COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.094  -2.962  -0.980  1.00  0.00           C  
HETATM    2  C   UNL     1       5.099  -4.695   0.204  1.00  0.00           C  
HETATM    3  C   UNL     1       4.561  -3.391   0.835  1.00  0.00           C  
HETATM    4  C   UNL     1       2.552   3.339  -2.399  1.00  0.00           C  
HETATM    5  C   UNL     1       4.923  -2.346  -0.246  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.615   0.089  -0.549  1.00  0.00           C  
HETATM    7  C   UNL     1       0.783   0.513  -0.480  1.00  0.00           C  
HETATM    8  C   UNL     1       0.985   1.904  -1.085  1.00  0.00           C  
HETATM    9  C   UNL     1       2.264   1.913  -1.926  1.00  0.00           C  
HETATM   10  C   UNL     1       2.082   1.000  -3.140  1.00  0.00           C  
HETATM   11  C   UNL     1       1.859   0.248   0.541  1.00  0.00           C  
HETATM   12  C   UNL     1       4.131  -0.413   1.124  1.00  0.00           C  
HETATM   13  C   UNL     1       4.577   0.827   1.902  1.00  0.00           C  
HETATM   14  C   UNL     1       5.335  -1.024   0.404  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.960  -0.274  -0.811  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.254  -0.167  -0.002  1.00  0.00           C  
HETATM   17  O   UNL     1       5.649   0.478   2.780  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.492  -0.268  -1.703  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.530   0.447   0.166  1.00  0.00           N  
HETATM   20  N   UNL     1       3.115  -0.032   0.140  1.00  0.00           N  
HETATM   21  N   UNL     1       6.170  -4.277  -0.709  1.00  0.00           N  
HETATM   22  O   UNL     1       6.850  -2.359  -1.712  1.00  0.00           O  
HETATM   23  O   UNL     1       1.595   0.286   1.724  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.836   0.126   0.018  1.00  0.00           O  
HETATM   25  S   UNL     1       5.138   2.101   0.739  1.00  0.00           S  
HETATM   26  H   UNL     1       5.498  -5.352   0.976  1.00  0.00           H  
HETATM   27  H   UNL     1       3.483  -3.445   0.981  1.00  0.00           H  
HETATM   28  H   UNL     1       2.682   3.990  -1.534  1.00  0.00           H  
HETATM   29  H   UNL     1       4.084  -2.194  -0.925  1.00  0.00           H  
HETATM   30  H   UNL     1       3.740   1.211   2.485  1.00  0.00           H  
HETATM   31  H   UNL     1       6.134  -1.206   1.123  1.00  0.00           H  
HETATM   32  H   UNL     1       5.687  -0.335  -0.364  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.820  -1.304  -1.139  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.020   0.380  -1.681  1.00  0.00           H  
HETATM   35  H   UNL     1       6.429   0.128   2.329  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.619   0.663   1.107  1.00  0.00           H  
HETATM   37  H   UNL     1       3.346   0.018  -0.801  1.00  0.00           H  
HETATM   38  H   UNL     1       6.847  -4.871  -1.068  1.00  0.00           H  
HETATM   39  O   UNL     1       5.668   3.218   1.626  1.00  0.00           O  
HETATM   40  O   UNL     1       6.279   1.652   0.021  1.00  0.00           O  
HETATM   41  O   UNL     1       4.031   2.684   0.066  1.00  0.00           O  
HETATM   42  H   UNL     1       6.008   3.980   1.138  1.00  0.00           H  
HETATM   43  C   UNL     1      -5.169  -1.084   1.220  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.449   1.279   0.459  1.00  0.00           C  
HETATM   45  S   UNL     1      -6.657  -0.667  -1.037  1.00  0.00           S  
HETATM   46  C   UNL     1      -8.035  -0.482   0.047  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.709   0.723   0.107  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.790   0.869   0.957  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.196  -0.191   1.746  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.522  -1.396   1.685  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.444  -1.543   0.832  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.893   0.325  -2.026  1.00  0.00           O  
HETATM   53  H   UNL     1       4.308  -5.201  -0.350  1.00  0.00           H  
HETATM   54  H   UNL     1       5.070  -3.174   1.774  1.00  0.00           H  
HETATM   55  H   UNL     1       3.463   3.346  -2.998  1.00  0.00           H  
HETATM   56  H   UNL     1       1.718   3.698  -3.002  1.00  0.00           H  
HETATM   57  H   UNL     1       0.838  -0.238  -1.269  1.00  0.00           H  
HETATM   58  H   UNL     1       0.133   2.153  -1.717  1.00  0.00           H  
HETATM   59  H   UNL     1       1.072   2.639  -0.285  1.00  0.00           H  
HETATM   60  H   UNL     1       3.098   1.554  -1.323  1.00  0.00           H  
HETATM   61  H   UNL     1       1.292   1.396  -3.778  1.00  0.00           H  
HETATM   62  H   UNL     1       3.014   0.953  -3.703  1.00  0.00           H  
HETATM   63  H   UNL     1       1.809  -0.001  -2.805  1.00  0.00           H  
HETATM   64  H   UNL     1       3.711  -1.144   1.815  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.326  -0.784   1.842  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.091  -1.008   1.796  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.030  -2.115   0.892  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.510   1.932  -0.411  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.371   1.355   1.035  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.606   1.579   1.081  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.392   1.551  -0.510  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.316   1.810   1.004  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.040  -0.077   2.410  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.839  -2.224   2.302  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.917  -2.485   0.784  1.00  0.00           H  
CONECT    1   21    5   22   22                                       
CONECT    2    3   21   26   53                                       
CONECT    3    2    5   27   54                                       
CONECT    4    9   28   55   56                                       
CONECT    5    3    1   14   29                                       
CONECT    6   24   19   18   18                                       
CONECT    7   19   11    8   57                                       
CONECT    8    7    9   58   59                                       
CONECT    9    8    4   10   60                                       
CONECT   10    9   61   62   63                                       
CONECT   11   23   23    7   20                                       
CONECT   12   20   14   13   64                                       
CONECT   13   12   17   25   30                                       
CONECT   14    5   12   31   32                                       
CONECT   15   16   24   33   34                                       
CONECT   16   15   43   44   45                                       
CONECT   17   13   35                                                 
CONECT   18    6    6                                                 
CONECT   19    6    7   36                                            
CONECT   20   11   12   37                                            
CONECT   21    2    1   38                                            
CONECT   22    1    1                                                 
CONECT   23   11   11                                                 
CONECT   24   15    6                                                 
CONECT   25   13   39   40   40                                       
CONECT   25   41   41                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   25   42                                                 
CONECT   40   25   25                                                 
CONECT   41   25   25                                                 
CONECT   42   39                                                      
CONECT   43   16   65   66   67                                       
CONECT   44   16   68   69   70                                       
CONECT   45   16   46   52   52                                       
CONECT   46   45   47   51   51                                       
CONECT   47   46   48   48   71                                       
CONECT   48   47   47   49   72                                       
CONECT   49   48   50   50   73                                       
CONECT   50   49   49   51   74                                       
CONECT   51   50   46   46   75                                       
CONECT   52   45   45                                                 
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   43                                                      
CONECT   66   43                                                      
CONECT   67   43                                                      
CONECT   68   44                                                      
CONECT   69   44                                                      
CONECT   70   44                                                      
CONECT   71   47                                                      
CONECT   72   48                                                      
CONECT   73   49                                                      
CONECT   74   50                                                      
CONECT   75   51                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
