COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.568   3.681   1.818  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.780   3.278   2.880  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.547   2.698   2.644  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.103   2.521   1.347  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.889   2.929   0.286  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.124   3.505   0.521  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.724  -1.030  -0.276  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.943  -0.279   0.863  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.216  -0.178   1.391  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.273  -0.820   0.773  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.055  -1.570  -0.368  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.780  -1.675  -0.892  1.00  0.00           C  
HETATM   13  C   UNL     1       1.147   0.965   2.204  1.00  0.00           C  
HETATM   14  C   UNL     1       0.672   2.079   1.536  1.00  0.00           C  
HETATM   15  C   UNL     1       1.437   2.682   0.554  1.00  0.00           C  
HETATM   16  C   UNL     1       2.681   2.174   0.236  1.00  0.00           C  
HETATM   17  C   UNL     1       3.164   1.051   0.905  1.00  0.00           C  
HETATM   18  C   UNL     1       2.387   0.445   1.890  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.760   1.889   1.090  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.453   1.959  -0.340  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.684   2.638   1.880  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.791   0.425   1.534  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.808   4.946  -3.097  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.769   3.617  -3.400  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.000   2.665  -2.398  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.276   3.098  -1.089  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.306   4.458  -0.801  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.075   5.373  -1.803  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.027   1.317  -2.397  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.287   0.876  -1.217  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.206  -2.273  -1.039  1.00  0.00           C  
HETATM   32  F   UNL     1      -7.361  -1.492  -0.922  1.00  0.00           F  
HETATM   33  F   UNL     1      -5.909  -2.466  -2.393  1.00  0.00           F  
HETATM   34  P   UNL     1      -6.481  -3.889  -0.241  1.00  0.00           P  
HETATM   35  O   UNL     1      -5.113  -4.737  -0.261  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.949  -3.662   1.283  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.531  -4.629  -0.975  1.00  0.00           O  
HETATM   38  C   UNL     1       5.528   1.357   0.220  1.00  0.00           C  
HETATM   39  C   UNL     1       9.060   1.084  -0.756  1.00  0.00           C  
HETATM   40  C   UNL     1      10.524  -0.925  -1.034  1.00  0.00           C  
HETATM   41  C   UNL     1       7.861   1.666  -0.457  1.00  0.00           C  
HETATM   42  C   UNL     1       6.787   0.829  -0.099  1.00  0.00           C  
HETATM   43  C   UNL     1       6.991  -0.574  -0.062  1.00  0.00           C  
HETATM   44  N   UNL     1       8.190  -1.078  -0.371  1.00  0.00           N  
HETATM   45  C   UNL     1       9.193  -0.302  -0.701  1.00  0.00           C  
HETATM   46  C   UNL     1       4.500   0.501   0.567  1.00  0.00           C  
HETATM   47  C   UNL     1       4.710  -0.887   0.601  1.00  0.00           C  
HETATM   48  C   UNL     1       5.923  -1.417   0.295  1.00  0.00           C  
HETATM   49  P   UNL     1       6.166  -3.214   0.349  1.00  0.00           P  
HETATM   50  O   UNL     1       5.828  -3.844  -1.093  1.00  0.00           O  
HETATM   51  O   UNL     1       7.697  -3.537   0.730  1.00  0.00           O  
HETATM   52  O   UNL     1       5.269  -3.803   1.368  1.00  0.00           O  
HETATM   53  H   UNL     1      -6.532   4.133   2.002  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.127   3.415   3.893  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.931   2.383   3.474  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.542   2.791  -0.728  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.740   3.819  -0.308  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.728  -1.112  -0.686  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.387   0.408   2.282  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.269  -0.737   1.182  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.609  -2.261  -1.783  1.00  0.00           H  
HETATM   62  H   UNL     1       0.546   0.498   2.970  1.00  0.00           H  
HETATM   63  H   UNL     1       1.062   3.551   0.036  1.00  0.00           H  
HETATM   64  H   UNL     1       3.277   2.646  -0.531  1.00  0.00           H  
HETATM   65  H   UNL     1       2.757  -0.425   2.412  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.867   2.518   2.948  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.717   3.697   1.623  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.856  -0.060   1.255  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.916   0.376   2.616  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.628   5.676  -3.873  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.559   3.298  -4.410  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.514   4.794   0.204  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.102   6.430  -1.581  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.456  -4.220   0.226  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.083  -4.539   1.667  1.00  0.00           H  
HETATM   76  H   UNL     1       5.363   2.424   0.195  1.00  0.00           H  
HETATM   77  H   UNL     1       9.905   1.698  -1.035  1.00  0.00           H  
HETATM   78  H   UNL     1      11.123  -1.009  -0.128  1.00  0.00           H  
HETATM   79  H   UNL     1      10.365  -1.916  -1.458  1.00  0.00           H  
HETATM   80  H   UNL     1      11.046  -0.300  -1.758  1.00  0.00           H  
HETATM   81  H   UNL     1       7.741   2.739  -0.495  1.00  0.00           H  
HETATM   82  H   UNL     1       3.897  -1.542   0.874  1.00  0.00           H  
HETATM   83  H   UNL     1       6.433  -3.435  -1.727  1.00  0.00           H  
HETATM   84  H   UNL     1       7.783  -4.500   0.748  1.00  0.00           H  
CONECT    1    2    2    6   53                                       
CONECT    2    1    1    3   54                                       
CONECT    3    2    4    4   55                                       
CONECT    4    3    3    5   19                                       
CONECT    5    4    6    6   56                                       
CONECT    6    1    5    5   57                                       
CONECT    7    8    8   12   58                                       
CONECT    8    7    7    9   22                                       
CONECT    9    8   10   10   59                                       
CONECT   10    9    9   11   60                                       
CONECT   11   10   12   12   31                                       
CONECT   12    7   11   11   61                                       
CONECT   13   14   14   18   62                                       
CONECT   14   13   13   15   21                                       
CONECT   15   14   16   16   63                                       
CONECT   16   15   15   17   64                                       
CONECT   17   16   18   18   46                                       
CONECT   18   13   17   17   65                                       
CONECT   19    4   20   21   22                                       
CONECT   20   19   26   30                                            
CONECT   21   14   19   66   67                                       
CONECT   22    8   19   68   69                                       
CONECT   23   24   24   28   70                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   29                                       
CONECT   26   20   25   25   27                                       
CONECT   27   26   28   28   72                                       
CONECT   28   23   27   27   73                                       
CONECT   29   25   30   30                                            
CONECT   30   20   29   29                                            
CONECT   31   11   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31   35   36   37                                       
CONECT   34   37                                                      
CONECT   35   34   74                                                 
CONECT   36   34   75                                                 
CONECT   37   34   34                                                 
CONECT   38   42   42   46   76                                       
CONECT   39   41   41   45   77                                       
CONECT   40   45   78   79   80                                       
CONECT   41   39   39   42   81                                       
CONECT   42   38   38   41   43                                       
CONECT   43   42   44   48   48                                       
CONECT   44   43   45   45                                            
CONECT   45   39   40   44   44                                       
CONECT   46   17   38   47   47                                       
CONECT   47   46   46   48   82                                       
CONECT   48   43   43   47   49                                       
CONECT   49   48   50   51   52                                       
CONECT   49   52                                                      
CONECT   50   49   83                                                 
CONECT   51   49   84                                                 
CONECT   52   49   49                                                 
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   47                                                      
CONECT   83   50                                                      
CONECT   84   51                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
