETATM    3  N   UNL     1       5.636  -0.411   0.506  1.00  0.00           N  
HETATM    4  C   UNL     1       4.583   0.198  -0.076  1.00  0.00           C  
HETATM    5  O   UNL     1       4.696   0.675  -1.185  1.00  0.00           O  
HETATM    6  C   UNL     1       3.267   0.285   0.652  1.00  0.00           C  
HETATM    7  C   UNL     1       2.248   1.019  -0.223  1.00  0.00           C  
HETATM    8  N   UNL     1       0.968   1.104   0.485  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.084   1.713  -0.097  1.00  0.00           C  
HETATM   10  O   UNL     1       0.052   2.271  -1.165  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.431   1.700   0.580  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.284   1.235   1.923  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.375   0.768  -0.182  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.650   1.346  -1.572  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.729  -0.611  -0.322  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.693   0.639   0.585  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.589  -0.245  -0.138  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.797  -0.466   0.405  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.094   0.061   1.451  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.781  -1.373  -0.289  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.176  -2.771  -0.427  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.068  -1.453   0.534  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.097  -0.814  -1.677  1.00  0.00           C  
HETATM   24  S   UNL     1       9.519  -1.335  -0.203  1.00  0.00           S  
HETATM   25  H   UNL     1       8.071  -0.684   1.607  1.00  0.00           H  
HETATM   26  H   UNL     1       7.571  -2.234   0.890  1.00  0.00           H  
HETATM   27  H   UNL     1       7.279   0.508  -0.417  1.00  0.00           H  
HETATM   28  H   UNL     1       6.779  -1.042  -1.135  1.00  0.00           H  
HETATM   29  H   UNL     1      10.304  -1.992   0.670  1.00  0.00           H  
HETATM   30  H   UNL     1       5.546  -0.793   1.393  1.00  0.00           H  
HETATM   31  H   UNL     1       2.903  -0.720   0.868  1.00  0.00           H  
HETATM   32  H   UNL     1       3.403   0.831   1.586  1.00  0.00           H  
HETATM   33  H   UNL     1       2.612   2.023  -0.439  1.00  0.00           H  
HETATM   34  H   UNL     1       2.112   0.473  -1.156  1.00  0.00           H  
HETATM   35  H   UNL     1       0.878   0.722   1.372  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.843   2.708   0.587  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.922   0.341   1.993  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.790  -0.519  -0.869  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.533  -1.023   0.668  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.402  -1.275  -0.865  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.383   0.724  -2.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.038   2.359  -1.474  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.724   1.365  -2.147  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.497   0.227   1.575  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.153   1.621   0.684  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.499  -0.456   0.633  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.780  -2.108   0.033  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.843  -1.851   1.524  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.180  -0.757  -2.263  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.809  -1.470  -2.179  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.528   0.182  -1.579  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.951  -3.169   0.563  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.888  -3.427  -0.929  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.259  -2.714  -1.013  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3   27   28                                       
CONECT    3    2    4   30                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   13   36                                       
CONECT   12   11   37                                                 
CONECT   13   15   14   16   11                                       
CONECT   14   13   41   42   43                                       
CONECT   15   13   38   39   40                                       
CONECT   16   13   17   44   45                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   22   23   21                                       
CONECT   21   20   52   53   54                                       
CONECT   22   20   46   47   48                                       
CONECT   23   20   49   50   51                                       
CONECT   24    1   29                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29   24                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
