COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.692   1.803  -0.773  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.172  -0.192   2.484  1.00  0.00           C  
HETATM    3  C   UNL     1       1.074  -0.461   2.036  1.00  0.00           C  
HETATM    4  C   UNL     1       2.455  -0.264   2.036  1.00  0.00           C  
HETATM    5  C   UNL     1       3.217  -0.358   3.298  1.00  0.00           C  
HETATM    6  C   UNL     1       2.398   0.121  -0.337  1.00  0.00           C  
HETATM    7  C   UNL     1       4.606   0.237   0.832  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.590  -1.295  -0.145  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.552  -2.180  -1.286  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.074  -2.134  -1.136  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.948  -0.641  -1.212  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.351   0.760  -1.681  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.103   1.534   0.678  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.710   0.104   1.056  1.00  0.00           C  
HETATM   15  C   UNL     1       0.366  -0.372   0.847  1.00  0.00           C  
HETATM   16  C   UNL     1       1.030  -0.081  -0.338  1.00  0.00           C  
HETATM   17  C   UNL     1       3.114   0.023   0.838  1.00  0.00           C  
HETATM   18  C   UNL     1       5.262  -0.852   0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       5.478  -2.094   0.596  1.00  0.00           C  
HETATM   20  C   UNL     1       6.085  -3.095  -0.138  1.00  0.00           C  
HETATM   21  C   UNL     1       6.478  -2.854  -1.447  1.00  0.00           C  
HETATM   22  C   UNL     1       6.262  -1.610  -2.017  1.00  0.00           C  
HETATM   23  C   UNL     1       5.652  -0.605  -1.278  1.00  0.00           C  
HETATM   24  C   UNL     1       4.915   1.587   0.229  1.00  0.00           C  
HETATM   25  C   UNL     1       5.311   1.698  -1.052  1.00  0.00           C  
HETATM   26  C   UNL     1       5.633   3.031  -1.676  1.00  0.00           C  
HETATM   27  C   UNL     1       4.773   2.718   1.054  1.00  0.00           C  
HETATM   28  C   UNL     1       5.037   3.968   0.595  1.00  0.00           C  
HETATM   29  C   UNL     1       5.457   4.167  -0.719  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.932  -1.398  -0.214  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.019  -0.575   0.841  1.00  0.00           N  
HETATM   32  O   UNL     1      -5.532  -0.795  -1.332  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.916   0.956  -3.028  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.121   3.110  -1.157  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.517   1.692   0.810  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.705  -1.484   2.877  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.332  -0.814   0.154  1.00  0.00           O  
HETATM   38  O   UNL     1       4.281  -0.944   3.322  1.00  0.00           O  
HETATM   39  O   UNL     1       2.733   0.207   4.421  1.00  0.00           O  
HETATM   40  O   UNL     1       7.076  -3.838  -2.169  1.00  0.00           O  
HETATM   41  O   UNL     1       5.438   0.607  -1.836  1.00  0.00           O  
HETATM   42  O   UNL     1       5.686   5.299  -1.100  1.00  0.00           O  
HETATM   43  S   UNL     1      -0.610  -2.079  -1.310  1.00  0.00           S  
HETATM   44  H   UNL     1      -5.608   1.733  -0.865  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.768   0.561   3.160  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.260  -0.172   2.525  1.00  0.00           H  
HETATM   47  H   UNL     1       0.559  -0.688   2.958  1.00  0.00           H  
HETATM   48  H   UNL     1       2.909   0.347  -1.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.212  -3.214  -1.225  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.270  -1.761  -2.252  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.532  -2.787  -1.879  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.351  -2.470  -0.137  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.448  -1.388  -1.828  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.434   0.863  -1.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.595   2.238   1.337  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.627  -0.004   0.994  1.00  0.00           H  
HETATM   57  H   UNL     1       0.475  -0.002  -1.261  1.00  0.00           H  
HETATM   58  H   UNL     1       5.173  -2.283   1.614  1.00  0.00           H  
HETATM   59  H   UNL     1       6.253  -4.065   0.306  1.00  0.00           H  
HETATM   60  H   UNL     1       6.568  -1.421  -3.035  1.00  0.00           H  
HETATM   61  H   UNL     1       6.666   3.018  -2.022  1.00  0.00           H  
HETATM   62  H   UNL     1       4.976   3.187  -2.532  1.00  0.00           H  
HETATM   63  H   UNL     1       4.448   2.589   2.076  1.00  0.00           H  
HETATM   64  H   UNL     1       4.921   4.816   1.253  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.487  -0.953   0.445  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.568  -0.198   1.546  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.295   0.328  -3.658  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.898   3.345  -2.069  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.837   2.576   0.582  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.961  -1.739   3.774  1.00  0.00           H  
HETATM   71  H   UNL     1       3.268   0.119   5.222  1.00  0.00           H  
HETATM   72  H   UNL     1       6.459  -4.392  -2.666  1.00  0.00           H  
HETATM   73  H   UNL     1       4.977   0.206   1.856  1.00  0.00           H  
CONECT    1   13   12   34   44                                       
CONECT    2   36   14   45   46                                       
CONECT    3    4    4   15   47                                       
CONECT    4    5    3    3   17                                       
CONECT    5   38   38   39    4                                       
CONECT    6   17   17   16   48                                       
CONECT    7   17   18   24   73                                       
CONECT    8   31   30   43   43                                       
CONECT    9   30   10   49   50                                       
CONECT   10    9   32   51   52                                       
CONECT   11   37   32   12   53                                       
CONECT   12   11    1   33   54                                       
CONECT   13   35   14    1   55                                       
CONECT   14    2   37   13   56                                       
CONECT   15    3   31   16   16                                       
CONECT   16   15   15    6   57                                       
CONECT   17    4    7    6    6                                       
CONECT   18   19    7   23   23                                       
CONECT   19   20   20   18   58                                       
CONECT   20   19   19   21   59                                       
CONECT   21   20   40   22   22                                       
CONECT   22   21   21   23   60                                       
CONECT   23   18   18   22   41                                       
CONECT   24    7   27   25   25                                       
CONECT   25   24   24   41   26                                       
CONECT   26   25   29   61   62                                       
CONECT   27   24   28   28   63                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   26   42   42                                       
CONECT   30    8    9   65                                            
CONECT   31   15    8   66                                            
CONECT   32   11   10                                                 
CONECT   33   12   67                                                 
CONECT   34    1   68                                                 
CONECT   35   13   69                                                 
CONECT   36    2   70                                                 
CONECT   37   14   11                                                 
CONECT   38    5    5                                                 
CONECT   39    5   71                                                 
CONECT   40   21   72                                                 
CONECT   41   23   25                                                 
CONECT   42   29   29                                                 
CONECT   43    8    8                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73    7                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
