COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.949  -0.019   4.219  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.273  -1.105   5.250  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.954  -2.247   4.629  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.284  -3.257   5.635  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.110  -2.826   3.576  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.816  -1.786   2.498  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.235  -0.564   3.057  1.00  0.00           N  
HETATM    8  C   UNL     1       0.820   0.064   2.371  1.00  0.00           C  
HETATM    9  O   UNL     1       1.382  -0.446   1.396  1.00  0.00           O  
HETATM   10  N   UNL     1       1.190   1.313   2.857  1.00  0.00           N  
HETATM   11  C   UNL     1       2.251   2.089   2.255  1.00  0.00           C  
HETATM   12  C   UNL     1       2.050   3.596   2.453  1.00  0.00           C  
HETATM   13  C   UNL     1       1.048   4.183   1.489  1.00  0.00           C  
HETATM   14  C   UNL     1       1.485   4.669   0.267  1.00  0.00           C  
HETATM   15  C   UNL     1       0.559   5.211  -0.624  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.792   5.261  -0.281  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.217   4.767   0.952  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.291   4.225   1.843  1.00  0.00           C  
HETATM   19  C   UNL     1       3.558   1.640   2.898  1.00  0.00           C  
HETATM   20  O   UNL     1       3.643   1.303   4.077  1.00  0.00           O  
HETATM   21  N   UNL     1       4.604   1.613   1.985  1.00  0.00           N  
HETATM   22  C   UNL     1       5.940   1.178   2.322  1.00  0.00           C  
HETATM   23  C   UNL     1       6.552   2.085   3.404  1.00  0.00           C  
HETATM   24  C   UNL     1       6.581   3.561   2.986  1.00  0.00           C  
HETATM   25  C   UNL     1       7.128   4.438   4.084  1.00  0.00           C  
HETATM   26  C   UNL     1       6.259   4.979   5.020  1.00  0.00           C  
HETATM   27  C   UNL     1       6.765   5.790   6.036  1.00  0.00           C  
HETATM   28  C   UNL     1       8.133   6.050   6.104  1.00  0.00           C  
HETATM   29  C   UNL     1       8.996   5.498   5.157  1.00  0.00           C  
HETATM   30  C   UNL     1       8.490   4.687   4.141  1.00  0.00           C  
HETATM   31  C   UNL     1       5.926  -0.285   2.800  1.00  0.00           C  
HETATM   32  C   UNL     1       5.313  -1.271   1.812  1.00  0.00           C  
HETATM   33  S   UNL     1       5.366  -2.940   2.382  1.00  0.00           S  
HETATM   34  O   UNL     1       4.505  -3.065   3.545  1.00  0.00           O  
HETATM   35  O   UNL     1       6.761  -3.340   2.459  1.00  0.00           O  
HETATM   36  C   UNL     1       4.608  -3.864   1.078  1.00  0.00           C  
HETATM   37  C   UNL     1       5.397  -4.361   0.056  1.00  0.00           C  
HETATM   38  C   UNL     1       4.799  -5.089  -0.972  1.00  0.00           C  
HETATM   39  C   UNL     1       3.421  -5.308  -0.962  1.00  0.00           C  
HETATM   40  C   UNL     1       2.642  -4.799   0.077  1.00  0.00           C  
HETATM   41  C   UNL     1       3.240  -4.071   1.106  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.870   0.443   3.842  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.367   0.755   4.723  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.345  -1.433   5.737  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.912  -0.667   6.026  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.217  -2.993   6.140  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.486  -3.323   6.380  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.404  -4.236   5.163  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.624  -3.676   3.111  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.168  -3.201   3.997  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.155  -2.219   1.740  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.741  -1.493   1.987  1.00  0.00           H  
HETATM   53  H   UNL     1       0.666   1.765   3.594  1.00  0.00           H  
HETATM   54  H   UNL     1       2.266   1.827   1.191  1.00  0.00           H  
HETATM   55  H   UNL     1       3.009   4.124   2.356  1.00  0.00           H  
HETATM   56  H   UNL     1       1.708   3.806   3.475  1.00  0.00           H  
HETATM   57  H   UNL     1       2.536   4.635  -0.009  1.00  0.00           H  
HETATM   58  H   UNL     1       0.890   5.595  -1.585  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.514   5.683  -0.975  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.270   4.805   1.219  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.632   3.843   2.802  1.00  0.00           H  
HETATM   62  H   UNL     1       4.420   1.915   1.033  1.00  0.00           H  
HETATM   63  H   UNL     1       6.540   1.267   1.410  1.00  0.00           H  
HETATM   64  H   UNL     1       7.571   1.750   3.639  1.00  0.00           H  
HETATM   65  H   UNL     1       5.968   1.987   4.329  1.00  0.00           H  
HETATM   66  H   UNL     1       7.190   3.696   2.084  1.00  0.00           H  
HETATM   67  H   UNL     1       5.570   3.897   2.721  1.00  0.00           H  
HETATM   68  H   UNL     1       5.191   4.783   4.974  1.00  0.00           H  
HETATM   69  H   UNL     1       6.093   6.219   6.773  1.00  0.00           H  
HETATM   70  H   UNL     1       8.527   6.681   6.895  1.00  0.00           H  
HETATM   71  H   UNL     1      10.062   5.700   5.211  1.00  0.00           H  
HETATM   72  H   UNL     1       9.170   4.262   3.408  1.00  0.00           H  
HETATM   73  H   UNL     1       6.957  -0.605   3.003  1.00  0.00           H  
HETATM   74  H   UNL     1       5.382  -0.349   3.751  1.00  0.00           H  
HETATM   75  H   UNL     1       4.270  -1.036   1.581  1.00  0.00           H  
HETATM   76  H   UNL     1       5.879  -1.255   0.875  1.00  0.00           H  
HETATM   77  H   UNL     1       6.471  -4.197   0.038  1.00  0.00           H  
HETATM   78  H   UNL     1       5.405  -5.485  -1.782  1.00  0.00           H  
HETATM   79  H   UNL     1       2.956  -5.876  -1.762  1.00  0.00           H  
HETATM   80  H   UNL     1       1.570  -4.971   0.086  1.00  0.00           H  
HETATM   81  H   UNL     1       2.623  -3.678   1.909  1.00  0.00           H  
CONECT    1    2    7   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    2    4    5                                            
CONECT    4    3   46   47   48                                       
CONECT    5    3    6   49   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7    1    6    8                                            
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   53                                            
CONECT   11   10   19   12   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   57                                       
CONECT   15   14   14   16   58                                       
CONECT   16   15   17   17   59                                       
CONECT   17   16   16   18   60                                       
CONECT   18   13   13   17   61                                       
CONECT   19   11   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   62                                            
CONECT   22   21   23   31   63                                       
CONECT   23   22   24   64   65                                       
CONECT   24   23   25   66   67                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   68                                       
CONECT   27   26   26   28   69                                       
CONECT   28   27   29   29   70                                       
CONECT   29   28   28   30   71                                       
CONECT   30   25   25   29   72                                       
CONECT   31   22   32   73   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32   34   34   35                                       
CONECT   33   35   36                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   33   37   37   41                                       
CONECT   37   36   36   38   77                                       
CONECT   38   37   39   39   78                                       
CONECT   39   38   38   40   79                                       
CONECT   40   39   41   41   80                                       
CONECT   41   36   40   40   81                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
