COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.210   0.675  -4.462  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.186  -0.212  -3.342  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.790   0.309  -2.150  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.432   1.644  -2.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.029   2.174  -0.844  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.679   3.485  -0.757  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.749   4.256  -1.957  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.984   1.368   0.284  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.339   0.035   0.198  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.748  -0.498  -1.015  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.115  -1.849  -1.101  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.554  -2.499  -0.005  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.727  -1.893   1.031  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.829  -3.980  -0.066  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.312  -4.466   1.301  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.587  -5.946   1.240  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.414  -6.550   0.208  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.024  -6.593   2.332  1.00  0.00           O  
HETATM   19  S   UNL     1      -2.472   2.044   1.828  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.206   3.247   2.003  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.499   0.974   2.763  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.883   2.484   1.668  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.510   3.554   0.739  1.00  0.00           C  
HETATM   24  C   UNL     1       0.894   4.012   1.038  1.00  0.00           C  
HETATM   25  C   UNL     1       1.105   5.162   1.773  1.00  0.00           C  
HETATM   26  C   UNL     1       2.393   5.582   2.048  1.00  0.00           C  
HETATM   27  C   UNL     1       3.474   4.854   1.587  1.00  0.00           C  
HETATM   28  C   UNL     1       3.271   3.704   0.851  1.00  0.00           C  
HETATM   29  C   UNL     1       1.978   3.275   0.578  1.00  0.00           C  
HETATM   30  N   UNL     1       1.769   2.109  -0.162  1.00  0.00           N  
HETATM   31  C   UNL     1       2.374   2.216  -1.495  1.00  0.00           C  
HETATM   32  C   UNL     1       2.003   0.986  -2.326  1.00  0.00           C  
HETATM   33  C   UNL     1       2.506  -0.274  -1.617  1.00  0.00           C  
HETATM   34  C   UNL     1       4.031  -0.227  -1.512  1.00  0.00           C  
HETATM   35  O   UNL     1       4.516  -1.474  -0.947  1.00  0.00           O  
HETATM   36  C   UNL     1       5.843  -1.595  -0.787  1.00  0.00           C  
HETATM   37  O   UNL     1       6.576  -0.690  -1.109  1.00  0.00           O  
HETATM   38  C   UNL     1       6.419  -2.861  -0.206  1.00  0.00           C  
HETATM   39  C   UNL     1       7.943  -2.741  -0.133  1.00  0.00           C  
HETATM   40  C   UNL     1       8.519  -4.006   0.448  1.00  0.00           C  
HETATM   41  O   UNL     1       7.786  -4.911   0.770  1.00  0.00           O  
HETATM   42  O   UNL     1       9.846  -4.128   0.608  1.00  0.00           O  
HETATM   43  C   UNL     1       1.898  -0.336  -0.213  1.00  0.00           C  
HETATM   44  C   UNL     1       2.273   0.932   0.557  1.00  0.00           C  
HETATM   45  H   UNL     1      -3.209   1.071  -4.633  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.543   0.134  -5.347  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.896   1.498  -4.259  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.468   2.273  -2.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.085   3.825  -2.706  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.773   4.252  -2.333  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.444   5.282  -1.748  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.303  -0.591   1.077  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.052  -2.316  -1.949  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.597  -4.176  -0.814  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.915  -4.508  -0.338  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.544  -4.270   2.049  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.226  -3.937   1.573  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.187  -7.543   2.244  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.200   2.034   2.189  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.561   3.181  -0.284  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.198   4.392   0.854  1.00  0.00           H  
HETATM   62  H   UNL     1       0.262   5.733   2.135  1.00  0.00           H  
HETATM   63  H   UNL     1       2.554   6.482   2.624  1.00  0.00           H  
HETATM   64  H   UNL     1       4.479   5.186   1.803  1.00  0.00           H  
HETATM   65  H   UNL     1       4.116   3.135   0.492  1.00  0.00           H  
HETATM   66  H   UNL     1       2.005   3.115  -1.991  1.00  0.00           H  
HETATM   67  H   UNL     1       3.458   2.275  -1.398  1.00  0.00           H  
HETATM   68  H   UNL     1       3.357   0.997   0.644  1.00  0.00           H  
HETATM   69  H   UNL     1       1.829   0.897   1.552  1.00  0.00           H  
HETATM   70  H   UNL     1       0.919   0.935  -2.436  1.00  0.00           H  
HETATM   71  H   UNL     1       2.465   1.059  -3.311  1.00  0.00           H  
HETATM   72  H   UNL     1       2.206  -1.155  -2.184  1.00  0.00           H  
HETATM   73  H   UNL     1       4.459  -0.088  -2.505  1.00  0.00           H  
HETATM   74  H   UNL     1       4.326   0.602  -0.869  1.00  0.00           H  
HETATM   75  H   UNL     1       0.813  -0.409  -0.289  1.00  0.00           H  
HETATM   76  H   UNL     1       2.285  -1.209   0.313  1.00  0.00           H  
HETATM   77  H   UNL     1       6.018  -3.016   0.795  1.00  0.00           H  
HETATM   78  H   UNL     1       6.152  -3.706  -0.840  1.00  0.00           H  
HETATM   79  H   UNL     1       8.344  -2.585  -1.134  1.00  0.00           H  
HETATM   80  H   UNL     1       8.210  -1.895   0.501  1.00  0.00           H  
HETATM   81  H   UNL     1      10.169  -4.958   0.984  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   10   10                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7                                                 
CONECT    7    6   49   50   51                                       
CONECT    8    5    9    9   19                                       
CONECT    9    8    8   10   52                                       
CONECT   10    3    3    9   11                                       
CONECT   11   10   12   53                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   54   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   58                                                 
CONECT   19    8   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   59                                            
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   62                                       
CONECT   26   25   25   27   63                                       
CONECT   27   26   28   28   64                                       
CONECT   28   27   27   29   65                                       
CONECT   29   24   24   28   30                                       
CONECT   30   29   31   44                                            
CONECT   31   30   32   66   67                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   43   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   77   78                                       
CONECT   39   38   40   79   80                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   81                                                 
CONECT   43   33   44   75   76                                       
CONECT   44   30   43   68   69                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   44                                                      
CONECT   69   44                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
