COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.966  -0.666   0.402  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.984  -0.146   1.184  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.642  -0.945   2.066  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.331   1.197   1.066  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.329   1.713   1.833  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.657   2.007   0.167  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.643   1.481  -0.612  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.298   0.147  -0.495  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.191  -0.421  -1.345  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.207   0.208  -2.628  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.844  -0.163  -0.668  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.765  -0.717  -1.497  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.454  -0.488  -0.876  1.00  0.00           C  
HETATM   14  C   UNL     1       0.642  -1.078  -1.767  1.00  0.00           C  
HETATM   15  C   UNL     1       1.987  -0.843  -1.130  1.00  0.00           C  
HETATM   16  C   UNL     1       2.512  -1.781  -0.259  1.00  0.00           C  
HETATM   17  C   UNL     1       3.748  -1.567   0.327  1.00  0.00           C  
HETATM   18  O   UNL     1       4.266  -2.488   1.183  1.00  0.00           O  
HETATM   19  C   UNL     1       3.479  -3.655   1.432  1.00  0.00           C  
HETATM   20  C   UNL     1       2.697   0.307  -1.421  1.00  0.00           C  
HETATM   21  C   UNL     1       3.935   0.524  -0.844  1.00  0.00           C  
HETATM   22  C   UNL     1       4.461  -0.406   0.038  1.00  0.00           C  
HETATM   23  O   UNL     1       5.678  -0.194   0.607  1.00  0.00           O  
HETATM   24  C   UNL     1       6.359   1.010   0.250  1.00  0.00           C  
HETATM   25  C   UNL     1       7.701   1.073   0.983  1.00  0.00           C  
HETATM   26  S   UNL     1       8.566   2.602   0.530  1.00  0.00           S  
HETATM   27  H   UNL     1      -5.692  -1.707   0.495  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.244  -0.969   2.948  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.030   2.069   2.681  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.925   3.049   0.073  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.118   2.113  -1.313  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.339  -1.494  -1.464  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.081   1.166  -2.599  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.696   0.910  -0.548  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.832  -0.643   0.311  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.795  -0.336  -2.430  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.289   0.583  -0.758  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.425  -0.970   0.101  1.00  0.00           H  
HETATM   39  H   UNL     1       0.478  -2.149  -1.884  1.00  0.00           H  
HETATM   40  H   UNL     1       0.614  -0.596  -2.744  1.00  0.00           H  
HETATM   41  H   UNL     1       1.957  -2.680  -0.036  1.00  0.00           H  
HETATM   42  H   UNL     1       3.311  -4.187   0.496  1.00  0.00           H  
HETATM   43  H   UNL     1       4.006  -4.306   2.130  1.00  0.00           H  
HETATM   44  H   UNL     1       2.521  -3.363   1.861  1.00  0.00           H  
HETATM   45  H   UNL     1       2.284   1.037  -2.102  1.00  0.00           H  
HETATM   46  H   UNL     1       4.485   1.425  -1.070  1.00  0.00           H  
HETATM   47  H   UNL     1       6.532   1.025  -0.826  1.00  0.00           H  
HETATM   48  H   UNL     1       5.751   1.869   0.532  1.00  0.00           H  
HETATM   49  H   UNL     1       7.528   1.059   2.059  1.00  0.00           H  
HETATM   50  H   UNL     1       8.309   0.214   0.701  1.00  0.00           H  
HETATM   51  H   UNL     1       9.708   2.523   1.237  1.00  0.00           H  
CONECT    1    2    2    8   27                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2   28                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4   29                                                 
CONECT    6    4    4    7   30                                       
CONECT    7    8    8    6   31                                       
CONECT    8    1    9    7    7                                       
CONECT    9   11    8   10   32                                       
CONECT   10    9   33                                                 
CONECT   11   12    9   34   35                                       
CONECT   12   13   11   36                                            
CONECT   13   14   12   37   38                                       
CONECT   14   15   13   39   40                                       
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   41                                       
CONECT   17   22   18   16   16                                       
CONECT   18   17   19                                                 
CONECT   19   18   42   43   44                                       
CONECT   20   21   15   15   45                                       
CONECT   21   22   22   20   46                                       
CONECT   22   23   21   21   17                                       
CONECT   23   24   22                                                 
CONECT   24   25   23   47   48                                       
CONECT   25   26   24   49   50                                       
CONECT   26   25   51                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
