COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.220   0.791   0.794  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.056  -0.494   0.147  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.224   0.721  -1.709  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.642   2.574  -1.254  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.604   5.292   0.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.850   0.142  -4.005  1.00  0.00           C  
HETATM    7  C   UNL     1       0.290  -1.051  -2.268  1.00  0.00           C  
HETATM    8  O   UNL     1       8.344   0.475  -1.790  1.00  0.00           O  
HETATM    9  C   UNL     1       7.285   0.739  -1.248  1.00  0.00           C  
HETATM   10  N   UNL     1       6.561  -0.255  -0.706  1.00  0.00           N  
HETATM   11  C   UNL     1       5.357   0.002  -0.084  1.00  0.00           C  
HETATM   12  C   UNL     1       4.878   1.324  -0.015  1.00  0.00           C  
HETATM   13  C   UNL     1       5.675   2.399  -0.609  1.00  0.00           C  
HETATM   14  C   UNL     1       6.852   2.082  -1.201  1.00  0.00           C  
HETATM   15  C   UNL     1       3.657   1.590   0.613  1.00  0.00           C  
HETATM   16  C   UNL     1       2.938   0.564   1.158  1.00  0.00           C  
HETATM   17  S   UNL     1       1.400   0.900   1.950  1.00  0.00           S  
HETATM   18  O   UNL     1       1.445   2.262   2.351  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.336  -0.270  -1.316  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.837   1.495  -0.775  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.146   3.399  -0.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.107   4.479  -0.570  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.464   6.302   0.395  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.228   5.033   1.717  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.479   0.926  -3.058  1.00  0.00           C  
HETATM   26  C   UNL     1       0.034  -0.846  -3.611  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.255  -1.136   0.796  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.405  -2.475   0.759  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.351  -3.315   0.185  1.00  0.00           C  
HETATM   30  C   UNL     1       0.559  -3.800   1.283  1.00  0.00           C  
HETATM   31  O   UNL     1       1.604  -4.590   0.990  1.00  0.00           O  
HETATM   32  O   UNL     1       0.349  -3.477   2.429  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.623  -3.091   1.293  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.653  -3.198   0.198  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.796  -4.238  -0.624  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.814  -4.112  -1.553  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.498  -2.969  -1.485  1.00  0.00           C  
HETATM   38  S   UNL     1      -4.856  -1.973  -0.185  1.00  0.00           S  
HETATM   39  O   UNL     1      -2.085  -0.448   1.351  1.00  0.00           O  
HETATM   40  O   UNL     1       1.174  -0.171   2.857  1.00  0.00           O  
HETATM   41  C   UNL     1       3.408  -0.741   1.092  1.00  0.00           C  
HETATM   42  C   UNL     1       4.607  -1.026   0.477  1.00  0.00           C  
HETATM   43  H   UNL     1      -0.287   1.579   0.543  1.00  0.00           H  
HETATM   44  H   UNL     1       0.809  -1.148   0.255  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.046   3.208  -1.911  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.492   2.176  -1.807  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.049   0.300  -5.055  1.00  0.00           H  
HETATM   48  H   UNL     1       0.981  -1.823  -1.963  1.00  0.00           H  
HETATM   49  H   UNL     1       6.889  -1.166  -0.752  1.00  0.00           H  
HETATM   50  H   UNL     1       5.334   3.423  -0.572  1.00  0.00           H  
HETATM   51  H   UNL     1       7.459   2.859  -1.642  1.00  0.00           H  
HETATM   52  H   UNL     1       3.285   2.602   0.669  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.667   2.747   0.633  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.300   3.870   0.433  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.953   4.009  -1.071  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.586   5.131  -1.271  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.754   6.795   1.175  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.170   1.697  -3.366  1.00  0.00           H  
HETATM   59  H   UNL     1       0.524  -1.458  -4.353  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.802  -4.171  -0.318  1.00  0.00           H  
HETATM   61  H   UNL     1       0.226  -2.733  -0.535  1.00  0.00           H  
HETATM   62  H   UNL     1       2.159  -4.876   1.728  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.390  -4.086   1.671  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.016  -2.476   2.103  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.165  -5.113  -0.570  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.038  -4.880  -2.279  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.323  -2.697  -2.128  1.00  0.00           H  
HETATM   68  H   UNL     1       2.827  -1.541   1.527  1.00  0.00           H  
HETATM   69  H   UNL     1       4.964  -2.045   0.431  1.00  0.00           H  
CONECT    1   17    2   43                                            
CONECT    2    1   27   19   44                                       
CONECT    3   20   19   19   25                                       
CONECT    4   21   20   45   46                                       
CONECT    5   24   24   23   22                                       
CONECT    6   25   25   26   47                                       
CONECT    7   19   26   26   48                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   14   10                                       
CONECT   10    9   11   49                                            
CONECT   11   10   12   12   42                                       
CONECT   12   13   11   11   15                                       
CONECT   13   14   14   12   50                                       
CONECT   14    9   13   13   51                                       
CONECT   15   12   16   16   52                                       
CONECT   16   15   15   41   17                                       
CONECT   17   16   40   40   18                                       
CONECT   17   18    1                                                 
CONECT   18   17   17                                                 
CONECT   19    2    3    3    7                                       
CONECT   20    4    3                                                 
CONECT   21   22    4   53   54                                       
CONECT   22    5   21   55   56                                       
CONECT   23    5   57                                                 
CONECT   24    5    5                                                 
CONECT   25    3    6    6   58                                       
CONECT   26    7    7    6   59                                       
CONECT   27   39   39   28    2                                       
CONECT   28   29   27   33                                            
CONECT   29   28   30   60   61                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30   62                                                 
CONECT   32   30   30                                                 
CONECT   33   34   28   63   64                                       
CONECT   34   38   35   35   33                                       
CONECT   35   36   34   34   65                                       
CONECT   36   37   37   35   66                                       
CONECT   37   36   36   38   67                                       
CONECT   38   37   34                                                 
CONECT   39   27   27                                                 
CONECT   40   17   17                                                 
CONECT   41   42   42   16   68                                       
CONECT   42   11   41   41   69                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   41                                                      
CONECT   69   42                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
