COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.957  -1.248   0.666  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.581  -1.063   0.970  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.108  -0.738   2.270  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.763  -2.552   0.501  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.326  -3.377  -0.456  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.687  -4.545  -0.826  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.484  -4.892  -0.241  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.917  -4.066   0.718  1.00  0.00           C  
HETATM    9  O   UNL     1       0.266  -4.404   1.295  1.00  0.00           O  
HETATM   10  C   UNL     1       0.871  -5.625   0.866  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.558  -2.891   1.085  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.036   0.133  -0.038  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.734   0.404  -1.298  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.724   1.522  -1.094  1.00  0.00           C  
HETATM   15  S   UNL     1      -6.400   1.315  -0.602  1.00  0.00           S  
HETATM   16  C   UNL     1      -6.659   3.054  -0.649  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.530   3.665  -1.012  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.461   2.820  -1.253  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.858   0.921   0.330  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.614   0.312  -0.319  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.715   0.424  -1.740  1.00  0.00           O  
HETATM   22  C   UNL     1       0.632   1.058   0.164  1.00  0.00           C  
HETATM   23  C   UNL     1       0.584   2.505  -0.331  1.00  0.00           C  
HETATM   24  C   UNL     1       1.745   3.272   0.245  1.00  0.00           C  
HETATM   25  C   UNL     1       1.611   3.921   1.459  1.00  0.00           C  
HETATM   26  C   UNL     1       2.677   4.625   1.988  1.00  0.00           C  
HETATM   27  C   UNL     1       3.877   4.679   1.304  1.00  0.00           C  
HETATM   28  C   UNL     1       4.011   4.030   0.091  1.00  0.00           C  
HETATM   29  C   UNL     1       2.947   3.322  -0.436  1.00  0.00           C  
HETATM   30  N   UNL     1       1.830   0.401  -0.363  1.00  0.00           N  
HETATM   31  C   UNL     1       3.006   0.525   0.283  1.00  0.00           C  
HETATM   32  O   UNL     1       3.073   1.183   1.304  1.00  0.00           O  
HETATM   33  C   UNL     1       4.214  -0.137  -0.248  1.00  0.00           C  
HETATM   34  C   UNL     1       4.141  -0.888  -1.423  1.00  0.00           C  
HETATM   35  C   UNL     1       5.269  -1.506  -1.918  1.00  0.00           C  
HETATM   36  C   UNL     1       5.434  -0.009   0.421  1.00  0.00           C  
HETATM   37  C   UNL     1       6.561  -0.631  -0.080  1.00  0.00           C  
HETATM   38  O   UNL     1       7.750  -0.508   0.568  1.00  0.00           O  
HETATM   39  C   UNL     1       6.480  -1.384  -1.250  1.00  0.00           C  
HETATM   40  O   UNL     1       7.589  -1.996  -1.741  1.00  0.00           O  
HETATM   41  H   UNL     1      -4.266  -3.108  -0.914  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.128  -5.188  -1.573  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.985  -5.805  -0.531  1.00  0.00           H  
HETATM   44  H   UNL     1       1.807  -5.775   1.403  1.00  0.00           H  
HETATM   45  H   UNL     1       0.197  -6.457   1.070  1.00  0.00           H  
HETATM   46  H   UNL     1       1.071  -5.574  -0.205  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.117  -2.244   1.828  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.010   0.694  -2.059  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.261  -0.494  -1.621  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.590   3.551  -0.418  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.456   4.738  -1.107  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.488   3.184  -1.550  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.983   1.947  -0.016  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.741   0.916   1.414  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.537  -0.740  -0.043  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.786   1.335  -2.059  1.00  0.00           H  
HETATM   57  H   UNL     1       0.661   1.048   1.254  1.00  0.00           H  
HETATM   58  H   UNL     1       0.644   2.518  -1.420  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.351   2.967  -0.013  1.00  0.00           H  
HETATM   60  H   UNL     1       0.674   3.878   1.993  1.00  0.00           H  
HETATM   61  H   UNL     1       2.572   5.132   2.935  1.00  0.00           H  
HETATM   62  H   UNL     1       4.709   5.230   1.717  1.00  0.00           H  
HETATM   63  H   UNL     1       4.949   4.072  -0.443  1.00  0.00           H  
HETATM   64  H   UNL     1       3.053   2.811  -1.382  1.00  0.00           H  
HETATM   65  H   UNL     1       1.777  -0.124  -1.177  1.00  0.00           H  
HETATM   66  H   UNL     1       3.200  -0.985  -1.944  1.00  0.00           H  
HETATM   67  H   UNL     1       5.210  -2.086  -2.827  1.00  0.00           H  
HETATM   68  H   UNL     1       5.496   0.574   1.328  1.00  0.00           H  
HETATM   69  H   UNL     1       7.909  -1.193   1.232  1.00  0.00           H  
HETATM   70  H   UNL     1       8.098  -1.451  -2.356  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   12    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2   11   11    5                                       
CONECT    5    4    6    6   41                                       
CONECT    6    5    5    7   42                                       
CONECT    7    6    8    8   43                                       
CONECT    8    7    7   11    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   44   45   46                                       
CONECT   11    4    4    8   47                                       
CONECT   12    2   13   19                                            
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   18   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   50                                       
CONECT   17   16   16   18   51                                       
CONECT   18   14   14   17   52                                       
CONECT   19   12   20   53   54                                       
CONECT   20   19   22   21   55                                       
CONECT   21   20   56                                                 
CONECT   22   20   30   23   57                                       
CONECT   23   22   24   58   59                                       
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   60                                       
CONECT   26   25   25   27   61                                       
CONECT   27   26   28   28   62                                       
CONECT   28   27   27   29   63                                       
CONECT   29   24   24   28   64                                       
CONECT   30   22   31   65                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   36   34   34                                       
CONECT   34   33   33   35   66                                       
CONECT   35   34   39   39   67                                       
CONECT   36   33   37   37   68                                       
CONECT   37   36   36   38   39                                       
CONECT   38   37   69                                                 
CONECT   39   35   35   37   40                                       
CONECT   40   39   70                                                 
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
