COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.909  -3.197  -0.330  1.00  0.00           O  
HETATM    2  C   UNL     1      10.633  -2.128   0.161  1.00  0.00           C  
HETATM    3  O   UNL     1      11.464  -1.564   1.051  1.00  0.00           O  
HETATM    4  C   UNL     1       9.359  -1.424  -0.232  1.00  0.00           C  
HETATM    5  C   UNL     1       8.460  -2.114  -1.261  1.00  0.00           C  
HETATM    6  C   UNL     1       8.039  -2.055   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1       6.804  -1.193   0.287  1.00  0.00           C  
HETATM    8  C   UNL     1       6.033  -0.815   1.373  1.00  0.00           C  
HETATM    9  N   UNL     1       4.975  -0.044   1.218  1.00  0.00           N  
HETATM   10  C   UNL     1       4.607   0.399   0.027  1.00  0.00           C  
HETATM   11  C   UNL     1       5.334   0.060  -1.106  1.00  0.00           C  
HETATM   12  C   UNL     1       6.452  -0.749  -0.975  1.00  0.00           C  
HETATM   13  C   UNL     1       7.438  -1.264  -2.029  1.00  0.00           C  
HETATM   14  O   UNL     1       3.511   1.191  -0.087  1.00  0.00           O  
HETATM   15  C   UNL     1       2.807   1.502   1.117  1.00  0.00           C  
HETATM   16  C   UNL     1       1.628   2.384   0.795  1.00  0.00           C  
HETATM   17  C   UNL     1       1.775   3.760   0.792  1.00  0.00           C  
HETATM   18  C   UNL     1       0.697   4.575   0.498  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.532   4.019   0.205  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.686   2.635   0.206  1.00  0.00           C  
HETATM   21  C   UNL     1       0.405   1.818   0.498  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.005   2.032  -0.108  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.557   2.183  -1.378  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.815   2.960  -2.436  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.783   1.622  -1.667  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.467   0.907  -0.693  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.920   0.755   0.573  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.691   1.308   0.866  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.094   1.136   2.239  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.675   0.355  -0.980  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.324  -0.367   0.068  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.662  -0.911  -0.439  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.356  -1.684   0.683  1.00  0.00           C  
HETATM   34  S   UNL     1      -9.942  -2.329   0.082  1.00  0.00           S  
HETATM   35  O   UNL     1     -10.798  -1.231  -0.203  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.684  -3.290  -0.933  1.00  0.00           O  
HETATM   37  C   UNL     1     -10.576  -3.191   1.547  1.00  0.00           C  
HETATM   38  H   UNL     1      12.271  -2.051   1.269  1.00  0.00           H  
HETATM   39  H   UNL     1       9.413  -0.336  -0.260  1.00  0.00           H  
HETATM   40  H   UNL     1       8.792  -3.043  -1.724  1.00  0.00           H  
HETATM   41  H   UNL     1       8.064  -2.949   0.837  1.00  0.00           H  
HETATM   42  H   UNL     1       6.301  -1.158   2.362  1.00  0.00           H  
HETATM   43  H   UNL     1       5.033   0.423  -2.078  1.00  0.00           H  
HETATM   44  H   UNL     1       7.926  -0.424  -2.523  1.00  0.00           H  
HETATM   45  H   UNL     1       6.912  -1.875  -2.762  1.00  0.00           H  
HETATM   46  H   UNL     1       2.455   0.581   1.581  1.00  0.00           H  
HETATM   47  H   UNL     1       3.474   2.023   1.803  1.00  0.00           H  
HETATM   48  H   UNL     1       2.735   4.198   1.021  1.00  0.00           H  
HETATM   49  H   UNL     1       0.818   5.648   0.498  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.373   4.657  -0.025  1.00  0.00           H  
HETATM   51  H   UNL     1       0.292   0.744   0.497  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.170   2.284  -2.997  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.531   3.425  -3.114  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.209   3.731  -1.962  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.212   1.739  -2.651  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.455   0.198   1.329  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.417   1.956   2.881  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.426   0.189   2.664  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.006   1.140   2.165  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.691  -1.196   0.383  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.500   0.298   0.913  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.295  -0.081  -0.755  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.486  -1.576  -1.285  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.723  -2.514   0.999  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.532  -1.019   1.528  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.686  -2.481   2.367  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.545  -3.634   1.317  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.877  -3.976   1.837  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   38                                                 
CONECT    4    2    6    5   39                                       
CONECT    5    4   13    6   40                                       
CONECT    6    4    7    5   41                                       
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7   42                                       
CONECT    9   10   10    8                                            
CONECT   10   14    9    9   11                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12    5   44   45                                       
CONECT   14   15   10                                                 
CONECT   15   16   14   46   47                                       
CONECT   16   17   15   21   21                                       
CONECT   17   18   18   16   48                                       
CONECT   18   17   17   19   49                                       
CONECT   19   18   20   20   50                                       
CONECT   20   19   19   21   22                                       
CONECT   21   16   16   20   51                                       
CONECT   22   20   23   23   28                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23   52   53   54                                       
CONECT   25   23   26   26   55                                       
CONECT   26   25   25   27   30                                       
CONECT   27   28   28   26   56                                       
CONECT   28   22   29   27   27                                       
CONECT   29   28   57   58   59                                       
CONECT   30   26   31                                                 
CONECT   31   30   32   60   61                                       
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   64   65                                       
CONECT   34   33   36   36   35                                       
CONECT   34   35   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   66   67   68                                       
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
