COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.080  -0.408  -1.157  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.881  -1.786  -0.876  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.972  -2.628  -0.528  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.867  -2.559  -2.166  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.915  -1.793   0.469  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.716  -1.081   0.470  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.505  -1.759   0.433  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.488  -3.266   0.398  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.733   0.319   0.502  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.025   1.047   0.536  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.888   0.890   1.619  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.089   1.570   1.646  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.437   2.405   0.600  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.749   3.145   0.635  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.584   2.565  -0.478  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.970   3.478  -1.613  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.378   1.895  -0.512  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.535   1.025   0.503  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.546   2.531   0.539  1.00  0.00           C  
HETATM   20  C   UNL     1       0.674   0.336   0.472  1.00  0.00           C  
HETATM   21  C   UNL     1       0.682  -1.058   0.428  1.00  0.00           C  
HETATM   22  C   UNL     1       1.993  -1.800   0.394  1.00  0.00           C  
HETATM   23  O   UNL     1       1.930  -2.833  -0.591  1.00  0.00           O  
HETATM   24  C   UNL     1       3.190  -3.140  -1.193  1.00  0.00           C  
HETATM   25  C   UNL     1       3.742  -1.891  -1.883  1.00  0.00           C  
HETATM   26  C   UNL     1       4.171  -3.603  -0.115  1.00  0.00           C  
HETATM   27  C   UNL     1       3.004  -4.253  -2.226  1.00  0.00           C  
HETATM   28  C   UNL     1       2.259  -2.411   1.746  1.00  0.00           C  
HETATM   29  O   UNL     1       2.293  -3.612   1.870  1.00  0.00           O  
HETATM   30  O   UNL     1       2.459  -1.620   2.812  1.00  0.00           O  
HETATM   31  C   UNL     1       1.954   1.086   0.472  1.00  0.00           C  
HETATM   32  C   UNL     1       2.829   0.975   1.551  1.00  0.00           C  
HETATM   33  C   UNL     1       4.019   1.673   1.553  1.00  0.00           C  
HETATM   34  C   UNL     1       4.352   2.489   0.482  1.00  0.00           C  
HETATM   35  C   UNL     1       3.481   2.600  -0.600  1.00  0.00           C  
HETATM   36  C   UNL     1       2.288   1.899  -0.610  1.00  0.00           C  
HETATM   37  O   UNL     1       5.525   3.177   0.503  1.00  0.00           O  
HETATM   38  C   UNL     1       6.048   3.640  -0.744  1.00  0.00           C  
HETATM   39  C   UNL     1       4.933   4.370  -1.508  1.00  0.00           C  
HETATM   40  N   UNL     1       3.825   3.415  -1.691  1.00  0.00           N  
HETATM   41  H   UNL     1      -1.938  -2.001  -2.280  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.641  -3.587  -1.883  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.413  -2.553  -3.109  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.182  -2.293   1.256  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.561  -3.606  -0.635  1.00  0.00           H  
HETATM   46  H   UNL     1       0.441  -3.629   0.836  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.334  -3.652   0.968  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.618   0.237   2.436  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.759   1.449   2.484  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.609   4.111   1.120  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.107   3.299  -0.384  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.481   2.560   1.192  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.607   4.485  -1.409  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.527   3.112  -2.540  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.055   3.496  -1.712  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.713   2.020  -1.354  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.535   2.871   1.574  1.00  0.00           H  
HETATM   58  H   UNL     1       0.334   2.913   0.022  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.446   2.900   0.045  1.00  0.00           H  
HETATM   60  H   UNL     1       2.797  -1.108   0.144  1.00  0.00           H  
HETATM   61  H   UNL     1       3.875  -1.098  -1.147  1.00  0.00           H  
HETATM   62  H   UNL     1       4.703  -2.124  -2.342  1.00  0.00           H  
HETATM   63  H   UNL     1       3.043  -1.561  -2.651  1.00  0.00           H  
HETATM   64  H   UNL     1       3.777  -4.493   0.376  1.00  0.00           H  
HETATM   65  H   UNL     1       5.132  -3.837  -0.574  1.00  0.00           H  
HETATM   66  H   UNL     1       4.304  -2.810   0.621  1.00  0.00           H  
HETATM   67  H   UNL     1       2.304  -3.922  -2.994  1.00  0.00           H  
HETATM   68  H   UNL     1       3.964  -4.486  -2.686  1.00  0.00           H  
HETATM   69  H   UNL     1       2.610  -5.142  -1.735  1.00  0.00           H  
HETATM   70  H   UNL     1       2.626  -2.058   3.658  1.00  0.00           H  
HETATM   71  H   UNL     1       2.574   0.341   2.388  1.00  0.00           H  
HETATM   72  H   UNL     1       4.694   1.583   2.392  1.00  0.00           H  
HETATM   73  H   UNL     1       1.614   1.989  -1.449  1.00  0.00           H  
HETATM   74  H   UNL     1       6.875   4.326  -0.562  1.00  0.00           H  
HETATM   75  H   UNL     1       6.400   2.791  -1.331  1.00  0.00           H  
HETATM   76  H   UNL     1       4.588   5.233  -0.939  1.00  0.00           H  
HETATM   77  H   UNL     1       5.308   4.692  -2.479  1.00  0.00           H  
HETATM   78  H   UNL     1       3.346   3.357  -2.532  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   41   42   43                                       
CONECT    5    6    2   44                                            
CONECT    6    7    7    9    5                                       
CONECT    7   21    8    6    6                                       
CONECT    8    7   45   46   47                                       
CONECT    9   18   18    6   10                                       
CONECT   10   17    9   11   11                                       
CONECT   11   10   10   12   48                                       
CONECT   12   13   13   11   49                                       
CONECT   13   15   14   12   12                                       
CONECT   14   13   50   51   52                                       
CONECT   15   16   17   17   13                                       
CONECT   16   15   53   54   55                                       
CONECT   17   15   15   10   56                                       
CONECT   18   20   19    9    9                                       
CONECT   19   18   57   58   59                                       
CONECT   20   31   21   21   18                                       
CONECT   21   22   20   20    7                                       
CONECT   22   28   21   23   60                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24   61   62   63                                       
CONECT   26   24   64   65   66                                       
CONECT   27   24   67   68   69                                       
CONECT   28   29   29   30   22                                       
CONECT   29   28   28                                                 
CONECT   30   28   70                                                 
CONECT   31   36   20   32   32                                       
CONECT   32   31   31   33   71                                       
CONECT   33   34   34   32   72                                       
CONECT   34   35   37   33   33                                       
CONECT   35   40   36   36   34                                       
CONECT   36   35   35   31   73                                       
CONECT   37   38   34                                                 
CONECT   38   39   37   74   75                                       
CONECT   39   40   38   76   77                                       
CONECT   40   39   35   78                                            
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
