COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.798   0.860   0.790  1.00  0.00           C  
HETATM    2  C   UNL     1       3.722   1.704  -0.454  1.00  0.00           C  
HETATM    3  C   UNL     1       2.373   2.102  -0.895  1.00  0.00           C  
HETATM    4  C   UNL     1       1.557   0.860  -1.318  1.00  0.00           C  
HETATM    5  C   UNL     1       1.272  -0.123  -0.169  1.00  0.00           C  
HETATM    6  C   UNL     1       1.645  -2.267  -1.094  1.00  0.00           C  
HETATM    7  C   UNL     1       0.826  -2.174   1.765  1.00  0.00           C  
HETATM    8  C   UNL     1       4.572   1.651   1.865  1.00  0.00           C  
HETATM    9  C   UNL     1       2.524   3.024  -2.121  1.00  0.00           C  
HETATM   10  C   UNL     1       1.661   2.876   0.183  1.00  0.00           C  
HETATM   11  C   UNL     1       1.263   4.102  -0.047  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.110  -0.042   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.502  -0.565  -0.185  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.295  -0.261   0.226  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.529  -0.189  -1.284  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.868  -0.846  -1.625  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.996  -0.112  -0.898  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.762  -0.184   0.612  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.423   0.473   0.953  1.00  0.00           C  
HETATM   20  C   UNL     1       5.880  -0.341  -0.249  1.00  0.00           C  
HETATM   21  C   UNL     1       5.942  -1.719  -0.964  1.00  0.00           C  
HETATM   22  C   UNL     1       4.493  -2.184  -1.132  1.00  0.00           C  
HETATM   23  C   UNL     1       3.632  -1.080  -0.621  1.00  0.00           C  
HETATM   24  C   UNL     1       2.273  -1.276  -0.099  1.00  0.00           C  
HETATM   25  C   UNL     1       2.236  -2.071   1.193  1.00  0.00           C  
HETATM   26  C   UNL     1       3.172  -1.483   2.249  1.00  0.00           C  
HETATM   27  C   UNL     1       4.584  -1.350   1.674  1.00  0.00           C  
HETATM   28  C   UNL     1       4.556  -0.406   0.481  1.00  0.00           C  
HETATM   29  N   UNL     1      -9.282  -0.743  -1.225  1.00  0.00           N  
HETATM   30  O   UNL     1       4.166  -3.251  -1.594  1.00  0.00           O  
HETATM   31  O   UNL     1       4.474   2.907  -0.218  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.050  -0.688  -0.449  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.948   0.958   0.720  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.205   0.405   2.363  1.00  0.00           O  
HETATM   35  S   UNL     1      -3.707   0.518   0.630  1.00  0.00           S  
HETATM   36  H   UNL     1       2.814   0.632   1.181  1.00  0.00           H  
HETATM   37  H   UNL     1       4.214   1.185  -1.279  1.00  0.00           H  
HETATM   38  H   UNL     1       0.590   1.199  -1.719  1.00  0.00           H  
HETATM   39  H   UNL     1       2.073   0.340  -2.126  1.00  0.00           H  
HETATM   40  H   UNL     1       1.215   0.390   0.778  1.00  0.00           H  
HETATM   41  H   UNL     1       1.583  -1.803  -2.078  1.00  0.00           H  
HETATM   42  H   UNL     1       2.263  -3.163  -1.153  1.00  0.00           H  
HETATM   43  H   UNL     1       0.645  -2.537  -0.756  1.00  0.00           H  
HETATM   44  H   UNL     1       0.176  -2.670   1.044  1.00  0.00           H  
HETATM   45  H   UNL     1       0.850  -2.751   2.690  1.00  0.00           H  
HETATM   46  H   UNL     1       0.443  -1.174   1.972  1.00  0.00           H  
HETATM   47  H   UNL     1       4.049   2.583   2.078  1.00  0.00           H  
HETATM   48  H   UNL     1       4.638   1.056   2.776  1.00  0.00           H  
HETATM   49  H   UNL     1       5.575   1.872   1.502  1.00  0.00           H  
HETATM   50  H   UNL     1       3.127   2.524  -2.880  1.00  0.00           H  
HETATM   51  H   UNL     1       1.539   3.249  -2.530  1.00  0.00           H  
HETATM   52  H   UNL     1       3.013   3.951  -1.821  1.00  0.00           H  
HETATM   53  H   UNL     1       1.479   2.420   1.145  1.00  0.00           H  
HETATM   54  H   UNL     1       0.752   4.658   0.726  1.00  0.00           H  
HETATM   55  H   UNL     1       1.445   4.558  -1.009  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.698  -0.585  -1.257  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.588  -1.573   0.220  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.278  -1.304   0.541  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.546   0.855  -1.600  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.725  -0.712  -1.802  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.035  -0.794  -2.701  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.851  -1.889  -1.310  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.013   0.931  -1.214  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.566   0.339   1.130  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.745  -1.228   0.928  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.440   1.516   0.637  1.00  0.00           H  
HETATM   67  H   UNL     1       6.701  -0.239   0.463  1.00  0.00           H  
HETATM   68  H   UNL     1       5.893   0.474  -0.968  1.00  0.00           H  
HETATM   69  H   UNL     1       6.412  -1.615  -1.942  1.00  0.00           H  
HETATM   70  H   UNL     1       6.495  -2.436  -0.358  1.00  0.00           H  
HETATM   71  H   UNL     1       3.551  -0.374  -1.444  1.00  0.00           H  
HETATM   72  H   UNL     1       2.585  -3.092   0.970  1.00  0.00           H  
HETATM   73  H   UNL     1       2.800  -0.517   2.580  1.00  0.00           H  
HETATM   74  H   UNL     1       3.201  -2.159   3.111  1.00  0.00           H  
HETATM   75  H   UNL     1       5.261  -0.967   2.435  1.00  0.00           H  
HETATM   76  H   UNL     1       4.935  -2.331   1.346  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.460  -0.708  -2.218  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.315  -1.693  -0.885  1.00  0.00           H  
HETATM   79  H   UNL     1       4.570   3.470  -0.998  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.883   0.851   2.888  1.00  0.00           H  
CONECT    1    2    8   28   36                                       
CONECT    2    1    3   31   37                                       
CONECT    3    2    4    9   10                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4   24   32   40                                       
CONECT    6   24   41   42   43                                       
CONECT    7   25   44   45   46                                       
CONECT    8    1   47   48   49                                       
CONECT    9    3   50   51   52                                       
CONECT   10    3   11   11   53                                       
CONECT   11   10   10   54   55                                       
CONECT   12   13   32   33   33                                       
CONECT   13   12   35   56   57                                       
CONECT   14   15   19   35   58                                       
CONECT   15   14   16   59   60                                       
CONECT   16   15   17   61   62                                       
CONECT   17   16   18   29   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   14   18   34   66                                       
CONECT   20   21   28   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   23   30   30                                       
CONECT   23   22   24   28   71                                       
CONECT   24    5    6   23   25                                       
CONECT   25    7   24   26   72                                       
CONECT   26   25   27   73   74                                       
CONECT   27   26   28   75   76                                       
CONECT   28    1   20   23   27                                       
CONECT   29   17   77   78                                            
CONECT   30   22   22                                                 
CONECT   31    2   79                                                 
CONECT   32    5   12                                                 
CONECT   33   12   12                                                 
CONECT   34   19   80                                                 
CONECT   35   13   14                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   34                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
