COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.101   0.795  -0.531  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.171  -0.121   0.065  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.596  -0.008   0.275  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.956   0.019   0.633  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.347   1.211   1.533  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.181   0.919   0.167  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.212   0.762  -2.181  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.885  -1.569  -0.338  1.00  0.00           C  
HETATM    9  C   UNL     1       6.732  -1.341  -0.144  1.00  0.00           C  
HETATM   10  C   UNL     1       5.535  -1.977  -0.416  1.00  0.00           C  
HETATM   11  C   UNL     1       4.459  -1.250  -0.889  1.00  0.00           C  
HETATM   12  C   UNL     1       4.579   0.112  -1.091  1.00  0.00           C  
HETATM   13  C   UNL     1       5.776   0.748  -0.819  1.00  0.00           C  
HETATM   14  C   UNL     1       6.852   0.022  -0.345  1.00  0.00           C  
HETATM   15  C   UNL     1       2.424   2.709   0.283  1.00  0.00           C  
HETATM   16  C   UNL     1       1.257   0.464   0.090  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.199  -0.213  -0.247  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.861   0.165  -1.711  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.865  -2.485   0.348  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.568  -3.010   1.592  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.467  -3.850   2.221  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.665  -4.165   1.606  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.963  -3.640   0.363  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.065  -2.796  -0.264  1.00  0.00           C  
HETATM   25  C   UNL     1       8.869  -2.431  -0.770  1.00  0.00           C  
HETATM   26  C   UNL     1       3.329   3.569   3.923  1.00  0.00           C  
HETATM   27  C   UNL     1       2.915   2.479   1.714  1.00  0.00           C  
HETATM   28  C   UNL     1       2.959   3.814   2.459  1.00  0.00           C  
HETATM   29  C   UNL     1       4.317   1.867   1.680  1.00  0.00           C  
HETATM   30  C   UNL     1       7.904  -2.132   0.378  1.00  0.00           C  
HETATM   31  N   UNL     1       2.260   1.418  -0.391  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.489   0.274  -0.440  1.00  0.00           N  
HETATM   33  O   UNL     1       3.733   2.266  -2.180  1.00  0.00           O  
HETATM   34  O   UNL     1       2.445   0.148  -2.498  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.039   0.599  -1.945  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.502  -0.590   1.337  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.807   0.355  -0.189  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.349   1.926   0.782  1.00  0.00           O  
HETATM   39  O   UNL     1      -8.745   1.449  -1.040  1.00  0.00           O  
HETATM   40  O   UNL     1       8.580  -1.374   1.384  1.00  0.00           O  
HETATM   41  S   UNL     1       3.207   1.038  -1.695  1.00  0.00           S  
HETATM   42  H   UNL     1      -0.354   1.834  -0.319  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.158  -0.037   1.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.746  -0.863   1.238  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.763   0.854   2.476  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.482   1.848   1.718  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.951   0.559   0.849  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.071   1.456  -3.009  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.875  -0.052  -2.477  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.985  -1.673  -1.418  1.00  0.00           H  
HETATM   51  H   UNL     1       0.130  -1.835  -0.041  1.00  0.00           H  
HETATM   52  H   UNL     1       5.441  -3.041  -0.259  1.00  0.00           H  
HETATM   53  H   UNL     1       3.524  -1.747  -1.102  1.00  0.00           H  
HETATM   54  H   UNL     1       5.870   1.812  -0.976  1.00  0.00           H  
HETATM   55  H   UNL     1       7.787   0.518  -0.132  1.00  0.00           H  
HETATM   56  H   UNL     1       1.468   3.231   0.306  1.00  0.00           H  
HETATM   57  H   UNL     1       3.154   3.311  -0.259  1.00  0.00           H  
HETATM   58  H   UNL     1       1.186   0.528   1.176  1.00  0.00           H  
HETATM   59  H   UNL     1       1.551  -0.546  -0.196  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.621  -1.212  -0.136  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.598  -0.718  -2.294  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.067   0.910  -1.751  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.632  -2.764   2.072  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.234  -4.260   3.192  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.368  -4.821   2.098  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.898  -3.886  -0.117  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.300  -2.382  -1.234  1.00  0.00           H  
HETATM   68  H   UNL     1       9.225  -1.494  -1.199  1.00  0.00           H  
HETATM   69  H   UNL     1       9.717  -3.003  -0.393  1.00  0.00           H  
HETATM   70  H   UNL     1       8.354  -3.009  -1.537  1.00  0.00           H  
HETATM   71  H   UNL     1       3.360   4.521   4.454  1.00  0.00           H  
HETATM   72  H   UNL     1       2.583   2.921   4.383  1.00  0.00           H  
HETATM   73  H   UNL     1       4.307   3.092   3.976  1.00  0.00           H  
HETATM   74  H   UNL     1       2.234   1.799   2.226  1.00  0.00           H  
HETATM   75  H   UNL     1       1.980   4.292   2.406  1.00  0.00           H  
HETATM   76  H   UNL     1       3.705   4.462   1.999  1.00  0.00           H  
HETATM   77  H   UNL     1       4.703   1.788   2.696  1.00  0.00           H  
HETATM   78  H   UNL     1       4.270   0.875   1.231  1.00  0.00           H  
HETATM   79  H   UNL     1       4.976   2.502   1.089  1.00  0.00           H  
HETATM   80  H   UNL     1       7.548  -3.068   0.807  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.564   0.739  -1.288  1.00  0.00           H  
HETATM   82  H   UNL     1       0.182  -0.306  -2.207  1.00  0.00           H  
HETATM   83  H   UNL     1       8.924  -0.526   1.072  1.00  0.00           H  
CONECT    1   35   16    2   42                                       
CONECT    2    1    8   32   43                                       
CONECT    3   32   37   36   36                                       
CONECT    4   37    5   17   44                                       
CONECT    5   38    4   45   46                                       
CONECT    6   38   39   17   47                                       
CONECT    7   39   18   48   49                                       
CONECT    8    2   19   50   51                                       
CONECT    9   30   14   14   10                                       
CONECT   10    9   11   11   52                                       
CONECT   11   10   10   12   53                                       
CONECT   12   13   13   11   41                                       
CONECT   13   14   12   12   54                                       
CONECT   14    9    9   13   55                                       
CONECT   15   27   31   56   57                                       
CONECT   16    1   31   58   59                                       
CONECT   17    4    6   18   60                                       
CONECT   18    7   17   61   62                                       
CONECT   19    8   24   24   20                                       
CONECT   20   19   21   21   63                                       
CONECT   21   20   20   22   64                                       
CONECT   22   23   23   21   65                                       
CONECT   23   24   22   22   66                                       
CONECT   24   19   19   23   67                                       
CONECT   25   30   68   69   70                                       
CONECT   26   28   71   72   73                                       
CONECT   27   28   15   29   74                                       
CONECT   28   26   27   75   76                                       
CONECT   29   27   77   78   79                                       
CONECT   30   40   25    9   80                                       
CONECT   31   15   16   41                                            
CONECT   32    2    3   81                                            
CONECT   33   41   41                                                 
CONECT   34   41   41                                                 
CONECT   35    1   82                                                 
CONECT   36    3    3                                                 
CONECT   37    3    4                                                 
CONECT   38    5    6                                                 
CONECT   39    7    6                                                 
CONECT   40   30   83                                                 
CONECT   41   31   12   33   33                                       
CONECT   41   34   34                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   35                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
