COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.088  -1.962   9.810  1.00  0.00           C  
HETATM    2  O   UNL     1       2.553  -2.735  10.883  1.00  0.00           O  
HETATM    3  C   UNL     1       3.264  -3.953  11.048  1.00  0.00           C  
HETATM    4  C   UNL     1       2.304  -0.659   9.655  1.00  0.00           C  
HETATM    5  O   UNL     1       2.296   0.028  10.903  1.00  0.00           O  
HETATM    6  C   UNL     1       0.872  -0.922   9.178  1.00  0.00           C  
HETATM    7  O   UNL     1       0.261   0.324   8.845  1.00  0.00           O  
HETATM    8  C   UNL     1       0.902  -1.810   7.927  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.783  -2.334   7.455  1.00  0.00           S  
HETATM   10  C   UNL     1       1.776  -3.045   8.140  1.00  0.00           C  
HETATM   11  O   UNL     1       3.089  -2.680   8.575  1.00  0.00           O  
HETATM   12  S   UNL     1       0.157  -4.437   1.564  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.422  -3.570   3.063  1.00  0.00           C  
HETATM   14  C   UNL     1       0.775  -3.042   3.846  1.00  0.00           C  
HETATM   15  O   UNL     1       0.330  -2.368   5.024  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.345  -3.242   5.929  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.607  -3.823   5.278  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.190  -4.812   6.125  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.276  -4.494   3.937  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.510  -4.785   3.280  1.00  0.00           O  
HETATM   21  S   UNL     1       2.145   0.398  -1.998  1.00  0.00           S  
HETATM   22  C   UNL     1       1.320  -1.089  -1.333  1.00  0.00           C  
HETATM   23  C   UNL     1       0.758  -0.789   0.053  1.00  0.00           C  
HETATM   24  O   UNL     1       0.117  -1.950   0.583  1.00  0.00           O  
HETATM   25  C   UNL     1       1.028  -3.032   0.781  1.00  0.00           C  
HETATM   26  C   UNL     1       1.646  -3.468  -0.553  1.00  0.00           C  
HETATM   27  O   UNL     1       2.667  -4.440  -0.331  1.00  0.00           O  
HETATM   28  C   UNL     1       2.286  -2.277  -1.279  1.00  0.00           C  
HETATM   29  O   UNL     1       2.614  -2.699  -2.604  1.00  0.00           O  
HETATM   30  C   UNL     1       2.675  -0.305  -3.603  1.00  0.00           C  
HETATM   31  C   UNL     1       3.430   0.750  -4.428  1.00  0.00           C  
HETATM   32  C   UNL     1       3.804   0.190  -5.809  1.00  0.00           C  
HETATM   33  C   UNL     1       2.540  -0.356  -6.485  1.00  0.00           C  
HETATM   34  C   UNL     1       1.853  -1.374  -5.576  1.00  0.00           C  
HETATM   35  O   UNL     1       4.625   1.166  -3.776  1.00  0.00           O  
HETATM   36  O   UNL     1       4.764  -0.854  -5.623  1.00  0.00           O  
HETATM   37  S   UNL     1       2.905  -1.104  -8.106  1.00  0.00           S  
HETATM   38  O   UNL     1       1.527  -0.770  -4.321  1.00  0.00           O  
HETATM   39  C   UNL     1       3.689   0.348  -8.888  1.00  0.00           C  
HETATM   40  C   UNL     1       4.130   0.035 -10.324  1.00  0.00           C  
HETATM   41  C   UNL     1       4.796   1.274 -10.933  1.00  0.00           C  
HETATM   42  C   UNL     1       3.887   2.499 -10.802  1.00  0.00           C  
HETATM   43  C   UNL     1       3.411   2.660  -9.362  1.00  0.00           C  
HETATM   44  O   UNL     1       2.980  -0.306 -11.103  1.00  0.00           O  
HETATM   45  O   UNL     1       5.088   1.025 -12.304  1.00  0.00           O  
HETATM   46  O   UNL     1       4.588   3.671 -11.205  1.00  0.00           O  
HETATM   47  O   UNL     1       2.794   1.467  -8.881  1.00  0.00           O  
HETATM   48  H   UNL     1       4.128  -1.741  10.073  1.00  0.00           H  
HETATM   49  H   UNL     1       4.181  -3.924  10.454  1.00  0.00           H  
HETATM   50  H   UNL     1       2.636  -4.788  10.729  1.00  0.00           H  
HETATM   51  H   UNL     1       3.520  -4.074  12.103  1.00  0.00           H  
HETATM   52  H   UNL     1       2.808  -0.007   8.931  1.00  0.00           H  
HETATM   53  H   UNL     1       3.157   0.466  10.985  1.00  0.00           H  
HETATM   54  H   UNL     1       0.282  -1.369   9.987  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.547   0.109   8.354  1.00  0.00           H  
HETATM   56  H   UNL     1       1.300  -1.225   7.089  1.00  0.00           H  
HETATM   57  H   UNL     1       1.342  -3.740   8.868  1.00  0.00           H  
HETATM   58  H   UNL     1       1.895  -3.595   7.199  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.042  -2.729   2.727  1.00  0.00           H  
HETATM   60  H   UNL     1       1.471  -3.839   4.133  1.00  0.00           H  
HETATM   61  H   UNL     1       1.334  -2.311   3.251  1.00  0.00           H  
HETATM   62  H   UNL     1       0.335  -4.044   6.237  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.360  -3.042   5.109  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.999  -4.420   6.487  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.773  -5.452   4.120  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.954  -3.935   3.142  1.00  0.00           H  
HETATM   67  H   UNL     1       0.498  -1.333  -2.017  1.00  0.00           H  
HETATM   68  H   UNL     1       1.534  -0.458   0.756  1.00  0.00           H  
HETATM   69  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   70  H   UNL     1       1.808  -2.727   1.488  1.00  0.00           H  
HETATM   71  H   UNL     1       0.891  -3.921  -1.209  1.00  0.00           H  
HETATM   72  H   UNL     1       3.457  -4.116  -0.789  1.00  0.00           H  
HETATM   73  H   UNL     1       3.227  -2.007  -0.784  1.00  0.00           H  
HETATM   74  H   UNL     1       1.776  -2.757  -3.087  1.00  0.00           H  
HETATM   75  H   UNL     1       3.322  -1.157  -3.362  1.00  0.00           H  
HETATM   76  H   UNL     1       2.798   1.635  -4.578  1.00  0.00           H  
HETATM   77  H   UNL     1       5.195   1.550  -4.461  1.00  0.00           H  
HETATM   78  H   UNL     1       4.285   0.967  -6.414  1.00  0.00           H  
HETATM   79  H   UNL     1       5.527  -0.622  -6.172  1.00  0.00           H  
HETATM   80  H   UNL     1       1.854   0.483  -6.657  1.00  0.00           H  
HETATM   81  H   UNL     1       0.910  -1.713  -6.019  1.00  0.00           H  
HETATM   82  H   UNL     1       2.470  -2.263  -5.392  1.00  0.00           H  
HETATM   83  H   UNL     1       4.561   0.596  -8.272  1.00  0.00           H  
HETATM   84  H   UNL     1       4.816  -0.817 -10.367  1.00  0.00           H  
HETATM   85  H   UNL     1       2.980   0.293 -11.864  1.00  0.00           H  
HETATM   86  H   UNL     1       5.753   1.469 -10.436  1.00  0.00           H  
HETATM   87  H   UNL     1       5.340   1.877 -12.693  1.00  0.00           H  
HETATM   88  H   UNL     1       3.027   2.391 -11.473  1.00  0.00           H  
HETATM   89  H   UNL     1       4.046   4.096 -11.888  1.00  0.00           H  
HETATM   90  H   UNL     1       4.237   2.942  -8.697  1.00  0.00           H  
HETATM   91  H   UNL     1       2.678   3.472  -9.301  1.00  0.00           H  
CONECT    1    2    4   11   48                                       
CONECT    2    1    3                                                 
CONECT    3    2   49   50   51                                       
CONECT    4    1    5    6   52                                       
CONECT    5    4   53                                                 
CONECT    6    4    7    8   54                                       
CONECT    7    6   55                                                 
CONECT    8    6    9   10   56                                       
CONECT    9    8   16                                                 
CONECT   10    8   11   57   58                                       
CONECT   11    1   10                                                 
CONECT   12   13   25                                                 
CONECT   13   19   12   14   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   16   14                                                 
CONECT   16    9   17   15   62                                       
CONECT   17   16   18   19   63                                       
CONECT   18   17   64                                                 
CONECT   19   17   20   13   65                                       
CONECT   20   19   66                                                 
CONECT   21   22   30                                                 
CONECT   22   28   21   23   67                                       
CONECT   23   22   24   68   69                                       
CONECT   24   25   23                                                 
CONECT   25   12   26   24   70                                       
CONECT   26   25   27   28   71                                       
CONECT   27   26   72                                                 
CONECT   28   26   29   22   73                                       
CONECT   29   28   74                                                 
CONECT   30   21   31   38   75                                       
CONECT   31   30   32   35   76                                       
CONECT   32   36   31   33   78                                       
CONECT   33   32   34   37   80                                       
CONECT   34   38   33   81   82                                       
CONECT   35   31   77                                                 
CONECT   36   32   79                                                 
CONECT   37   33   39                                                 
CONECT   38   30   34                                                 
CONECT   39   37   47   40   83                                       
CONECT   40   39   41   44   84                                       
CONECT   41   42   45   40   86                                       
CONECT   42   43   41   46   88                                       
CONECT   43   47   42   90   91                                       
CONECT   44   40   85                                                 
CONECT   45   41   87                                                 
CONECT   46   42   89                                                 
CONECT   47   39   43                                                 
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   35                                                      
CONECT   78   32                                                      
CONECT   79   36                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   44                                                      
CONECT   86   41                                                      
CONECT   87   45                                                      
CONECT   88   42                                                      
CONECT   89   46                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
