COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.805   8.015   1.478  1.00  0.00           O  
HETATM    2  S   UNL     1       1.460   8.411   1.863  1.00  0.00           S  
HETATM    3  O   UNL     1       1.273   9.372   2.938  1.00  0.00           O  
HETATM    4  C   UNL     1       0.678   9.094   0.429  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   8.709  -0.824  1.00  0.00           C  
HETATM    6  C   UNL     1       0.501   9.247  -1.954  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.543  10.161  -1.810  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.971  10.536  -0.536  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.355   9.998   0.593  1.00  0.00           C  
HETATM   10  C   UNL     1       0.514   7.006   2.157  1.00  0.00           C  
HETATM   11  C   UNL     1       0.851   6.242   3.203  1.00  0.00           C  
HETATM   12  C   UNL     1       0.120   4.980   3.570  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.415   4.996   5.012  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.207   3.746   5.422  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.772   3.805   6.819  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.016   3.333   7.881  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.539   3.388   9.173  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.812   3.915   9.387  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.563   4.387   8.310  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.040   4.332   7.018  1.00  0.00           C  
HETATM   21  N   UNL     1       1.043   3.882   3.394  1.00  0.00           N  
HETATM   22  C   UNL     1       1.197   3.211   2.189  1.00  0.00           C  
HETATM   23  O   UNL     1       0.580   3.468   1.157  1.00  0.00           O  
HETATM   24  C   UNL     1       2.258   2.118   2.262  1.00  0.00           C  
HETATM   25  C   UNL     1       3.653   2.626   1.868  1.00  0.00           C  
HETATM   26  C   UNL     1       3.697   3.111   0.412  1.00  0.00           C  
HETATM   27  C   UNL     1       5.094   3.553  -0.017  1.00  0.00           C  
HETATM   28  N   UNL     1       5.544   4.669   0.779  1.00  0.00           N  
HETATM   29  C   UNL     1       5.317   6.008   0.536  1.00  0.00           C  
HETATM   30  N   UNL     1       4.628   6.401  -0.503  1.00  0.00           N  
HETATM   31  N   UNL     1       5.845   6.903   1.433  1.00  0.00           N  
HETATM   32  N   UNL     1       1.826   1.092   1.340  1.00  0.00           N  
HETATM   33  C   UNL     1       2.093  -0.256   1.554  1.00  0.00           C  
HETATM   34  O   UNL     1       2.715  -0.644   2.548  1.00  0.00           O  
HETATM   35  N   UNL     1       1.615  -1.132   0.563  1.00  0.00           N  
HETATM   36  C   UNL     1       2.017  -2.539   0.609  1.00  0.00           C  
HETATM   37  C   UNL     1       0.859  -3.477   0.278  1.00  0.00           C  
HETATM   38  C   UNL     1       0.870  -0.744  -0.641  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.246  -1.740  -0.968  1.00  0.00           C  
HETATM   40  N   UNL     1       0.261  -3.117  -1.014  1.00  0.00           N  
HETATM   41  C   UNL     1      -0.813  -4.048  -1.360  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.012  -4.721  -0.522  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.529  -4.645  -2.231  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.728  -3.498  -1.595  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.044  -1.652  -0.218  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.680  -1.470  -1.939  1.00  0.00           H  
HETATM   47  H   UNL     1       1.594  -0.691  -1.463  1.00  0.00           H  
HETATM   48  H   UNL     1       0.415   0.243  -0.532  1.00  0.00           H  
HETATM   49  H   UNL     1       2.428  -2.795   1.591  1.00  0.00           H  
HETATM   50  H   UNL     1       2.828  -2.661  -0.120  1.00  0.00           H  
HETATM   51  H   UNL     1       1.241  -4.504   0.238  1.00  0.00           H  
HETATM   52  H   UNL     1       0.107  -3.436   1.077  1.00  0.00           H  
HETATM   53  H   UNL     1       1.399   1.411   0.481  1.00  0.00           H  
HETATM   54  H   UNL     1       2.291   1.696   3.273  1.00  0.00           H  
HETATM   55  H   UNL     1       3.968   3.435   2.538  1.00  0.00           H  
HETATM   56  H   UNL     1       4.382   1.813   1.988  1.00  0.00           H  
HETATM   57  H   UNL     1       3.374   2.295  -0.245  1.00  0.00           H  
HETATM   58  H   UNL     1       2.990   3.937   0.269  1.00  0.00           H  
HETATM   59  H   UNL     1       5.806   2.726   0.069  1.00  0.00           H  
HETATM   60  H   UNL     1       5.072   3.859  -1.069  1.00  0.00           H  
HETATM   61  H   UNL     1       6.088   4.431   1.605  1.00  0.00           H  
HETATM   62  H   UNL     1       4.579   7.426  -0.493  1.00  0.00           H  
HETATM   63  H   UNL     1       6.381   6.608   2.241  1.00  0.00           H  
HETATM   64  H   UNL     1       5.714   7.902   1.313  1.00  0.00           H  
HETATM   65  H   UNL     1       1.604   3.588   4.188  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.704   4.787   2.873  1.00  0.00           H  
HETATM   67  H   UNL     1       0.425   5.112   5.711  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.039   5.889   5.150  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.006   3.553   4.697  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.544   2.872   5.364  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.023   2.921   7.723  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.955   3.021  10.011  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.220   3.959  10.393  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.554   4.798   8.477  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.631   4.702   6.185  1.00  0.00           H  
HETATM   76  H   UNL     1       1.695   6.521   3.830  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.315   6.771   1.501  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.696  10.298   1.581  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.785  11.247  -0.425  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.023  10.580  -2.689  1.00  0.00           H  
HETATM   81  H   UNL     1       0.835   8.956  -2.945  1.00  0.00           H  
HETATM   82  H   UNL     1       1.929   7.997  -0.947  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   10    3                                       
CONECT    2    3    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    9    5    5                                       
CONECT    5    4    4    6   82                                       
CONECT    6    5    7    7   81                                       
CONECT    7    6    6    8   80                                       
CONECT    8    7    9    9   79                                       
CONECT    9    4    8    8   78                                       
CONECT   10    2   11   11   77                                       
CONECT   11   10   10   12   76                                       
CONECT   12   11   21   13   66                                       
CONECT   13   12   14   67   68                                       
CONECT   14   13   15   69   70                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   71                                       
CONECT   17   16   18   18   72                                       
CONECT   18   17   17   19   73                                       
CONECT   19   18   20   20   74                                       
CONECT   20   15   19   19   75                                       
CONECT   21   12   22   65                                            
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   32   25   54                                       
CONECT   25   24   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28   59   60                                       
CONECT   28   27   29   61                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   62                                            
CONECT   31   29   63   64                                            
CONECT   32   24   33   53                                            
CONECT   33   32   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   38   36                                            
CONECT   36   35   37   49   50                                       
CONECT   37   36   40   51   52                                       
CONECT   38   35   39   47   48                                       
CONECT   39   38   40   45   46                                       
CONECT   40   37   39   41                                            
CONECT   41   40   42   43   44                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
CONECT   45   39                                                      
CONECT   46   39                                                      
CONECT   47   38                                                      
CONECT   48   38                                                      
CONECT   49   36                                                      
CONECT   50   36                                                      
CONECT   51   37                                                      
CONECT   52   37                                                      
CONECT   53   32                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   21                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   11                                                      
CONECT   77   10                                                      
CONECT   78    9                                                      
CONECT   79    8                                                      
CONECT   80    7                                                      
CONECT   81    6                                                      
CONECT   82    5                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
