COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.281   2.394   1.750  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.003   1.796   0.395  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.188   3.147  -1.190  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.995   4.269  -2.212  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.179   3.600  -0.116  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.733   1.903  -1.895  1.00  0.00           C  
HETATM    7  C   UNL     1       1.707   1.080   0.470  1.00  0.00           C  
HETATM    8  C   UNL     1       1.726  -0.320   0.502  1.00  0.00           C  
HETATM    9  C   UNL     1       0.529  -1.027   0.500  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.681  -0.340   0.465  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.961  -1.091   0.463  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.839  -0.980   1.539  1.00  0.00           C  
HETATM   13  C   UNL     1       0.541  -2.534   0.534  1.00  0.00           C  
HETATM   14  C   UNL     1       3.018  -1.047   0.538  1.00  0.00           C  
HETATM   15  C   UNL     1       4.572  -2.578  -0.466  1.00  0.00           C  
HETATM   16  C   UNL     1       5.431  -2.403   0.604  1.00  0.00           C  
HETATM   17  O   UNL     1       4.082   0.421  -1.158  1.00  0.00           O  
HETATM   18  S   UNL     1       3.868   1.798  -0.876  1.00  0.00           S  
HETATM   19  O   UNL     1       4.950   2.651  -0.530  1.00  0.00           O  
HETATM   20  C   UNL     1       2.842   2.559  -2.164  1.00  0.00           C  
HETATM   21  N   UNL     1       2.905   1.793   0.471  1.00  0.00           N  
HETATM   22  C   UNL     1       0.496   1.757   0.430  1.00  0.00           C  
HETATM   23  C   UNL     1       0.478   3.263   0.394  1.00  0.00           C  
HETATM   24  C   UNL     1       3.885  -0.879   1.615  1.00  0.00           C  
HETATM   25  C   UNL     1       5.087  -1.558   1.644  1.00  0.00           C  
HETATM   26  C   UNL     1       6.747  -3.138   0.638  1.00  0.00           C  
HETATM   27  C   UNL     1       4.953  -3.501  -1.594  1.00  0.00           C  
HETATM   28  C   UNL     1       3.368  -1.904  -0.505  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.691   1.054   0.433  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.933   2.837  -0.581  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.317   3.594   1.884  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.493   1.594   2.806  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.292  -1.904  -0.618  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.484  -2.604  -0.623  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.352  -2.499   0.452  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.025  -1.681   1.531  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.813  -3.465  -1.816  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.912  -4.463  -1.445  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.038  -3.698  -0.737  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.528  -3.179   0.491  1.00  0.00           O  
HETATM   41  H   UNL     1      -2.803   1.104   0.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.607   5.155  -1.710  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.289   3.947  -2.977  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.952   4.505  -2.677  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.136   3.836  -0.581  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.316   2.800   0.612  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.790   4.486   0.386  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.690   2.140  -2.360  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.027   1.581  -2.661  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.871   1.104  -1.167  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.590  -0.347   2.378  1.00  0.00           H  
HETATM   52  H   UNL     1       0.529  -2.874   1.570  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.338  -2.916   0.016  1.00  0.00           H  
HETATM   54  H   UNL     1       1.441  -2.901   0.042  1.00  0.00           H  
HETATM   55  H   UNL     1       1.902   2.014  -2.248  1.00  0.00           H  
HETATM   56  H   UNL     1       2.639   3.597  -1.900  1.00  0.00           H  
HETATM   57  H   UNL     1       3.370   2.523  -3.117  1.00  0.00           H  
HETATM   58  H   UNL     1       3.174   2.287   1.261  1.00  0.00           H  
HETATM   59  H   UNL     1       0.395   3.602  -0.639  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.375   3.630   0.966  1.00  0.00           H  
HETATM   61  H   UNL     1       1.400   3.648   0.830  1.00  0.00           H  
HETATM   62  H   UNL     1       3.618  -0.219   2.427  1.00  0.00           H  
HETATM   63  H   UNL     1       5.759  -1.429   2.479  1.00  0.00           H  
HETATM   64  H   UNL     1       7.514  -2.531   0.157  1.00  0.00           H  
HETATM   65  H   UNL     1       7.030  -3.328   1.673  1.00  0.00           H  
HETATM   66  H   UNL     1       6.648  -4.085   0.108  1.00  0.00           H  
HETATM   67  H   UNL     1       4.595  -4.507  -1.377  1.00  0.00           H  
HETATM   68  H   UNL     1       4.503  -3.147  -2.521  1.00  0.00           H  
HETATM   69  H   UNL     1       6.038  -3.517  -1.700  1.00  0.00           H  
HETATM   70  H   UNL     1       2.698  -2.041  -1.340  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.668   2.024   3.655  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.615  -1.989  -1.455  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.703  -1.599   2.367  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.157  -2.834  -2.635  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.921  -4.008  -2.128  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.300  -4.936  -2.347  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.508  -5.223  -0.776  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.379  -2.878  -1.370  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.869  -4.374  -0.533  1.00  0.00           H  
CONECT    1   31   31   32    2                                       
CONECT    2    1   29   30   41                                       
CONECT    3   30    6    5    4                                       
CONECT    4    3   42   43   44                                       
CONECT    5    3   45   46   47                                       
CONECT    6    3   48   49   50                                       
CONECT    7   22   22    8   21                                       
CONECT    8    9    9    7   14                                       
CONECT    9   10   13    8    8                                       
CONECT   10   11   29   29    9                                       
CONECT   11   33   10   12   12                                       
CONECT   12   11   11   36   51                                       
CONECT   13    9   52   53   54                                       
CONECT   14   28    8   24   24                                       
CONECT   15   27   28   28   16                                       
CONECT   16   15   26   25   25                                       
CONECT   17   18   18                                                 
CONECT   18   21   17   17   19                                       
CONECT   18   19   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   55   56   57                                       
CONECT   21    7   18   58                                            
CONECT   22   29   23    7    7                                       
CONECT   23   22   59   60   61                                       
CONECT   24   14   14   25   62                                       
CONECT   25   16   16   24   63                                       
CONECT   26   16   64   65   66                                       
CONECT   27   15   67   68   69                                       
CONECT   28   15   15   14   70                                       
CONECT   29    2   10   10   22                                       
CONECT   30    2    3                                                 
CONECT   31    1    1                                                 
CONECT   32    1   71                                                 
CONECT   33   34   34   11   72                                       
CONECT   34   37   33   33   35                                       
CONECT   35   34   40   36   36                                       
CONECT   36   35   35   12   73                                       
CONECT   37   38   34   74   75                                       
CONECT   38   37   39   76   77                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   35                                                 
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
