COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.625   1.828  -0.228  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.708   1.504   0.808  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.977   1.732   2.184  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.364  -0.216   0.646  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.420  -0.810   1.466  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.147  -2.158   1.344  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.823  -2.920   0.394  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.534  -4.369   0.259  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.210  -5.132  -0.691  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.937  -6.479  -0.812  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.994  -7.073   0.007  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.319  -6.320   0.952  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.581  -4.971   1.078  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.773  -2.317  -0.428  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.042  -0.970  -0.295  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.308   2.318   0.464  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.119   2.927  -0.856  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.610   1.980  -1.920  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.290   1.028  -1.616  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.292   2.192  -3.207  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.910   4.234  -0.932  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.406   3.932  -0.825  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.491   5.152   0.218  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.257   2.431   1.479  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.073   1.592   1.072  1.00  0.00           C  
HETATM   26  N   UNL     1       0.085   0.279   1.275  1.00  0.00           N  
HETATM   27  N   UNL     1       1.220  -0.083   0.789  1.00  0.00           N  
HETATM   28  C   UNL     1       1.036   2.017   0.423  1.00  0.00           C  
HETATM   29  N   UNL     1       1.824   0.928   0.271  1.00  0.00           N  
HETATM   30  C   UNL     1       3.138   0.904  -0.376  1.00  0.00           C  
HETATM   31  C   UNL     1       4.169   0.304   0.583  1.00  0.00           C  
HETATM   32  N   UNL     1       4.283   1.153   1.772  1.00  0.00           N  
HETATM   33  C   UNL     1       4.706   0.625   2.938  1.00  0.00           C  
HETATM   34  C   UNL     1       4.823   1.498   4.161  1.00  0.00           C  
HETATM   35  O   UNL     1       4.992  -0.551   3.003  1.00  0.00           O  
HETATM   36  O   UNL     1       3.071   0.106  -1.560  1.00  0.00           O  
HETATM   37  C   UNL     1       4.300   0.036  -2.287  1.00  0.00           C  
HETATM   38  C   UNL     1       4.102  -0.816  -3.542  1.00  0.00           C  
HETATM   39  O   UNL     1       3.181  -0.165  -4.419  1.00  0.00           O  
HETATM   40  C   UNL     1       5.378  -0.599  -1.404  1.00  0.00           C  
HETATM   41  O   UNL     1       6.621  -0.617  -2.107  1.00  0.00           O  
HETATM   42  C   UNL     1       5.527   0.226  -0.122  1.00  0.00           C  
HETATM   43  O   UNL     1       6.479  -0.400   0.741  1.00  0.00           O  
HETATM   44  H   UNL     1      -1.897  -0.218   2.202  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.410  -2.620   1.984  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.947  -4.669  -1.331  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.461  -7.071  -1.548  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.783  -8.127  -0.091  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.581  -6.788   1.586  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.054  -4.385   1.816  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.299  -2.903  -1.167  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.777  -0.501  -0.932  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.060   3.132  -1.013  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.630   1.558  -3.853  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.706   4.727  -1.883  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.976   4.826  -1.080  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.665   3.128  -1.514  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.643   3.628   0.194  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.437   5.408   0.113  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.090   6.062   0.194  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.648   4.639   1.167  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.950   3.473   1.570  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.640   2.079   2.437  1.00  0.00           H  
HETATM   64  H   UNL     1       1.249   3.024   0.095  1.00  0.00           H  
HETATM   65  H   UNL     1       3.433   1.920  -0.639  1.00  0.00           H  
HETATM   66  H   UNL     1       3.854  -0.697   0.878  1.00  0.00           H  
HETATM   67  H   UNL     1       4.054   2.094   1.720  1.00  0.00           H  
HETATM   68  H   UNL     1       4.525   2.516   3.911  1.00  0.00           H  
HETATM   69  H   UNL     1       4.173   1.112   4.947  1.00  0.00           H  
HETATM   70  H   UNL     1       5.855   1.497   4.511  1.00  0.00           H  
HETATM   71  H   UNL     1       4.610   1.041  -2.574  1.00  0.00           H  
HETATM   72  H   UNL     1       5.058  -0.943  -4.049  1.00  0.00           H  
HETATM   73  H   UNL     1       3.707  -1.792  -3.261  1.00  0.00           H  
HETATM   74  H   UNL     1       3.008  -0.649  -5.238  1.00  0.00           H  
HETATM   75  H   UNL     1       5.087  -1.618  -1.150  1.00  0.00           H  
HETATM   76  H   UNL     1       6.598  -1.119  -2.934  1.00  0.00           H  
HETATM   77  H   UNL     1       5.866   1.231  -0.372  1.00  0.00           H  
HETATM   78  H   UNL     1       7.363  -0.482   0.358  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   16    4    1    1                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4   15    5    5    2                                       
CONECT    5    6    4    4   44                                       
CONECT    6    7    7    5   45                                       
CONECT    7    8    6    6   14                                       
CONECT    8   13    7    9    9                                       
CONECT    9    8    8   10   46                                       
CONECT   10   11   11    9   47                                       
CONECT   11   12   10   10   48                                       
CONECT   12   13   13   11   49                                       
CONECT   13   12   12    8   50                                       
CONECT   14    7   15   15   51                                       
CONECT   15   14   14    4   52                                       
CONECT   16   17   24    2                                            
CONECT   17   18   21   16   53                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   18   54                                                 
CONECT   21   23   17   22   55                                       
CONECT   22   21   56   57   58                                       
CONECT   23   21   59   60   61                                       
CONECT   24   25   16   62   63                                       
CONECT   25   26   24   28   28                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   29                                            
CONECT   28   25   25   29   64                                       
CONECT   29   27   28   30                                            
CONECT   30   29   31   36   65                                       
CONECT   31   32   30   42   66                                       
CONECT   32   33   31   67                                            
CONECT   33   34   35   35   32                                       
CONECT   34   33   68   69   70                                       
CONECT   35   33   33                                                 
CONECT   36   30   37                                                 
CONECT   37   36   40   38   71                                       
CONECT   38   37   39   72   73                                       
CONECT   39   38   74                                                 
CONECT   40   42   37   41   75                                       
CONECT   41   40   76                                                 
CONECT   42   31   43   40   77                                       
CONECT   43   42   78                                                 
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
