COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.249   3.010  -0.233  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.140   1.516  -0.154  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.102   1.155   0.946  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.353   1.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.863  -0.441   0.771  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.254   2.081   0.637  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.371  -0.063  -0.561  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.352  -1.223  -0.383  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.873  -0.518   1.956  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.361  -1.664   1.082  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.757  -0.769  -0.788  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.759  -1.888  -0.493  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.950  -2.319  -1.208  1.00  0.00           O  
HETATM   14  S   UNL     1      -4.740  -0.550   0.067  1.00  0.00           S  
HETATM   15  C   UNL     1      -3.732   0.930  -0.226  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.298   0.641   0.137  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.534   1.036  -1.474  1.00  0.00           C  
HETATM   18  C   UNL     1       0.087   3.542  -0.782  1.00  0.00           C  
HETATM   19  C   UNL     1       1.273   3.110   0.077  1.00  0.00           C  
HETATM   20  C   UNL     1       1.208   1.636   0.393  1.00  0.00           C  
HETATM   21  C   UNL     1       2.239   0.827   0.175  1.00  0.00           C  
HETATM   22  C   UNL     1       3.536   1.384  -0.240  1.00  0.00           C  
HETATM   23  C   UNL     1       4.537   0.571  -0.560  1.00  0.00           C  
HETATM   24  C   UNL     1       5.913   1.122  -0.853  1.00  0.00           C  
HETATM   25  C   UNL     1       6.925   0.431   0.071  1.00  0.00           C  
HETATM   26  O   UNL     1       6.731   0.878   1.414  1.00  0.00           O  
HETATM   27  C   UNL     1       4.320  -0.924  -0.632  1.00  0.00           C  
HETATM   28  C   UNL     1       5.335  -1.610   0.292  1.00  0.00           C  
HETATM   29  O   UNL     1       5.322  -3.020   0.055  1.00  0.00           O  
HETATM   30  C   UNL     1       6.706  -1.063  -0.007  1.00  0.00           C  
HETATM   31  C   UNL     1       7.693  -1.865  -0.323  1.00  0.00           C  
HETATM   32  C   UNL     1       9.093  -1.323  -0.452  1.00  0.00           C  
HETATM   33  O   UNL     1      10.002  -2.181   0.241  1.00  0.00           O  
HETATM   34  H   UNL     1      -2.062   3.287  -0.904  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.432   3.421   0.760  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.333   1.634   1.898  1.00  0.00           H  
HETATM   37  H   UNL     1       0.186  -0.866   0.206  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.089  -0.757   1.976  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.487  -1.267   1.080  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.194   1.803   1.689  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.648   2.970   0.461  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.291   2.290   0.374  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.293   0.188  -1.619  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.729   0.804  -0.007  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.948  -0.856   2.990  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.181   0.321   1.897  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.856  -0.204   1.605  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.014  -2.529   1.197  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.349  -1.930   1.387  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.028   0.121  -0.220  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.772  -0.539  -1.853  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.487  -2.778  -1.060  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.744  -2.117   0.572  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.759  -1.564  -0.781  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.922  -2.110  -2.152  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.792   1.208  -1.278  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.214   1.269  -2.293  1.00  0.00           H  
HETATM   58  H   UNL     1       0.420   1.538  -1.639  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.374  -0.042  -1.430  1.00  0.00           H  
HETATM   60  H   UNL     1       0.229   3.167  -1.796  1.00  0.00           H  
HETATM   61  H   UNL     1       0.050   4.631  -0.810  1.00  0.00           H  
HETATM   62  H   UNL     1       2.199   3.328  -0.455  1.00  0.00           H  
HETATM   63  H   UNL     1       1.259   3.667   1.014  1.00  0.00           H  
HETATM   64  H   UNL     1       2.126  -0.239   0.303  1.00  0.00           H  
HETATM   65  H   UNL     1       3.675   2.454  -0.284  1.00  0.00           H  
HETATM   66  H   UNL     1       6.173   0.924  -1.893  1.00  0.00           H  
HETATM   67  H   UNL     1       5.923   2.197  -0.671  1.00  0.00           H  
HETATM   68  H   UNL     1       7.938   0.670  -0.252  1.00  0.00           H  
HETATM   69  H   UNL     1       6.844   1.832   1.532  1.00  0.00           H  
HETATM   70  H   UNL     1       3.308  -1.163  -0.305  1.00  0.00           H  
HETATM   71  H   UNL     1       4.464  -1.266  -1.656  1.00  0.00           H  
HETATM   72  H   UNL     1       5.076  -1.412   1.332  1.00  0.00           H  
HETATM   73  H   UNL     1       4.465  -3.438   0.214  1.00  0.00           H  
HETATM   74  H   UNL     1       7.503  -2.914  -0.491  1.00  0.00           H  
HETATM   75  H   UNL     1       9.369  -1.276  -1.505  1.00  0.00           H  
HETATM   76  H   UNL     1       9.137  -0.323  -0.020  1.00  0.00           H  
HETATM   77  H   UNL     1      10.924  -1.892   0.200  1.00  0.00           H  
CONECT    1    2   18   34   35                                       
CONECT    2    3   17   16    1                                       
CONECT    3   20    4    2   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4   16   16   39                                       
CONECT    6   15   40   41   42                                       
CONECT    7    8   14   43   44                                       
CONECT    8   11    7   13   10                                       
CONECT    9   10   45   46   47                                       
CONECT   10    8    9   48   49                                       
CONECT   11   12    8   50   51                                       
CONECT   12   11   52   53   54                                       
CONECT   13    8   55                                                 
CONECT   14    7   15                                                 
CONECT   15   16   14    6   56                                       
CONECT   16    5    5    2   15                                       
CONECT   17    2   57   58   59                                       
CONECT   18   19    1   60   61                                       
CONECT   19   20   18   62   63                                       
CONECT   20   21   21    3   19                                       
CONECT   21   22   20   20   64                                       
CONECT   22   23   23   21   65                                       
CONECT   23   24   27   22   22                                       
CONECT   24   25   23   66   67                                       
CONECT   25   26   30   24   68                                       
CONECT   26   25   69                                                 
CONECT   27   28   23   70   71                                       
CONECT   28   30   29   27   72                                       
CONECT   29   28   73                                                 
CONECT   30   31   31   25   28                                       
CONECT   31   32   30   30   74                                       
CONECT   32   33   31   75   76                                       
CONECT   33   32   77                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
