COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.430  -1.006   2.452  1.00  0.00           O  
HETATM    2  S   UNL     1       4.820  -1.038   1.086  1.00  0.00           S  
HETATM    3  O   UNL     1       5.881  -0.201   0.648  1.00  0.00           O  
HETATM    4  C   UNL     1       5.211  -2.751   0.636  1.00  0.00           C  
HETATM    5  C   UNL     1       5.501  -2.831  -0.864  1.00  0.00           C  
HETATM    6  C   UNL     1       6.441  -3.216   1.418  1.00  0.00           C  
HETATM    7  C   UNL     1       4.022  -3.652   0.974  1.00  0.00           C  
HETATM    8  C   UNL     1       3.361  -0.705   0.060  1.00  0.00           C  
HETATM    9  C   UNL     1       2.789   0.668   0.417  1.00  0.00           C  
HETATM   10  C   UNL     1       3.789   1.756   0.017  1.00  0.00           C  
HETATM   11  C   UNL     1       3.303   3.092   0.517  1.00  0.00           C  
HETATM   12  C   UNL     1       3.539   3.467   1.827  1.00  0.00           C  
HETATM   13  C   UNL     1       3.094   4.693   2.286  1.00  0.00           C  
HETATM   14  C   UNL     1       2.414   5.544   1.435  1.00  0.00           C  
HETATM   15  C   UNL     1       2.179   5.169   0.125  1.00  0.00           C  
HETATM   16  C   UNL     1       2.628   3.945  -0.335  1.00  0.00           C  
HETATM   17  C   UNL     1       1.493   0.881  -0.323  1.00  0.00           C  
HETATM   18  O   UNL     1       1.380   1.810  -1.093  1.00  0.00           O  
HETATM   19  N   UNL     1       0.460   0.037  -0.127  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.799   0.244  -0.846  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.714  -0.414  -2.225  1.00  0.00           C  
HETATM   22  C   UNL     1       0.336   0.285  -3.051  1.00  0.00           C  
HETATM   23  C   UNL     1       1.659   0.034  -3.047  1.00  0.00           C  
HETATM   24  N   UNL     1       2.242   0.869  -3.919  1.00  0.00           N  
HETATM   25  C   UNL     1       1.331   1.629  -4.463  1.00  0.00           C  
HETATM   26  N   UNL     1       0.126   1.293  -3.953  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.931  -0.373  -0.065  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.707  -0.931   0.989  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.191  -0.306  -0.537  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.291  -0.906   0.223  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.398  -2.393  -0.122  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.649  -2.540  -1.521  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.087  -3.095   0.237  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.193  -4.582  -0.108  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.976  -5.463   0.180  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.226  -5.576   1.055  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.835  -2.947   1.636  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.602  -0.204  -0.137  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.542   1.255   0.322  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.799   1.989  -0.147  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.739   3.448   0.311  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.658   3.500   1.838  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.400   2.765   2.307  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.460   1.307   1.849  1.00  0.00           C  
HETATM   45  H   UNL     1       6.348  -2.190  -1.105  1.00  0.00           H  
HETATM   46  H   UNL     1       5.736  -3.861  -1.135  1.00  0.00           H  
HETATM   47  H   UNL     1       4.625  -2.500  -1.422  1.00  0.00           H  
HETATM   48  H   UNL     1       6.235  -3.159   2.487  1.00  0.00           H  
HETATM   49  H   UNL     1       6.676  -4.245   1.148  1.00  0.00           H  
HETATM   50  H   UNL     1       7.289  -2.574   1.177  1.00  0.00           H  
HETATM   51  H   UNL     1       3.145  -3.321   0.417  1.00  0.00           H  
HETATM   52  H   UNL     1       4.257  -4.681   0.704  1.00  0.00           H  
HETATM   53  H   UNL     1       3.815  -3.595   2.043  1.00  0.00           H  
HETATM   54  H   UNL     1       3.646  -0.719  -0.992  1.00  0.00           H  
HETATM   55  H   UNL     1       2.607  -1.471   0.242  1.00  0.00           H  
HETATM   56  H   UNL     1       2.608   0.719   1.490  1.00  0.00           H  
HETATM   57  H   UNL     1       4.761   1.535   0.457  1.00  0.00           H  
HETATM   58  H   UNL     1       3.879   1.785  -1.069  1.00  0.00           H  
HETATM   59  H   UNL     1       4.070   2.802   2.492  1.00  0.00           H  
HETATM   60  H   UNL     1       3.277   4.985   3.309  1.00  0.00           H  
HETATM   61  H   UNL     1       2.065   6.501   1.793  1.00  0.00           H  
HETATM   62  H   UNL     1       1.647   5.834  -0.540  1.00  0.00           H  
HETATM   63  H   UNL     1       2.448   3.654  -1.359  1.00  0.00           H  
HETATM   64  H   UNL     1       0.551  -0.706   0.489  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.980   1.312  -0.964  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.445  -1.464  -2.110  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.679  -0.338  -2.725  1.00  0.00           H  
HETATM   68  H   UNL     1       2.162  -0.710  -2.447  1.00  0.00           H  
HETATM   69  H   UNL     1       1.510   2.396  -5.202  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.727   1.693  -4.181  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.370   0.140  -1.380  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.099  -0.793   1.290  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.216  -2.839   0.443  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.960  -2.165  -2.086  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.268  -2.648  -0.328  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.789  -4.818  -0.989  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.770  -6.279  -0.513  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.099  -4.983   0.614  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.171  -5.171   2.065  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.842  -6.467   0.938  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.524  -3.322   2.201  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.749  -0.239  -1.216  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.431  -0.706   0.360  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.661   1.734  -0.106  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.857   1.952  -1.235  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.680   1.510   0.280  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.858   3.927  -0.116  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.635   3.971  -0.023  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.615   4.538   2.165  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.539   3.020   2.265  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.519   3.244   1.880  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.342   2.802   3.395  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.341   0.828   2.276  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.564   0.783   2.183  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    8                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    6    7                                       
CONECT    5    4   45   46   47                                       
CONECT    6    4   48   49   50                                       
CONECT    7    4   51   52   53                                       
CONECT    8    2    9   54   55                                       
CONECT    9    8   10   17   56                                       
CONECT   10    9   11   57   58                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   59                                       
CONECT   13   12   14   14   60                                       
CONECT   14   13   13   15   61                                       
CONECT   15   14   16   16   62                                       
CONECT   16   11   15   15   63                                       
CONECT   17    9   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   64                                            
CONECT   20   19   21   27   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   68                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   69                                       
CONECT   26   22   25   70                                            
CONECT   27   20   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   71                                            
CONECT   30   29   31   38   72                                       
CONECT   31   30   32   33   73                                       
CONECT   32   31   74                                                 
CONECT   33   31   34   37   75                                       
CONECT   34   33   35   36   76                                       
CONECT   35   34   36   77   78                                       
CONECT   36   34   35   79   80                                       
CONECT   37   33   81                                                 
CONECT   38   30   39   82   83                                       
CONECT   39   38   40   44   84                                       
CONECT   40   39   41   85   86                                       
CONECT   41   40   42   87   88                                       
CONECT   42   41   43   89   90                                       
CONECT   43   42   44   91   92                                       
CONECT   44   39   43   93   94                                       
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
