COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.874  -3.524  -0.335  1.00  0.00           C  
HETATM    2  C   UNL     1       3.658  -3.102  -1.633  1.00  0.00           C  
HETATM    3  C   UNL     1       2.522  -3.514  -2.314  1.00  0.00           C  
HETATM    4  C   UNL     1       1.605  -4.349  -1.691  1.00  0.00           C  
HETATM    5  C   UNL     1       1.822  -4.758  -0.393  1.00  0.00           C  
HETATM    6  C   UNL     1       2.956  -4.350   0.288  1.00  0.00           C  
HETATM    7  C   UNL     1       4.655  -2.217  -2.326  1.00  0.00           C  
HETATM    8  C   UNL     1       4.758  -0.878  -1.648  1.00  0.00           C  
HETATM    9  C   UNL     1       5.268  -0.777  -0.368  1.00  0.00           C  
HETATM   10  C   UNL     1       5.371   0.461   0.242  1.00  0.00           C  
HETATM   11  C   UNL     1       4.959   1.599  -0.430  1.00  0.00           C  
HETATM   12  C   UNL     1       4.452   1.503  -1.710  1.00  0.00           C  
HETATM   13  C   UNL     1       4.040   2.732  -2.470  1.00  0.00           C  
HETATM   14  C   UNL     1       0.397  -4.814  -2.456  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.876  -4.543  -1.706  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.050  -5.005  -0.418  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.251  -4.056  -0.372  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.888  -3.826  -2.329  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.238  -4.764   0.250  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.080  -3.589  -1.660  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.527  -1.566  -1.664  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.048  -1.571  -0.385  1.00  0.00           C  
HETATM   23  C   UNL     1       4.344   0.261  -2.322  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.188  -2.854  -2.360  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.376  -0.379   0.235  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.180   0.821  -0.426  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.659   0.833  -1.703  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.320  -0.362  -2.323  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.483   2.127  -2.444  1.00  0.00           C  
HETATM   30  C   UNL     1       3.017   3.533  -1.716  1.00  0.00           C  
HETATM   31  C   UNL     1       1.816   3.853  -2.333  1.00  0.00           C  
HETATM   32  C   UNL     1       0.872   4.616  -1.659  1.00  0.00           C  
HETATM   33  C   UNL     1       1.122   5.041  -0.370  1.00  0.00           C  
HETATM   34  C   UNL     1       2.317   4.717   0.247  1.00  0.00           C  
HETATM   35  C   UNL     1       3.263   3.964  -0.428  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.578   3.069  -1.698  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.877   3.455  -0.407  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.043   4.335   0.263  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.913   4.832  -0.362  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.607   4.443  -1.655  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.439   3.557  -2.324  1.00  0.00           C  
HETATM   42  O   UNL     1       1.564   3.419  -3.596  1.00  0.00           O  
HETATM   43  O   UNL     1       3.833   0.162  -3.578  1.00  0.00           O  
HETATM   44  O   UNL     1       2.306  -3.099  -3.590  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.712  -3.358  -3.593  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.787  -0.354  -3.573  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.137   3.166  -3.590  1.00  0.00           O  
HETATM   48  S   UNL     1       2.635   5.262   1.892  1.00  0.00           S  
HETATM   49  S   UNL     1       6.024   0.588   1.874  1.00  0.00           S  
HETATM   50  S   UNL     1       3.234  -4.889   1.942  1.00  0.00           S  
HETATM   51  S   UNL     1      -2.461  -5.360   1.893  1.00  0.00           S  
HETATM   52  S   UNL     1      -6.042  -0.388   1.866  1.00  0.00           S  
HETATM   53  S   UNL     1      -3.422   4.824   1.913  1.00  0.00           S  
HETATM   54  C   UNL     1      -0.401   4.999  -2.359  1.00  0.00           C  
HETATM   55  O   UNL     1       1.921   6.517   2.064  1.00  0.00           O  
HETATM   56  O   UNL     1       2.136   4.224   2.782  1.00  0.00           O1-
HETATM   57  O   UNL     1       4.075   5.432   2.006  1.00  0.00           O  
HETATM   58  O   UNL     1       5.383   1.737   2.494  1.00  0.00           O  
HETATM   59  O   UNL     1       5.694  -0.654   2.556  1.00  0.00           O  
HETATM   60  O   UNL     1       7.460   0.771   1.738  1.00  0.00           O1-
HETATM   61  O   UNL     1       4.676  -4.956   2.125  1.00  0.00           O  
HETATM   62  O   UNL     1       2.619  -3.900   2.814  1.00  0.00           O1-
HETATM   63  O   UNL     1       2.606  -6.195   2.069  1.00  0.00           O  
HETATM   64  O   UNL     1      -1.145  -5.385   2.512  1.00  0.00           O  
HETATM   65  O   UNL     1      -3.360  -4.431   2.558  1.00  0.00           O  
HETATM   66  O   UNL     1      -3.036  -6.692   1.781  1.00  0.00           O1-
HETATM   67  O   UNL     1      -6.911   0.774   1.970  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.778  -1.634   2.011  1.00  0.00           O  
HETATM   69  O   UNL     1      -4.914  -0.310   2.780  1.00  0.00           O1-
HETATM   70  O   UNL     1      -2.772   3.866   2.794  1.00  0.00           O1-
HETATM   71  O   UNL     1      -2.895   6.168   2.084  1.00  0.00           O  
HETATM   72  O   UNL     1      -4.871   4.785   2.039  1.00  0.00           O  
HETATM   73  H   UNL     1       4.762  -3.211   0.192  1.00  0.00           H  
HETATM   74  H   UNL     1       1.104  -5.400   0.096  1.00  0.00           H  
HETATM   75  H   UNL     1       5.631  -2.700  -2.314  1.00  0.00           H  
HETATM   76  H   UNL     1       4.343  -2.069  -3.360  1.00  0.00           H  
HETATM   77  H   UNL     1       5.588  -1.665   0.157  1.00  0.00           H  
HETATM   78  H   UNL     1       5.035   2.564   0.049  1.00  0.00           H  
HETATM   79  H   UNL     1       4.918   3.353  -2.646  1.00  0.00           H  
HETATM   80  H   UNL     1       3.618   2.432  -3.429  1.00  0.00           H  
HETATM   81  H   UNL     1       0.362  -4.295  -3.414  1.00  0.00           H  
HETATM   82  H   UNL     1       0.481  -5.885  -2.635  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.259  -5.556   0.069  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.177  -3.869   0.151  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.200  -2.507   0.132  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.879  -2.635  -3.382  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.074  -3.488  -2.385  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.437   1.751   0.060  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.053   1.921  -3.424  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.457   2.598  -2.575  1.00  0.00           H  
HETATM   91  H   UNL     1       0.384   5.628   0.157  1.00  0.00           H  
HETATM   92  H   UNL     1       4.195   3.712   0.055  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.761   3.071   0.081  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.267   5.522   0.160  1.00  0.00           H  
HETATM   95  H   UNL     1       1.128   2.557  -3.636  1.00  0.00           H  
HETATM   96  H   UNL     1       4.496   0.228  -4.278  1.00  0.00           H  
HETATM   97  H   UNL     1       2.681  -3.684  -4.263  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.993  -3.974  -4.283  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.821  -0.301  -3.588  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.516   3.731  -4.277  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.477   6.086  -2.390  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.376   4.616  -3.379  1.00  0.00           H  
CONECT    1    2    2    6   73                                       
CONECT    2    3    7    1    1                                       
CONECT    3   44    4    4    2                                       
CONECT    4   14    3    3    5                                       
CONECT    5    4    6    6   74                                       
CONECT    6    5    5    1   50                                       
CONECT    7    8    2   75   76                                       
CONECT    8   23    7    9    9                                       
CONECT    9    8    8   10   77                                       
CONECT   10   11   11    9   49                                       
CONECT   11   12   10   10   78                                       
CONECT   12   13   23   23   11                                       
CONECT   13   30   12   79   80                                       
CONECT   14   15    4   81   82                                       
CONECT   15   18   18   16   14                                       
CONECT   16   19   19   15   83                                       
CONECT   17   20   20   19   84                                       
CONECT   18   20   45   15   15                                       
CONECT   19   17   51   16   16                                       
CONECT   20   24   17   17   18                                       
CONECT   21   28   28   22   24                                       
CONECT   22   25   25   21   85                                       
CONECT   23   43   12   12    8                                       
CONECT   24   21   20   86   87                                       
CONECT   25   26   52   22   22                                       
CONECT   26   27   27   25   88                                       
CONECT   27   29   26   26   28                                       
CONECT   28   27   46   21   21                                       
CONECT   29   36   27   89   90                                       
CONECT   30   31   13   35   35                                       
CONECT   31   32   32   42   30                                       
CONECT   32   54   31   31   33                                       
CONECT   33   32   34   34   91                                       
CONECT   34   33   33   35   48                                       
CONECT   35   30   30   34   92                                       
CONECT   36   29   37   41   41                                       
CONECT   37   38   38   36   93                                       
CONECT   38   37   37   53   39                                       
CONECT   39   38   40   40   94                                       
CONECT   40   41   39   39   54                                       
CONECT   41   36   36   47   40                                       
CONECT   42   31   95                                                 
CONECT   43   23   96                                                 
CONECT   44    3   97                                                 
CONECT   45   18   98                                                 
CONECT   46   28   99                                                 
CONECT   47   41  100                                                 
CONECT   48   34   57   57   55                                       
CONECT   48   55   56                                                 
CONECT   49   10   58   58   59                                       
CONECT   49   59   60                                                 
CONECT   50    6   63   63   61                                       
CONECT   50   61   62                                                 
CONECT   51   65   65   64   64                                       
CONECT   51   19   66                                                 
CONECT   52   67   67   68   68                                       
CONECT   52   25   69                                                 
CONECT   53   72   72   71   71                                       
CONECT   53   38   70                                                 
CONECT   54   40   32  101  102                                       
CONECT   55   48   48                                                 
CONECT   56   48                                                      
CONECT   57   48   48                                                 
CONECT   58   49   49                                                 
CONECT   59   49   49                                                 
CONECT   60   49                                                      
CONECT   61   50   50                                                 
CONECT   62   50                                                      
CONECT   63   50   50                                                 
CONECT   64   51   51                                                 
CONECT   65   51   51                                                 
CONECT   66   51                                                      
CONECT   67   52   52                                                 
CONECT   68   52   52                                                 
CONECT   69   52                                                      
CONECT   70   53                                                      
CONECT   71   53   53                                                 
CONECT   72   53   53                                                 
CONECT   73    1                                                      
CONECT   74    5                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    9                                                      
CONECT   78   11                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   22                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   33                                                      
CONECT   92   35                                                      
CONECT   93   37                                                      
CONECT   94   39                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   54                                                      
CONECT  102   54                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
