COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.134  -0.688  -0.082  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.339  -1.381   0.895  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.132   0.048  -0.606  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.426  -0.037   0.046  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.560   1.059   1.124  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.018   1.547   1.081  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.035   2.913   0.614  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.320   3.094  -0.016  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.568   1.781  -0.791  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.720   0.734  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.562   0.279  -0.958  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.952   1.428  -0.748  1.00  0.00           O  
HETATM   13  N   UNL     1       3.925  -0.903   0.026  1.00  0.00           N  
HETATM   14  C   UNL     1       4.682  -1.185  -1.196  1.00  0.00           C  
HETATM   15  C   UNL     1       5.552  -2.425  -0.983  1.00  0.00           C  
HETATM   16  C   UNL     1       6.246  -2.793  -2.296  1.00  0.00           C  
HETATM   17  C   UNL     1       6.605  -2.132   0.087  1.00  0.00           C  
HETATM   18  C   UNL     1       2.650  -1.582   0.272  1.00  0.00           C  
HETATM   19  C   UNL     1       1.523  -0.819  -0.427  1.00  0.00           C  
HETATM   20  O   UNL     1       1.715  -0.875  -1.842  1.00  0.00           O  
HETATM   21  C   UNL     1       0.178  -1.456  -0.069  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.908  -0.655  -0.640  1.00  0.00           N  
HETATM   23  C   UNL     1       0.119  -2.875  -0.637  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.300  -3.440  -0.944  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.466  -4.054  -0.527  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.484  -4.773   0.654  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.335  -4.879   1.416  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.170  -4.264   0.998  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.152  -3.545  -0.182  1.00  0.00           C  
HETATM   30  S   UNL     1       4.511   0.183   1.131  1.00  0.00           S  
HETATM   31  O   UNL     1       5.916   0.240   0.931  1.00  0.00           O  
HETATM   32  O   UNL     1       3.915  -0.152   2.377  1.00  0.00           O  
HETATM   33  C   UNL     1       3.881   1.768   0.688  1.00  0.00           C  
HETATM   34  C   UNL     1       4.593   2.576  -0.177  1.00  0.00           C  
HETATM   35  C   UNL     1       2.675   2.201   1.208  1.00  0.00           C  
HETATM   36  C   UNL     1       4.101   3.819  -0.526  1.00  0.00           C  
HETATM   37  C   UNL     1       2.179   3.443   0.863  1.00  0.00           C  
HETATM   38  C   UNL     1       2.892   4.256  -0.006  1.00  0.00           C  
HETATM   39  O   UNL     1       2.403   5.476  -0.352  1.00  0.00           O  
HETATM   40  C   UNL     1       3.191   6.260  -1.251  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.567  -1.024   0.486  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.334   0.644   2.106  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.883   1.884   0.902  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.509   1.442   2.049  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.095   3.243   0.736  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.290   3.940  -0.703  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.230   1.878  -1.823  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.316  -0.094   0.345  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.267   1.081  -1.634  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.841  -0.614  -1.517  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.538   2.082  -1.154  1.00  0.00           H  
HETATM   52  H   UNL     1       3.990  -1.363  -2.019  1.00  0.00           H  
HETATM   53  H   UNL     1       5.317  -0.332  -1.434  1.00  0.00           H  
HETATM   54  H   UNL     1       4.926  -3.257  -0.658  1.00  0.00           H  
HETATM   55  H   UNL     1       6.872  -1.962  -2.621  1.00  0.00           H  
HETATM   56  H   UNL     1       6.866  -3.677  -2.144  1.00  0.00           H  
HETATM   57  H   UNL     1       5.496  -3.002  -3.058  1.00  0.00           H  
HETATM   58  H   UNL     1       6.110  -1.870   1.022  1.00  0.00           H  
HETATM   59  H   UNL     1       7.225  -3.016   0.238  1.00  0.00           H  
HETATM   60  H   UNL     1       7.231  -1.301  -0.238  1.00  0.00           H  
HETATM   61  H   UNL     1       2.699  -2.598  -0.120  1.00  0.00           H  
HETATM   62  H   UNL     1       2.457  -1.616   1.344  1.00  0.00           H  
HETATM   63  H   UNL     1       1.532   0.221  -0.100  1.00  0.00           H  
HETATM   64  H   UNL     1       1.719  -1.772  -2.203  1.00  0.00           H  
HETATM   65  H   UNL     1       0.071  -1.493   1.015  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.744  -0.101  -1.419  1.00  0.00           H  
HETATM   67  H   UNL     1       0.137  -2.832  -1.726  1.00  0.00           H  
HETATM   68  H   UNL     1       0.977  -3.445  -0.282  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.285  -2.882  -1.869  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.363  -3.972  -1.122  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.394  -5.253   0.980  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.349  -5.440   2.339  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.272  -4.346   1.594  1.00  0.00           H  
HETATM   74  H   UNL     1       5.535   2.236  -0.582  1.00  0.00           H  
HETATM   75  H   UNL     1       2.120   1.567   1.885  1.00  0.00           H  
HETATM   76  H   UNL     1       4.658   4.450  -1.203  1.00  0.00           H  
HETATM   77  H   UNL     1       1.237   3.781   1.269  1.00  0.00           H  
HETATM   78  H   UNL     1       4.168   6.450  -0.807  1.00  0.00           H  
HETATM   79  H   UNL     1       3.318   5.718  -2.189  1.00  0.00           H  
HETATM   80  H   UNL     1       2.688   7.207  -1.444  1.00  0.00           H  
CONECT    1   22    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   11   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5    7   10   44                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   45   46                                       
CONECT    9    8   10   12   47                                       
CONECT   10    6    9   11   48                                       
CONECT   11    4   10   49   50                                       
CONECT   12    9   51                                                 
CONECT   13   30   14   18                                            
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   17   54                                       
CONECT   16   15   55   56   57                                       
CONECT   17   15   58   59   60                                       
CONECT   18   13   19   61   62                                       
CONECT   19   18   20   21   63                                       
CONECT   20   19   64                                                 
CONECT   21   19   22   23   65                                       
CONECT   22   21    1   66                                            
CONECT   23   21   29   67   68                                       
CONECT   24   25   25   29   69                                       
CONECT   25   24   24   26   70                                       
CONECT   26   25   27   27   71                                       
CONECT   27   26   26   28   72                                       
CONECT   28   27   29   29   73                                       
CONECT   29   23   24   28   28                                       
CONECT   30   33   31   31   32                                       
CONECT   30   32   13                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   35   35   34   30                                       
CONECT   34   33   36   36   74                                       
CONECT   35   37   33   33   75                                       
CONECT   36   38   34   34   76                                       
CONECT   37   38   38   35   77                                       
CONECT   38   37   37   36   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   78   79   80                                       
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
