COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      11.623   2.815   0.030  1.00  0.00           S  
HETATM    2  O   UNL     1      11.887   3.137   1.388  1.00  0.00           O  
HETATM    3  O   UNL     1      10.711   3.546  -0.779  1.00  0.00           O  
HETATM    4  O   UNL     1      12.963   2.856  -0.691  1.00  0.00           O  
HETATM    5  C   UNL     1       1.947   4.057   0.011  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.948  -4.056  -0.027  1.00  0.00           C  
HETATM    7  N   UNL     1       9.829  -2.859  -0.021  1.00  0.00           N  
HETATM    8  N   UNL     1      -9.829   2.859   0.026  1.00  0.00           N  
HETATM    9  O   UNL     1      13.177  -2.658  -1.369  1.00  0.00           O  
HETATM   10  O   UNL     1      12.248  -3.539   0.778  1.00  0.00           O  
HETATM   11  O   UNL     1     -11.891  -3.151   1.376  1.00  0.00           O  
HETATM   12  O   UNL     1     -10.709  -3.538  -0.792  1.00  0.00           O  
HETATM   13  O   UNL     1     -12.256   3.532  -0.776  1.00  0.00           O  
HETATM   14  O   UNL     1     -13.162   2.671   1.388  1.00  0.00           O  
HETATM   15  O   UNL     1       7.463  -2.070  -0.018  1.00  0.00           O  
HETATM   16  O   UNL     1      -7.463   2.070   0.021  1.00  0.00           O  
HETATM   17  O   UNL     1      13.998  -1.961   0.728  1.00  0.00           O  
HETATM   18  O   UNL     1     -12.961  -2.849  -0.703  1.00  0.00           O  
HETATM   19  O   UNL     1     -14.006   1.954  -0.693  1.00  0.00           O  
HETATM   20  C   UNL     1       1.165   1.472  -0.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.651   0.898   0.004  1.00  0.00           C  
HETATM   22  C   UNL     1       2.519   1.750  -0.001  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.000   0.628   0.007  1.00  0.00           C  
HETATM   24  C   UNL     1       7.419   1.601   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.419  -1.601   0.014  1.00  0.00           C  
HETATM   26  C   UNL     1      11.981   0.126   0.008  1.00  0.00           C  
HETATM   27  C   UNL     1       8.743   1.893   0.009  1.00  0.00           C  
HETATM   28  C   UNL     1      11.072   1.142   0.013  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.743  -1.893   0.016  1.00  0.00           C  
HETATM   30  C   UNL     1       1.651  -0.898  -0.020  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.165  -1.472  -0.013  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.980  -0.126   0.026  1.00  0.00           C  
HETATM   33  N   UNL     1       5.637  -0.002  -0.009  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.637   0.002   0.013  1.00  0.00           N  
HETATM   35  N   UNL     1       4.785   0.966  -0.004  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.785  -0.966   0.009  1.00  0.00           N  
HETATM   37  O   UNL     1       2.949   3.038   0.006  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.949  -3.038  -0.005  1.00  0.00           O  
HETATM   39  C   UNL     1      10.230  -1.527  -0.014  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.230   1.527   0.025  1.00  0.00           C  
HETATM   41  C   UNL     1       0.726   0.148  -0.010  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.725  -0.148  -0.006  1.00  0.00           C  
HETATM   43  C   UNL     1       7.892  -0.784  -0.012  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.892   0.784   0.019  1.00  0.00           C  
HETATM   45  C   UNL     1       6.973   0.266  -0.007  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.973  -0.266   0.015  1.00  0.00           C  
HETATM   47  C   UNL     1       3.448   0.697  -0.006  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.448  -0.697   0.006  1.00  0.00           C  
HETATM   49  C   UNL     1       3.000  -0.628  -0.013  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.519  -1.750   0.002  1.00  0.00           C  
HETATM   51  C   UNL     1      11.572  -1.203  -0.011  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.572   1.203   0.028  1.00  0.00           C  
HETATM   53  C   UNL     1     -11.072  -1.142   0.022  1.00  0.00           C  
HETATM   54  C   UNL     1       9.698   0.856   0.004  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.698  -0.856   0.020  1.00  0.00           C  
HETATM   56  C   UNL     1       9.268  -0.494  -0.009  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.268   0.494   0.021  1.00  0.00           C  
HETATM   58  S   UNL     1      12.779  -2.487  -0.016  1.00  0.00           S  
HETATM   59  S   UNL     1     -11.623  -2.816   0.021  1.00  0.00           S  
HETATM   60  S   UNL     1     -12.778   2.487   0.033  1.00  0.00           S  
HETATM   61  H   UNL     1      13.358   3.737  -0.738  1.00  0.00           H  
HETATM   62  H   UNL     1       2.426   5.036   0.017  1.00  0.00           H  
HETATM   63  H   UNL     1       1.327   3.960  -0.879  1.00  0.00           H  
HETATM   64  H   UNL     1       1.326   3.951   0.900  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.338  -3.947  -0.924  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.315  -3.964   0.855  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.426  -5.036  -0.031  1.00  0.00           H  
HETATM   68  H   UNL     1      10.383  -3.530  -0.451  1.00  0.00           H  
HETATM   69  H   UNL     1       8.996  -3.118   0.403  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.382   3.532   0.453  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.997   3.116  -0.400  1.00  0.00           H  
HETATM   72  H   UNL     1       7.339  -2.439  -0.903  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.337   2.441   0.904  1.00  0.00           H  
HETATM   74  H   UNL     1      14.728  -2.594   0.783  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.356  -3.730  -0.760  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.736   2.586  -0.747  1.00  0.00           H  
HETATM   77  H   UNL     1       0.448   2.280   0.006  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.306   1.922   0.005  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.713   1.439   0.011  1.00  0.00           H  
HETATM   80  H   UNL     1       6.697   2.404   0.004  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.697  -2.404   0.015  1.00  0.00           H  
HETATM   82  H   UNL     1      13.035   0.357   0.014  1.00  0.00           H  
HETATM   83  H   UNL     1       9.068   2.923   0.019  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.068  -2.923   0.014  1.00  0.00           H  
HETATM   85  H   UNL     1       1.306  -1.921  -0.025  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.448  -2.279  -0.031  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.035  -0.357   0.027  1.00  0.00           H  
HETATM   88  H   UNL     1       3.713  -1.439  -0.017  1.00  0.00           H  
CONECT    1    3    3   28    2                                       
CONECT    1    2    4                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   61                                                 
CONECT    5   37   62   63   64                                       
CONECT    6   38   65   66   67                                       
CONECT    7   39   68   69                                            
CONECT    8   40   70   71                                            
CONECT    9   58   58                                                 
CONECT   10   58   58                                                 
CONECT   11   59   59                                                 
CONECT   12   59   59                                                 
CONECT   13   60   60                                                 
CONECT   14   60   60                                                 
CONECT   15   43   72                                                 
CONECT   16   44   73                                                 
CONECT   17   58   74                                                 
CONECT   18   59   75                                                 
CONECT   19   60   76                                                 
CONECT   20   22   22   41   77                                       
CONECT   21   42   42   23   78                                       
CONECT   22   20   20   37   47                                       
CONECT   23   21   48   48   79                                       
CONECT   24   27   27   45   80                                       
CONECT   25   46   46   29   81                                       
CONECT   26   51   51   28   82                                       
CONECT   27   24   24   54   83                                       
CONECT   28    1   26   54   54                                       
CONECT   29   25   55   55   84                                       
CONECT   30   49   41   41   85                                       
CONECT   31   42   50   50   86                                       
CONECT   32   53   53   52   87                                       
CONECT   33   45   35   35                                            
CONECT   34   36   36   46                                            
CONECT   35   33   33   47                                            
CONECT   36   34   34   48                                            
CONECT   37    5   22                                                 
CONECT   38    6   50                                                 
CONECT   39    7   51   56   56                                       
CONECT   40    8   57   52   52                                       
CONECT   41   20   30   30   42                                       
CONECT   42   21   21   31   41                                       
CONECT   43   15   56   45   45                                       
CONECT   44   16   46   57   57                                       
CONECT   45   24   33   43   43                                       
CONECT   46   25   25   34   44                                       
CONECT   47   22   35   49   49                                       
CONECT   48   23   23   36   50                                       
CONECT   49   30   47   47   88                                       
CONECT   50   31   31   38   48                                       
CONECT   51   26   26   39   58                                       
CONECT   52   32   40   40   60                                       
CONECT   53   32   32   55   59                                       
CONECT   54   27   28   28   56                                       
CONECT   55   29   29   53   57                                       
CONECT   56   39   39   43   54                                       
CONECT   57   40   44   44   55                                       
CONECT   58    9    9   10   10                                       
CONECT   58   17   51                                                 
CONECT   59   11   11   12   12                                       
CONECT   59   18   53                                                 
CONECT   60   13   13   14   14                                       
CONECT   60   19   52                                                 
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   49                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
