COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.606   0.175   0.626  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.251   0.077   1.040  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.806   0.445   2.339  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.780  -1.606   0.811  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.733  -2.135   1.543  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.363  -3.454   1.365  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.463  -2.396  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.097  -3.715  -0.276  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.043  -4.247   0.452  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.680  -5.545   0.276  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.424  -6.302  -0.681  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.368   0.982  -0.030  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.892   1.246  -1.372  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.645   2.578  -1.374  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.664   3.719  -1.098  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.303   2.790  -2.739  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.158   4.058  -2.701  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.064   1.520   0.367  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.961   0.555  -0.072  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.925   0.490  -1.499  1.00  0.00           O  
HETATM   21  C   UNL     1       0.389   1.053   0.450  1.00  0.00           C  
HETATM   22  C   UNL     1       0.731   2.389  -0.214  1.00  0.00           C  
HETATM   23  C   UNL     1       1.998   2.939   0.389  1.00  0.00           C  
HETATM   24  C   UNL     1       1.934   3.764   1.497  1.00  0.00           C  
HETATM   25  C   UNL     1       3.096   4.269   2.050  1.00  0.00           C  
HETATM   26  C   UNL     1       4.322   3.949   1.495  1.00  0.00           C  
HETATM   27  C   UNL     1       4.385   3.124   0.387  1.00  0.00           C  
HETATM   28  C   UNL     1       3.223   2.615  -0.162  1.00  0.00           C  
HETATM   29  N   UNL     1       1.428   0.070   0.133  1.00  0.00           N  
HETATM   30  C   UNL     1       2.547   0.008   0.881  1.00  0.00           C  
HETATM   31  O   UNL     1       2.694   0.767   1.818  1.00  0.00           O  
HETATM   32  O   UNL     1       3.502  -0.895   0.590  1.00  0.00           O  
HETATM   33  C   UNL     1       4.680  -0.906   1.438  1.00  0.00           C  
HETATM   34  C   UNL     1       5.646  -1.990   0.956  1.00  0.00           C  
HETATM   35  N   UNL     1       6.135  -1.650  -0.382  1.00  0.00           N  
HETATM   36  C   UNL     1       7.335  -0.852  -0.673  1.00  0.00           C  
HETATM   37  C   UNL     1       5.562  -2.020  -1.535  1.00  0.00           C  
HETATM   38  O   UNL     1       4.552  -2.694  -1.587  1.00  0.00           O  
HETATM   39  N   UNL     1       6.204  -1.580  -2.625  1.00  0.00           N  
HETATM   40  C   UNL     1       7.381  -0.802  -2.213  1.00  0.00           C  
HETATM   41  H   UNL     1      -2.204  -1.517   2.253  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.544  -3.867   1.936  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.283  -1.981  -0.663  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.630  -4.332  -0.984  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.033  -7.319  -0.724  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.473  -6.329  -0.387  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.334  -5.837  -1.662  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.065   1.295  -2.081  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.571   0.444  -1.661  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.411   2.563  -0.599  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.173   4.674  -1.221  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.287   3.636  -0.079  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.830   3.659  -1.799  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.532   2.894  -3.502  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.935   1.933  -2.974  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.627   4.209  -3.673  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.929   3.954  -1.938  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.526   4.915  -2.465  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.911   2.489  -0.109  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.034   1.638   1.450  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.163  -0.436   0.332  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.749   1.339  -1.928  1.00  0.00           H  
HETATM   63  H   UNL     1       0.333   1.188   1.530  1.00  0.00           H  
HETATM   64  H   UNL     1       0.874   2.237  -1.284  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.084   3.094  -0.052  1.00  0.00           H  
HETATM   66  H   UNL     1       0.977   4.014   1.930  1.00  0.00           H  
HETATM   67  H   UNL     1       3.047   4.913   2.915  1.00  0.00           H  
HETATM   68  H   UNL     1       5.229   4.344   1.927  1.00  0.00           H  
HETATM   69  H   UNL     1       5.342   2.875  -0.046  1.00  0.00           H  
HETATM   70  H   UNL     1       3.273   1.968  -1.025  1.00  0.00           H  
HETATM   71  H   UNL     1       1.310  -0.535  -0.615  1.00  0.00           H  
HETATM   72  H   UNL     1       5.172   0.066   1.389  1.00  0.00           H  
HETATM   73  H   UNL     1       4.386  -1.112   2.467  1.00  0.00           H  
HETATM   74  H   UNL     1       6.489  -2.058   1.645  1.00  0.00           H  
HETATM   75  H   UNL     1       5.128  -2.949   0.921  1.00  0.00           H  
HETATM   76  H   UNL     1       7.237   0.152  -0.260  1.00  0.00           H  
HETATM   77  H   UNL     1       8.226  -1.343  -0.280  1.00  0.00           H  
HETATM   78  H   UNL     1       5.935  -1.750  -3.542  1.00  0.00           H  
HETATM   79  H   UNL     1       7.305   0.227  -2.564  1.00  0.00           H  
HETATM   80  H   UNL     1       8.294  -1.268  -2.584  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4   12    1    1                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    5    5    7    2                                       
CONECT    5    6    4    4   41                                       
CONECT    6    9    9    5   42                                       
CONECT    7    8    8    4   43                                       
CONECT    8    9    7    7   44                                       
CONECT    9   10    6    6    8                                       
CONECT   10   11    9                                                 
CONECT   11   10   45   46   47                                       
CONECT   12   18   13    2                                            
CONECT   13   14   12   48   49                                       
CONECT   14   16   13   15   50                                       
CONECT   15   14   51   52   53                                       
CONECT   16   17   14   54   55                                       
CONECT   17   16   56   57   58                                       
CONECT   18   19   12   59   60                                       
CONECT   19   20   18   21   61                                       
CONECT   20   19   62                                                 
CONECT   21   19   22   29   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   66                                       
CONECT   25   24   24   26   67                                       
CONECT   26   27   27   25   68                                       
CONECT   27   28   26   26   69                                       
CONECT   28   23   23   27   70                                       
CONECT   29   21   30   71                                            
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33                                                 
CONECT   33   32   34   72   73                                       
CONECT   34   33   35   74   75                                       
CONECT   35   34   37   36                                            
CONECT   36   35   40   76   77                                       
CONECT   37   38   38   35   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   78                                            
CONECT   40   39   36   79   80                                       
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
