COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.056   1.426   1.516  1.00  0.00           O  
HETATM    2  C   UNL     1       5.867   1.881   0.733  1.00  0.00           C  
HETATM    3  O   UNL     1       6.815   2.739   1.165  1.00  0.00           O  
HETATM    4  C   UNL     1       5.820   1.506  -0.634  1.00  0.00           C  
HETATM    5  C   UNL     1       4.795   0.753  -1.094  1.00  0.00           C  
HETATM    6  C   UNL     1       4.854   0.166  -2.481  1.00  0.00           C  
HETATM    7  C   UNL     1       3.629   0.507  -0.245  1.00  0.00           C  
HETATM    8  C   UNL     1       2.679  -0.339  -0.646  1.00  0.00           C  
HETATM    9  C   UNL     1       1.478  -0.592   0.229  1.00  0.00           C  
HETATM   10  C   UNL     1       0.240  -0.161  -0.500  1.00  0.00           C  
HETATM   11  C   UNL     1       0.305   1.076  -1.357  1.00  0.00           C  
HETATM   12  O   UNL     1       1.603   0.173   1.430  1.00  0.00           O  
HETATM   13  C   UNL     1       1.421  -2.077   0.585  1.00  0.00           C  
HETATM   14  C   UNL     1       2.613  -2.436   1.474  1.00  0.00           C  
HETATM   15  C   UNL     1       1.468  -2.912  -0.696  1.00  0.00           C  
HETATM   16  C   UNL     1       0.113  -2.363   1.336  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.028  -2.041   0.393  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.000  -2.763   0.314  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.916  -0.822  -0.425  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.321  -0.230  -1.309  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.519   0.113   0.009  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.855   0.528  -0.611  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.865   0.817   0.501  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.201   1.232  -0.119  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.211   1.521   0.993  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.547   1.935   0.373  1.00  0.00           C  
HETATM   27  H   UNL     1       6.769   2.931   2.111  1.00  0.00           H  
HETATM   28  H   UNL     1       6.603   1.822  -1.308  1.00  0.00           H  
HETATM   29  H   UNL     1       5.319  -0.818  -2.440  1.00  0.00           H  
HETATM   30  H   UNL     1       3.844   0.074  -2.880  1.00  0.00           H  
HETATM   31  H   UNL     1       5.442   0.819  -3.127  1.00  0.00           H  
HETATM   32  H   UNL     1       3.538   1.011   0.706  1.00  0.00           H  
HETATM   33  H   UNL     1       2.770  -0.843  -1.597  1.00  0.00           H  
HETATM   34  H   UNL     1       0.643   0.807  -2.358  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.684   1.530  -1.417  1.00  0.00           H  
HETATM   36  H   UNL     1       1.004   1.787  -0.917  1.00  0.00           H  
HETATM   37  H   UNL     1       1.658   1.127   1.284  1.00  0.00           H  
HETATM   38  H   UNL     1       2.577  -1.842   2.388  1.00  0.00           H  
HETATM   39  H   UNL     1       2.571  -3.495   1.727  1.00  0.00           H  
HETATM   40  H   UNL     1       3.540  -2.226   0.941  1.00  0.00           H  
HETATM   41  H   UNL     1       2.394  -2.702  -1.233  1.00  0.00           H  
HETATM   42  H   UNL     1       1.428  -3.971  -0.441  1.00  0.00           H  
HETATM   43  H   UNL     1       0.617  -2.657  -1.328  1.00  0.00           H  
HETATM   44  H   UNL     1       0.072  -3.414   1.622  1.00  0.00           H  
HETATM   45  H   UNL     1       0.050  -1.734   2.224  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.661  -0.783   0.613  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.145   0.921   0.639  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.713   1.424  -1.215  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.229  -0.280  -1.241  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.007  -0.079   1.105  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.491   1.624   1.131  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.059   2.128  -0.723  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.575   0.424  -0.749  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.353   0.625   1.597  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.837   2.328   1.623  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.405   2.831  -0.231  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.921   1.128  -0.257  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.267   2.142   1.165  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   27                                                 
CONECT    4    5    5    2   28                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5   29   30   31                                       
CONECT    7    5    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   13   12                                       
CONECT   10   19   19    9   11                                       
CONECT   11   10   34   35   36                                       
CONECT   12    9   37                                                 
CONECT   13   16    9   15   14                                       
CONECT   14   13   38   39   40                                       
CONECT   15   13   41   42   43                                       
CONECT   16   17   13   44   45                                       
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   10   10                                       
CONECT   20   21   19                                                 
CONECT   21   22   20   46   47                                       
CONECT   22   23   21   48   49                                       
CONECT   23   24   22   50   51                                       
CONECT   24   25   23   52   53                                       
CONECT   25   26   24   54   55                                       
CONECT   26   25   56   57   58                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
