COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.717  -4.875   0.771  1.00  0.00           O  
HETATM    2  C   UNL     1       6.998  -3.707   0.585  1.00  0.00           C  
HETATM    3  N   UNL     1       8.011  -3.315  -0.200  1.00  0.00           N  
HETATM    4  C   UNL     1       8.073  -1.845  -0.206  1.00  0.00           C  
HETATM    5  N   UNL     1       6.320  -2.694   1.142  1.00  0.00           N  
HETATM    6  C   UNL     1       6.921  -1.421   0.714  1.00  0.00           C  
HETATM    7  C   UNL     1       5.857  -0.586  -0.025  1.00  0.00           C  
HETATM    8  S   UNL     1       6.069  -1.116  -1.773  1.00  0.00           S  
HETATM    9  C   UNL     1       7.891  -1.334  -1.648  1.00  0.00           C  
HETATM   10  C   UNL     1       4.453  -0.928   0.479  1.00  0.00           C  
HETATM   11  C   UNL     1       3.434   0.002  -0.182  1.00  0.00           C  
HETATM   12  C   UNL     1       2.030  -0.340   0.322  1.00  0.00           C  
HETATM   13  C   UNL     1       1.011   0.590  -0.338  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.372   0.253   0.158  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.526  -0.643   0.961  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.437   0.947  -0.290  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.722   0.634   0.171  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.805   1.419  -0.204  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.063   0.837  -0.402  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.245  -0.621  -0.213  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.288  -1.096   0.584  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.458  -2.445   0.760  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.585  -3.345   0.141  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.767  -4.797   0.329  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.926  -5.664  -0.267  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.164  -7.078  -0.038  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.675  -5.211   1.023  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.541  -2.868  -0.657  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.376  -1.519  -0.835  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.143   1.634  -0.777  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.976   2.993  -0.955  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.739   3.577  -0.762  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.648   2.799  -0.381  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.324   3.429  -0.169  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.760   4.221  -1.171  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.535   4.805  -0.976  1.00  0.00           C  
HETATM   37  C   UNL     1       0.150   4.607   0.227  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.416   3.814   1.230  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.644   3.235   1.034  1.00  0.00           C  
HETATM   40  C   UNL     1       1.469   5.234   0.437  1.00  0.00           C  
HETATM   41  O   UNL     1       1.960   5.922  -0.435  1.00  0.00           O  
HETATM   42  O   UNL     1       2.128   5.042   1.597  1.00  0.00           O  
HETATM   43  C   UNL     1       3.421   5.690   1.734  1.00  0.00           C  
HETATM   44  H   UNL     1       8.607  -3.905  -0.687  1.00  0.00           H  
HETATM   45  H   UNL     1       5.557  -2.785   1.734  1.00  0.00           H  
HETATM   46  H   UNL     1       9.026  -1.506   0.202  1.00  0.00           H  
HETATM   47  H   UNL     1       7.307  -0.873   1.574  1.00  0.00           H  
HETATM   48  H   UNL     1       8.405  -0.383  -1.790  1.00  0.00           H  
HETATM   49  H   UNL     1       8.242  -2.075  -2.368  1.00  0.00           H  
HETATM   50  H   UNL     1       6.059   0.480   0.083  1.00  0.00           H  
HETATM   51  H   UNL     1       4.219  -1.962   0.227  1.00  0.00           H  
HETATM   52  H   UNL     1       4.415  -0.800   1.561  1.00  0.00           H  
HETATM   53  H   UNL     1       3.668   1.036   0.070  1.00  0.00           H  
HETATM   54  H   UNL     1       3.473  -0.126  -1.263  1.00  0.00           H  
HETATM   55  H   UNL     1       1.796  -1.374   0.070  1.00  0.00           H  
HETATM   56  H   UNL     1       1.991  -0.212   1.404  1.00  0.00           H  
HETATM   57  H   UNL     1       1.245   1.624  -0.086  1.00  0.00           H  
HETATM   58  H   UNL     1       1.049   0.462  -1.420  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.313   1.663  -0.933  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.855  -0.131   0.752  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.114   1.186  -0.930  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.962  -0.400   1.062  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.572  -1.150  -1.455  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.265  -2.812   1.377  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.866  -3.563  -1.135  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.095  -7.289   1.029  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.159  -7.341  -0.396  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.418  -7.664  -0.574  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.818   3.604  -1.246  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.619   4.641  -0.903  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.289   4.374  -2.100  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.083   2.626   1.811  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.099   5.417  -1.752  1.00  0.00           H  
HETATM   74  H   UNL     1       0.112   3.660   2.159  1.00  0.00           H  
HETATM   75  H   UNL     1       3.298   6.769   1.641  1.00  0.00           H  
HETATM   76  H   UNL     1       3.842   5.455   2.711  1.00  0.00           H  
HETATM   77  H   UNL     1       4.091   5.332   0.953  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   44                                            
CONECT    4    3    6    9   46                                       
CONECT    5    2    6   45                                            
CONECT    6    4    5    7   47                                       
CONECT    7    6    8   10   50                                       
CONECT    8    7    9                                                 
CONECT    9    4    8   48   49                                       
CONECT   10    7   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   59                                            
CONECT   17   16   18   60                                            
CONECT   18   17   19   33   33                                       
CONECT   19   18   20   30   30                                       
CONECT   20   19   21   29   29                                       
CONECT   21   20   22   22   62                                       
CONECT   22   21   21   23   64                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   27   27                                       
CONECT   25   24   26                                                 
CONECT   26   25   66   67   68                                       
CONECT   27   24   24                                                 
CONECT   28   23   23   29   65                                       
CONECT   29   20   20   28   63                                       
CONECT   30   19   19   31   61                                       
CONECT   31   30   32   32   69                                       
CONECT   32   31   31   33   70                                       
CONECT   33   18   18   32   34                                       
CONECT   34   33   35   39   39                                       
CONECT   35   34   36   36   71                                       
CONECT   36   35   35   37   73                                       
CONECT   37   36   38   38   40                                       
CONECT   38   37   37   39   74                                       
CONECT   39   34   34   38   72                                       
CONECT   40   37   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43                                                 
CONECT   43   42   75   76   77                                       
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    7                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   30                                                      
CONECT   62   21                                                      
CONECT   63   29                                                      
CONECT   64   22                                                      
CONECT   65   28                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   39                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
