COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.017  -0.252  -2.690  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.513  -1.458  -2.243  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.290  -2.599  -2.306  1.00  0.00           C  
HETATM    4  C   UNL     1       5.427   2.831  -0.942  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.678   1.817   2.082  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.186   4.191   0.886  1.00  0.00           C  
HETATM    7  C   UNL     1       1.968  -3.315   2.395  1.00  0.00           C  
HETATM    8  C   UNL     1       1.727  -4.782   2.754  1.00  0.00           C  
HETATM    9  C   UNL     1       1.852  -4.965   4.268  1.00  0.00           C  
HETATM   10  C   UNL     1       0.323  -5.193   2.306  1.00  0.00           C  
HETATM   11  C   UNL     1       0.668  -2.937   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1       0.249  -1.474   0.406  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.151  -1.278  -0.178  1.00  0.00           C  
HETATM   14  C   UNL     1       5.243   0.912   0.235  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.918   0.372   0.128  1.00  0.00           C  
HETATM   16  C   UNL     1       6.351   6.292   0.048  1.00  0.00           C  
HETATM   17  C   UNL     1       5.426  -0.011   1.287  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.114  -1.530  -1.687  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.304  -0.184  -3.196  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.575  -2.535  -2.817  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.086  -1.324  -3.254  1.00  0.00           C  
HETATM   22  C   UNL     1       7.589   5.946  -0.782  1.00  0.00           C  
HETATM   23  C   UNL     1       4.466   0.526  -0.860  1.00  0.00           C  
HETATM   24  C   UNL     1       4.850  -1.255   1.227  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.909   1.825   0.399  1.00  0.00           C  
HETATM   26  C   UNL     1       4.081  -1.626   0.134  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.391   3.273   0.594  1.00  0.00           C  
HETATM   28  C   UNL     1       3.890  -0.741  -0.904  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.157   3.258   1.952  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.977   3.498   2.929  1.00  0.00           C  
HETATM   31  C   UNL     1       6.690   4.829  -0.246  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.435   1.107   2.741  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.453   1.000   1.587  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.797   0.996  -3.633  1.00  0.00           F  
HETATM   35  F   UNL     1      -5.335  -3.650  -2.879  1.00  0.00           F  
HETATM   36  N   UNL     1       5.726   2.165   0.120  1.00  0.00           N  
HETATM   37  N   UNL     1       1.941  -3.157   0.939  1.00  0.00           N  
HETATM   38  N   UNL     1       5.846   4.119  -1.209  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.600   0.093   0.077  1.00  0.00           N  
HETATM   40  O   UNL     1      -4.003   2.453   2.833  1.00  0.00           O  
HETATM   41  O   UNL     1       2.978  -3.447  -1.281  1.00  0.00           O  
HETATM   42  O   UNL     1       1.176  -0.637  -0.289  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.311   4.619   2.259  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.731  -0.512  -0.037  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.379   1.782   0.391  1.00  0.00           C  
HETATM   46  O   UNL     1       4.220  -4.093   0.790  1.00  0.00           O  
HETATM   47  S   UNL     1       4.414   1.864  -2.005  1.00  0.00           S  
HETATM   48  S   UNL     1       3.351  -3.228   0.072  1.00  0.00           S  
HETATM   49  H   UNL     1      -2.409   0.639  -2.641  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.895  -3.542  -1.956  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.913   1.579   3.119  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.542   1.654   1.439  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.256   3.638   0.751  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.207   5.055   0.223  1.00  0.00           H  
HETATM   55  H   UNL     1       1.188  -2.699   2.842  1.00  0.00           H  
HETATM   56  H   UNL     1       2.941  -3.003   2.777  1.00  0.00           H  
HETATM   57  H   UNL     1       2.466  -5.406   2.250  1.00  0.00           H  
HETATM   58  H   UNL     1       1.114  -4.342   4.772  1.00  0.00           H  
HETATM   59  H   UNL     1       1.681  -6.010   4.523  1.00  0.00           H  
HETATM   60  H   UNL     1       2.853  -4.673   4.587  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.407  -4.489   2.706  1.00  0.00           H  
HETATM   62  H   UNL     1       0.273  -5.187   1.217  1.00  0.00           H  
HETATM   63  H   UNL     1       0.102  -6.194   2.674  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.097  -3.582   0.684  1.00  0.00           H  
HETATM   65  H   UNL     1       0.782  -3.171  -0.809  1.00  0.00           H  
HETATM   66  H   UNL     1       0.242  -1.209   1.463  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.841  -1.980   0.290  1.00  0.00           H  
HETATM   68  H   UNL     1       6.510   6.651   1.064  1.00  0.00           H  
HETATM   69  H   UNL     1       5.499   6.726  -0.476  1.00  0.00           H  
HETATM   70  H   UNL     1       6.022   0.263   2.144  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.696  -2.518  -1.881  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.493  -0.773  -2.167  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.090  -1.272  -3.649  1.00  0.00           H  
HETATM   74  H   UNL     1       7.552   6.152  -1.852  1.00  0.00           H  
HETATM   75  H   UNL     1       8.563   6.079  -0.311  1.00  0.00           H  
HETATM   76  H   UNL     1       4.998  -1.952   2.039  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.295   1.425  -0.539  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.003   3.635  -0.232  1.00  0.00           H  
HETATM   79  H   UNL     1       3.291  -1.031  -1.755  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.946   4.007   2.018  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.294   3.700   3.952  1.00  0.00           H  
HETATM   82  H   UNL     1       7.074   4.226   0.578  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.908   0.808   3.676  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.581   0.460   2.538  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.702  -0.026   1.316  1.00  0.00           H  
HETATM   86  H   UNL     1       5.582   4.553  -2.035  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.949   0.800   0.209  1.00  0.00           H  
HETATM   88  H   UNL     1       1.174  -0.759  -1.248  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.002   2.114   1.359  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.001   2.440  -0.391  1.00  0.00           H  
CONECT    1   19    2    2   49                                       
CONECT    2    1    1    3   18                                       
CONECT    3   20   20    2   50                                       
CONECT    4   36   36   38   47                                       
CONECT    5   29   33   51   52                                       
CONECT    6   27   43   53   54                                       
CONECT    7   37    8   55   56                                       
CONECT    8    7    9   10   57                                       
CONECT    9    8   58   59   60                                       
CONECT   10    8   61   62   63                                       
CONECT   11   37   12   64   65                                       
CONECT   12   13   11   42   66                                       
CONECT   13   18   39   12   67                                       
CONECT   14   17   36   23   23                                       
CONECT   15   44   44   39   45                                       
CONECT   16   31   22   68   69                                       
CONECT   17   24   24   14   70                                       
CONECT   18    2   13   71   72                                       
CONECT   19   34   21   21    1                                       
CONECT   20   21   35    3    3                                       
CONECT   21   19   19   20   73                                       
CONECT   22   31   16   74   75                                       
CONECT   23   14   14   28   47                                       
CONECT   24   17   17   26   76                                       
CONECT   25   27   45   33   77                                       
CONECT   26   24   28   28   48                                       
CONECT   27    6   29   25   78                                       
CONECT   28   26   26   23   79                                       
CONECT   29   27    5   30   80                                       
CONECT   30   29   43   40   81                                       
CONECT   31   38   22   16   82                                       
CONECT   32   33   40   83   84                                       
CONECT   33   25    5   32   85                                       
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   14    4    4                                            
CONECT   37   48   11    7                                            
CONECT   38    4   31   86                                            
CONECT   39   13   15   87                                            
CONECT   40   30   32                                                 
CONECT   41   48   48                                                 
CONECT   42   12   88                                                 
CONECT   43    6   30                                                 
CONECT   44   15   15                                                 
CONECT   45   15   25   89   90                                       
CONECT   46   48   48                                                 
CONECT   47    4   23                                                 
CONECT   48   46   46   26   41                                       
CONECT   48   41   37                                                 
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   42                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
