COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.012  -4.211   0.024  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.367  -3.408   0.953  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.849  -2.142   1.222  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.973  -1.675   0.567  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.618  -2.474  -0.359  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.140  -3.740  -0.632  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.585  -0.059   0.912  1.00  0.00           S  
HETATM    8  O   UNL     1      -5.962  -0.068   0.561  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.116   0.278   2.211  1.00  0.00           O  
HETATM   10  N   UNL     1      -3.841   0.983  -0.138  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.448   1.268  -1.441  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.287   2.543  -1.344  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.820   2.910  -2.730  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.462   2.310  -0.391  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.575   1.619   0.234  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.409   0.800  -0.324  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.444   0.835  -1.753  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.087   1.393   0.169  1.00  0.00           C  
HETATM   19  N   UNL     1       1.023   0.542  -0.267  1.00  0.00           N  
HETATM   20  C   UNL     1       2.181   0.540   0.421  1.00  0.00           C  
HETATM   21  O   UNL     1       2.305   1.245   1.403  1.00  0.00           O  
HETATM   22  O   UNL     1       3.201  -0.242   0.021  1.00  0.00           O  
HETATM   23  C   UNL     1       4.419  -0.193   0.810  1.00  0.00           C  
HETATM   24  C   UNL     1       4.391  -1.272   1.914  1.00  0.00           C  
HETATM   25  O   UNL     1       5.753  -1.742   2.004  1.00  0.00           O  
HETATM   26  C   UNL     1       6.223  -1.829   0.643  1.00  0.00           C  
HETATM   27  O   UNL     1       5.579  -2.951   0.005  1.00  0.00           O  
HETATM   28  C   UNL     1       5.506  -2.611  -1.396  1.00  0.00           C  
HETATM   29  C   UNL     1       5.131  -1.113  -1.420  1.00  0.00           C  
HETATM   30  C   UNL     1       5.640  -0.568  -0.056  1.00  0.00           C  
HETATM   31  N   UNL     1       5.817  -0.429  -2.524  1.00  0.00           N  
HETATM   32  C   UNL     1       5.046  -0.535  -3.770  1.00  0.00           C  
HETATM   33  C   UNL     1       0.089   2.798  -0.412  1.00  0.00           C  
HETATM   34  C   UNL     1       2.548   3.267  -0.461  1.00  0.00           C  
HETATM   35  C   UNL     1       3.683   3.851   0.069  1.00  0.00           C  
HETATM   36  C   UNL     1       3.599   4.597   1.229  1.00  0.00           C  
HETATM   37  C   UNL     1       2.379   4.760   1.860  1.00  0.00           C  
HETATM   38  C   UNL     1       1.244   4.176   1.329  1.00  0.00           C  
HETATM   39  C   UNL     1       1.328   3.429   0.169  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.537  -5.455  -0.247  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.372  -5.874   0.466  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.489  -3.773   1.465  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.347  -1.516   1.945  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.496  -2.106  -0.870  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.644  -4.364  -1.356  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.664   1.404  -2.185  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.087   0.434  -1.734  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.668   3.357  -0.965  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.438   2.096  -3.109  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.417   3.819  -2.661  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.983   3.076  -3.409  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.080   1.497  -0.770  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.082   2.049   0.596  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.059   3.219  -0.322  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.540   2.628  -0.177  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.498   1.666   1.321  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.493  -0.232   0.016  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.373   1.725  -2.126  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.097   1.449   1.257  1.00  0.00           H  
HETATM   60  H   UNL     1       0.923  -0.021  -1.051  1.00  0.00           H  
HETATM   61  H   UNL     1       4.549   0.797   1.248  1.00  0.00           H  
HETATM   62  H   UNL     1       4.077  -0.836   2.863  1.00  0.00           H  
HETATM   63  H   UNL     1       3.725  -2.087   1.632  1.00  0.00           H  
HETATM   64  H   UNL     1       7.310  -1.880   0.579  1.00  0.00           H  
HETATM   65  H   UNL     1       6.473  -2.768  -1.875  1.00  0.00           H  
HETATM   66  H   UNL     1       4.738  -3.205  -1.891  1.00  0.00           H  
HETATM   67  H   UNL     1       4.051  -0.992  -1.508  1.00  0.00           H  
HETATM   68  H   UNL     1       6.346   0.255  -0.167  1.00  0.00           H  
HETATM   69  H   UNL     1       6.752  -0.788  -2.646  1.00  0.00           H  
HETATM   70  H   UNL     1       4.066  -0.077  -3.630  1.00  0.00           H  
HETATM   71  H   UNL     1       5.576  -0.020  -4.570  1.00  0.00           H  
HETATM   72  H   UNL     1       4.922  -1.585  -4.033  1.00  0.00           H  
HETATM   73  H   UNL     1       0.188   2.734  -1.495  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.780   3.406  -0.162  1.00  0.00           H  
HETATM   75  H   UNL     1       2.612   2.687  -1.370  1.00  0.00           H  
HETATM   76  H   UNL     1       4.636   3.724  -0.424  1.00  0.00           H  
HETATM   77  H   UNL     1       4.486   5.053   1.644  1.00  0.00           H  
HETATM   78  H   UNL     1       2.314   5.342   2.767  1.00  0.00           H  
HETATM   79  H   UNL     1       0.291   4.303   1.822  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.549  -5.193   0.250  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.578  -5.866   1.536  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.099  -6.883   0.156  1.00  0.00           H  
CONECT    1    2   40    6    6                                       
CONECT    2    3    3    1   42                                       
CONECT    3    2    2    4   43                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   44                                       
CONECT    6    1    1    5   45                                       
CONECT    7    8    8    4    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   15   11                                            
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   14   48                                       
CONECT   13   12   49   50   51                                       
CONECT   14   12   52   53   54                                       
CONECT   15   10   16   55   56                                       
CONECT   16   18   15   17   57                                       
CONECT   17   16   58                                                 
CONECT   18   33   19   16   59                                       
CONECT   19   18   20   60                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   30   22   24   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   26   24                                                 
CONECT   26   30   27   25   64                                       
CONECT   27   28   26                                                 
CONECT   28   29   27   65   66                                       
CONECT   29   31   28   30   67                                       
CONECT   30   29   23   26   68                                       
CONECT   31   32   29   69                                            
CONECT   32   31   70   71   72                                       
CONECT   33   39   18   73   74                                       
CONECT   34   35   35   39   75                                       
CONECT   35   36   34   34   76                                       
CONECT   36   37   37   35   77                                       
CONECT   37   36   36   38   78                                       
CONECT   38   37   39   39   79                                       
CONECT   39   38   38   34   33                                       
CONECT   40   41    1                                                 
CONECT   41   40   80   81   82                                       
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
