COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.451  -2.624   0.672  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.983  -0.640   0.833  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.574  -1.393   0.185  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.477  -3.243   1.226  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.890  -1.461   0.872  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.655   0.550   0.236  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.606   2.904   1.479  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.825  -0.764   0.273  1.00  0.00           C  
HETATM    9  C   UNL     1       2.744   1.684  -1.380  1.00  0.00           C  
HETATM   10  C   UNL     1       4.097   0.361   0.071  1.00  0.00           C  
HETATM   11  C   UNL     1       6.742   1.288   0.360  1.00  0.00           C  
HETATM   12  O   UNL     1       5.962  -1.256   0.610  1.00  0.00           O  
HETATM   13  S   UNL     1       5.569   0.054   0.996  1.00  0.00           S  
HETATM   14  O   UNL     1       5.210   0.349   2.339  1.00  0.00           O  
HETATM   15  C   UNL     1       5.988   2.624   0.278  1.00  0.00           C  
HETATM   16  C   UNL     1       4.986   2.559  -0.862  1.00  0.00           C  
HETATM   17  C   UNL     1       3.941   1.497  -0.690  1.00  0.00           C  
HETATM   18  C   UNL     1       1.733   0.751  -1.312  1.00  0.00           C  
HETATM   19  C   UNL     1       3.079  -0.578   0.141  1.00  0.00           C  
HETATM   20  C   UNL     1       1.900  -0.391  -0.551  1.00  0.00           C  
HETATM   21  C   UNL     1       0.803  -1.422  -0.477  1.00  0.00           C  
HETATM   22  C   UNL     1       0.843  -2.300  -1.729  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.271  -3.347  -1.654  1.00  0.00           C  
HETATM   24  C   UNL     1       0.641  -1.429  -2.970  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.496  -0.748  -0.395  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.667  -2.692   1.331  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.362   0.536  -0.126  1.00  0.00           C  
HETATM   28  S   UNL     1      -5.764   1.895  -0.020  1.00  0.00           S  
HETATM   29  O   UNL     1      -5.228   2.582  -1.142  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.047   1.285  -0.078  1.00  0.00           O  
HETATM   31  H   UNL     1      -5.861  -0.866   1.177  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.334  -4.242   1.609  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.575   3.241   1.583  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.266   3.769   1.406  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.883   2.308   2.349  1.00  0.00           H  
HETATM   36  H   UNL     1       2.605   2.577  -1.972  1.00  0.00           H  
HETATM   37  H   UNL     1       7.589   1.381   1.040  1.00  0.00           H  
HETATM   38  H   UNL     1       7.090   0.995  -0.630  1.00  0.00           H  
HETATM   39  H   UNL     1       5.462   2.805   1.215  1.00  0.00           H  
HETATM   40  H   UNL     1       6.696   3.432   0.096  1.00  0.00           H  
HETATM   41  H   UNL     1       4.489   3.526  -0.943  1.00  0.00           H  
HETATM   42  H   UNL     1       5.526   2.368  -1.789  1.00  0.00           H  
HETATM   43  H   UNL     1       0.812   0.911  -1.853  1.00  0.00           H  
HETATM   44  H   UNL     1       3.211  -1.466   0.742  1.00  0.00           H  
HETATM   45  H   UNL     1       0.947  -2.043   0.407  1.00  0.00           H  
HETATM   46  H   UNL     1       1.809  -2.802  -1.790  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.242  -3.973  -2.546  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.127  -3.967  -0.769  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.237  -2.845  -1.592  1.00  0.00           H  
HETATM   50  H   UNL     1       1.434  -0.683  -3.024  1.00  0.00           H  
HETATM   51  H   UNL     1       0.669  -2.055  -3.862  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.325  -0.928  -2.909  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.599   0.150  -0.746  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.822   1.332  -0.617  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   31                                            
CONECT    3   25    1    1    8                                       
CONECT    4    1   26   26   32                                       
CONECT    5   26    2    8    8                                       
CONECT    6    2   28   27   27                                       
CONECT    7   28   33   34   35                                       
CONECT    8   27    3    5    5                                       
CONECT    9   18   17   17   36                                       
CONECT   10   17   19   19   13                                       
CONECT   11   13   15   37   38                                       
CONECT   12   13   13                                                 
CONECT   13   10   14   14   12                                       
CONECT   13   12   11                                                 
CONECT   14   13   13                                                 
CONECT   15   11   16   39   40                                       
CONECT   16   15   17   41   42                                       
CONECT   17    9    9   10   16                                       
CONECT   18   20   20    9   43                                       
CONECT   19   10   10   20   44                                       
CONECT   20   21   18   18   19                                       
CONECT   21   22   25   20   45                                       
CONECT   22   24   23   21   46                                       
CONECT   23   22   47   48   49                                       
CONECT   24   22   50   51   52                                       
CONECT   25   21    3   53                                            
CONECT   26    4    4    5                                            
CONECT   27    6    6    8   54                                       
CONECT   28    6    7   29   29                                       
CONECT   28   30   30                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
