COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.776   2.092  -0.767  1.00  0.00           C  
HETATM    2  C   UNL     1       5.399   3.356  -0.332  1.00  0.00           C  
HETATM    3  C   UNL     1       4.181   3.531   0.311  1.00  0.00           C  
HETATM    4  C   UNL     1       3.348   2.449   0.515  1.00  0.00           C  
HETATM    5  C   UNL     1       3.726   1.192   0.080  1.00  0.00           C  
HETATM    6  C   UNL     1       4.938   1.014  -0.561  1.00  0.00           C  
HETATM    7  S   UNL     1       2.660  -0.187   0.343  1.00  0.00           S  
HETATM    8  O   UNL     1       3.466  -1.349   0.205  1.00  0.00           O  
HETATM    9  O   UNL     1       1.909   0.104   1.513  1.00  0.00           O  
HETATM   10  N   UNL     1       1.579  -0.216  -0.911  1.00  0.00           N  
HETATM   11  C   UNL     1       1.885  -0.977  -2.125  1.00  0.00           C  
HETATM   12  C   UNL     1       1.299  -2.361  -2.013  1.00  0.00           C  
HETATM   13  C   UNL     1       1.990  -3.352  -1.340  1.00  0.00           C  
HETATM   14  C   UNL     1       1.452  -4.621  -1.237  1.00  0.00           C  
HETATM   15  C   UNL     1       0.222  -4.899  -1.805  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.469  -3.907  -2.477  1.00  0.00           C  
HETATM   17  C   UNL     1       0.067  -2.637  -2.576  1.00  0.00           C  
HETATM   18  C   UNL     1       0.316   0.519  -0.807  1.00  0.00           C  
HETATM   19  C   UNL     1       0.098   1.392  -2.061  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.749   0.559  -2.954  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.712  -0.099  -2.035  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.875  -0.462  -0.789  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.668  -0.278   0.428  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.942  -1.420   1.304  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.768  -1.642   2.222  1.00  0.00           C  
HETATM   26  C   UNL     1       0.260  -2.483   1.839  1.00  0.00           C  
HETATM   27  C   UNL     1       1.337  -2.687   2.682  1.00  0.00           C  
HETATM   28  C   UNL     1       1.386  -2.049   3.907  1.00  0.00           C  
HETATM   29  C   UNL     1       0.358  -1.207   4.290  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.717  -1.000   3.446  1.00  0.00           C  
HETATM   31  S   UNL     1      -2.255   1.221   0.815  1.00  0.00           S  
HETATM   32  C   UNL     1      -3.925   1.288   0.255  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.937   0.764   1.039  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.246   0.815   0.604  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.546   1.393  -0.623  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.528   1.918  -1.408  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.221   1.870  -0.964  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.305   1.279   2.234  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.530   2.153   0.024  1.00  0.00           O  
HETATM   40  N   UNL     1      -7.870   1.446  -1.067  1.00  0.00           N  
HETATM   41  N   UNL     1       6.245   4.449  -0.539  1.00  0.00           N  
HETATM   42  H   UNL     1       6.721   1.954  -1.272  1.00  0.00           H  
HETATM   43  H   UNL     1       3.885   4.513   0.652  1.00  0.00           H  
HETATM   44  H   UNL     1       2.400   2.584   1.015  1.00  0.00           H  
HETATM   45  H   UNL     1       5.230   0.031  -0.899  1.00  0.00           H  
HETATM   46  H   UNL     1       1.457  -0.470  -2.990  1.00  0.00           H  
HETATM   47  H   UNL     1       2.966  -1.049  -2.245  1.00  0.00           H  
HETATM   48  H   UNL     1       2.950  -3.134  -0.897  1.00  0.00           H  
HETATM   49  H   UNL     1       1.992  -5.395  -0.713  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.198  -5.890  -1.725  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.429  -4.125  -2.921  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.475  -1.862  -3.097  1.00  0.00           H  
HETATM   53  H   UNL     1       0.311   1.136   0.092  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.420   2.314  -1.797  1.00  0.00           H  
HETATM   55  H   UNL     1       1.051   1.614  -2.540  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.192  -0.124  -3.445  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.513   0.589  -1.767  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.121  -0.999  -2.494  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.519  -1.490  -0.859  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.834  -1.218   1.897  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.103  -2.312   0.698  1.00  0.00           H  
HETATM   62  H   UNL     1       0.222  -2.981   0.882  1.00  0.00           H  
HETATM   63  H   UNL     1       2.140  -3.344   2.383  1.00  0.00           H  
HETATM   64  H   UNL     1       2.227  -2.208   4.566  1.00  0.00           H  
HETATM   65  H   UNL     1       0.396  -0.709   5.248  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.518  -0.340   3.743  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.702   0.314   1.993  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.036   0.405   1.216  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.758   2.369  -2.362  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.429   2.282  -1.571  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.580   1.078  -0.518  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.078   1.849  -1.924  1.00  0.00           H  
HETATM   73  H   UNL     1       7.096   4.325  -0.988  1.00  0.00           H  
HETATM   74  H   UNL     1       5.981   5.331  -0.234  1.00  0.00           H  
CONECT    1    2    2    6   42                                       
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    7    6    6                                       
CONECT    6    1    5    5   45                                       
CONECT    7    5    9    9   10                                       
CONECT    7    8    8                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   18   11                                            
CONECT   11   10   12   46   47                                       
CONECT   12   11   17   13   13                                       
CONECT   13   12   12   14   48                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   50                                       
CONECT   16   15   17   17   51                                       
CONECT   17   12   16   16   52                                       
CONECT   18   10   22   19   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56                                            
CONECT   21   20   22   57   58                                       
CONECT   22   18   21   23   59                                       
CONECT   23   22   31   24                                            
CONECT   24   23   25   60   61                                       
CONECT   25   24   30   26   26                                       
CONECT   26   25   25   27   62                                       
CONECT   27   26   28   28   63                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   30   30   65                                       
CONECT   30   25   29   29   66                                       
CONECT   31   23   38   38   32                                       
CONECT   31   39   39                                                 
CONECT   32   31   33   37   37                                       
CONECT   33   32   34   34   67                                       
CONECT   34   33   33   35   68                                       
CONECT   35   34   40   36   36                                       
CONECT   36   35   35   37   69                                       
CONECT   37   32   32   36   70                                       
CONECT   38   31   31                                                 
CONECT   39   31   31                                                 
CONECT   40   35   71   72                                            
CONECT   41    2   73   74                                            
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
