COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.531  -0.481   0.307  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.676  -0.620   1.505  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.600  -0.526  -0.510  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.895  -0.743   0.109  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.963  -0.763  -0.953  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.590   0.412  -1.325  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.571   0.394  -2.299  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.924  -0.799  -2.902  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.297  -1.974  -2.531  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.312  -1.954  -1.561  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.300  -0.278  -0.203  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.137  -0.229   0.686  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.043   0.581   0.039  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.218   1.069  -1.057  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.634  -1.650   0.946  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.683  -2.424   1.702  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.645  -3.139   1.014  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.678  -2.424   3.085  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.607  -3.848   1.708  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.640  -3.134   3.779  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.606  -3.844   3.091  1.00  0.00           C  
HETATM   22  C   UNL     1       1.970   3.034   0.344  1.00  0.00           C  
HETATM   23  C   UNL     1       2.192   1.549   0.049  1.00  0.00           C  
HETATM   24  C   UNL     1       3.548   1.116   0.610  1.00  0.00           C  
HETATM   25  C   UNL     1       3.826  -0.334   0.208  1.00  0.00           C  
HETATM   26  S   UNL     1       5.433  -0.849   0.873  1.00  0.00           S  
HETATM   27  O   UNL     1       6.488  -0.153   0.222  1.00  0.00           O  
HETATM   28  O   UNL     1       5.381  -0.939   2.290  1.00  0.00           O  
HETATM   29  O   UNL     1       5.592  -2.290   0.411  1.00  0.00           O  
HETATM   30  N   UNL     1       1.129   0.762   0.678  1.00  0.00           N  
HETATM   31  C   UNL     1       0.674   3.498  -0.324  1.00  0.00           C  
HETATM   32  C   UNL     1       0.455   4.961  -0.034  1.00  0.00           C  
HETATM   33  C   UNL     1       0.966   5.919  -0.889  1.00  0.00           C  
HETATM   34  C   UNL     1       0.766   7.261  -0.623  1.00  0.00           C  
HETATM   35  C   UNL     1       0.053   7.644   0.498  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.459   6.685   1.353  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.262   5.344   1.084  1.00  0.00           C  
HETATM   38  C   UNL     1       5.901  -2.417  -0.906  1.00  0.00           C  
HETATM   39  C   UNL     1       7.228  -2.440  -1.310  1.00  0.00           C  
HETATM   40  C   UNL     1       7.540  -2.569  -2.649  1.00  0.00           C  
HETATM   41  C   UNL     1       6.530  -2.675  -3.588  1.00  0.00           C  
HETATM   42  C   UNL     1       5.207  -2.652  -3.188  1.00  0.00           C  
HETATM   43  C   UNL     1       4.890  -2.530  -1.849  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.890  -1.697   0.637  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.099   0.062   0.815  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.314   1.344  -0.854  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.061   1.311  -2.590  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.690  -0.813  -3.663  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.573  -2.905  -3.001  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.819  -2.872  -1.273  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.185  -0.163  -1.160  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.421   0.234   1.631  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.434  -2.144  -0.005  1.00  0.00           H  
HETATM   54  H   UNL     1       0.283  -1.610   1.534  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.646  -3.142  -0.066  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.924  -1.869   3.622  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.360  -4.406   1.171  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.636  -3.134   4.859  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.358  -4.398   3.633  1.00  0.00           H  
HETATM   60  H   UNL     1       1.898   3.184   1.421  1.00  0.00           H  
HETATM   61  H   UNL     1       2.807   3.612  -0.048  1.00  0.00           H  
HETATM   62  H   UNL     1       2.176   1.386  -1.028  1.00  0.00           H  
HETATM   63  H   UNL     1       4.330   1.760   0.209  1.00  0.00           H  
HETATM   64  H   UNL     1       3.534   1.195   1.697  1.00  0.00           H  
HETATM   65  H   UNL     1       3.044  -0.979   0.609  1.00  0.00           H  
HETATM   66  H   UNL     1       3.841  -0.414  -0.879  1.00  0.00           H  
HETATM   67  H   UNL     1       1.269   0.371   1.555  1.00  0.00           H  
HETATM   68  H   UNL     1       0.746   3.348  -1.401  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.163   2.921   0.068  1.00  0.00           H  
HETATM   70  H   UNL     1       1.523   5.620  -1.764  1.00  0.00           H  
HETATM   71  H   UNL     1       1.166   8.009  -1.290  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.104   8.692   0.707  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.016   6.985   2.228  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.666   4.595   1.750  1.00  0.00           H  
HETATM   75  H   UNL     1       8.017  -2.356  -0.577  1.00  0.00           H  
HETATM   76  H   UNL     1       8.573  -2.586  -2.964  1.00  0.00           H  
HETATM   77  H   UNL     1       6.776  -2.776  -4.635  1.00  0.00           H  
HETATM   78  H   UNL     1       4.420  -2.735  -3.924  1.00  0.00           H  
HETATM   79  H   UNL     1       3.856  -2.517  -1.538  1.00  0.00           H  
CONECT    1   11    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   44   45                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   46                                       
CONECT    7    8    6    6   47                                       
CONECT    8    9    9    7   48                                       
CONECT    9   10    8    8   49                                       
CONECT   10    5    5    9   50                                       
CONECT   11   12    1   51                                            
CONECT   12   13   11   15   52                                       
CONECT   13   30   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   53   54                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   55                                       
CONECT   18   16   20   20   56                                       
CONECT   19   17   21   21   57                                       
CONECT   20   21   18   18   58                                       
CONECT   21   19   19   20   59                                       
CONECT   22   23   31   60   61                                       
CONECT   23   22   24   30   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25   24   26   65   66                                       
CONECT   26   25   27   27   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   38                                                 
CONECT   30   23   13   67                                            
CONECT   31   22   32   68   69                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   70                                       
CONECT   34   33   35   35   71                                       
CONECT   35   34   34   36   72                                       
CONECT   36   35   37   37   73                                       
CONECT   37   32   36   36   74                                       
CONECT   38   29   39   39   43                                       
CONECT   39   38   38   40   75                                       
CONECT   40   39   41   41   76                                       
CONECT   41   40   40   42   77                                       
CONECT   42   41   43   43   78                                       
CONECT   43   38   42   42   79                                       
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
