COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.472  -0.556   0.317  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.573   4.282   1.335  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.139  -0.704  -0.316  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.056  -1.744   0.331  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.909  -2.413  -0.748  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.826  -3.453  -0.100  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.979  -4.576   0.500  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.896  -5.616   1.148  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.836  -6.197   0.089  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.683  -5.073  -0.511  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.766  -4.033  -1.159  1.00  0.00           C  
HETATM   12  C   UNL     1       0.938   0.760   0.807  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.507   3.976   0.280  1.00  0.00           C  
HETATM   14  C   UNL     1       2.309   0.361   0.326  1.00  0.00           C  
HETATM   15  C   UNL     1       2.735  -0.948   0.466  1.00  0.00           C  
HETATM   16  C   UNL     1       3.988  -1.319   0.022  1.00  0.00           C  
HETATM   17  C   UNL     1       4.822  -0.376  -0.567  1.00  0.00           C  
HETATM   18  C   UNL     1       4.391   0.938  -0.705  1.00  0.00           C  
HETATM   19  C   UNL     1       3.136   1.302  -0.258  1.00  0.00           C  
HETATM   20  C   UNL     1       8.896  -0.927  -0.011  1.00  0.00           C  
HETATM   21  C   UNL     1       6.977  -1.414   1.482  1.00  0.00           C  
HETATM   22  C   UNL     1       7.407   0.922   0.707  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.102   4.167  -1.116  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.578   5.612  -1.276  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.643   5.918  -0.221  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.049   5.727   1.176  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.826   2.235   0.003  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.074   0.573  -0.324  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.285  -0.034   0.763  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.407   0.961   0.143  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.052   2.592   0.433  1.00  0.00           N  
HETATM   32  O   UNL     1       9.854  -0.795   0.919  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.097   3.061  -0.512  1.00  0.00           O  
HETATM   34  O   UNL     1       9.174  -1.343  -1.111  1.00  0.00           O  
HETATM   35  S   UNL     1       6.423  -0.844  -1.135  1.00  0.00           S  
HETATM   36  H   UNL     1      -5.418   3.605   1.204  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.149   4.146   2.330  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.489  -1.194  -1.041  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.743   0.050  -0.821  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.451  -2.497   0.836  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.705  -1.254   1.057  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.514  -1.659  -1.252  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.260  -2.903  -1.473  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.413  -2.980   0.687  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.392  -5.049  -0.287  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.309  -4.163   1.254  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.292  -6.417   1.576  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.483  -5.143   1.935  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.249  -6.670  -0.698  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.489  -6.938   0.551  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.353  -5.487  -1.265  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.270  -4.600   0.276  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.370  -3.233  -1.587  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.179  -4.506  -1.946  1.00  0.00           H  
HETATM   55  H   UNL     1       0.654   0.137   1.655  1.00  0.00           H  
HETATM   56  H   UNL     1       0.951   1.806   1.114  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.663   4.653   0.411  1.00  0.00           H  
HETATM   58  H   UNL     1       2.086  -1.680   0.924  1.00  0.00           H  
HETATM   59  H   UNL     1       4.320  -2.341   0.131  1.00  0.00           H  
HETATM   60  H   UNL     1       5.037   1.674  -1.162  1.00  0.00           H  
HETATM   61  H   UNL     1       2.799   2.322  -0.370  1.00  0.00           H  
HETATM   62  H   UNL     1       6.927  -2.458   1.170  1.00  0.00           H  
HETATM   63  H   UNL     1       7.665  -1.319   2.322  1.00  0.00           H  
HETATM   64  H   UNL     1       5.985  -1.079   1.785  1.00  0.00           H  
HETATM   65  H   UNL     1       6.398   1.166   1.039  1.00  0.00           H  
HETATM   66  H   UNL     1       8.112   1.115   1.516  1.00  0.00           H  
HETATM   67  H   UNL     1       7.665   1.537  -0.154  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.343   3.949  -1.867  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.947   3.490  -1.247  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.733   6.289  -1.145  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.002   5.748  -2.270  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.982   6.947  -0.335  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.488   5.241  -0.352  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.808   5.945   1.927  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.204   6.404   1.306  1.00  0.00           H  
HETATM   76  H   UNL     1       0.209   1.196  -1.173  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.087  -0.473  -0.631  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.935   0.455   1.488  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.681  -0.788   1.267  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.634   1.933   0.843  1.00  0.00           H  
HETATM   81  H   UNL     1      10.752  -1.046   0.663  1.00  0.00           H  
CONECT    1   20   22   21   35                                       
CONECT    2   13   26   36   37                                       
CONECT    3   29    4   38   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    7    5   11   44                                       
CONECT    7    8    6   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11    6   10   53   54                                       
CONECT   12   28   14   55   56                                       
CONECT   13   31   23    2   57                                       
CONECT   14   15   15   19   12                                       
CONECT   15   16   14   14   58                                       
CONECT   16   17   17   15   59                                       
CONECT   17   35   16   16   18                                       
CONECT   18   17   19   19   60                                       
CONECT   19   18   18   14   61                                       
CONECT   20   34   34   32    1                                       
CONECT   21    1   62   63   64                                       
CONECT   22    1   65   66   67                                       
CONECT   23   13   24   68   69                                       
CONECT   24   23   25   70   71                                       
CONECT   25   24   26   72   73                                       
CONECT   26    2   25   74   75                                       
CONECT   27   31   33   33   30                                       
CONECT   28   30   12   76   77                                       
CONECT   29    3   30   78   79                                       
CONECT   30   29   27   28                                            
CONECT   31   13   27   80                                            
CONECT   32   20   81                                                 
CONECT   33   27   27                                                 
CONECT   34   20   20                                                 
CONECT   35    1   17                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
