COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.638   3.692   1.901  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.815   3.291   2.937  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.592   2.709   2.662  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.191   2.527   1.352  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.012   2.933   0.316  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.237   3.511   0.590  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.871  -1.029  -0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.050  -0.274   0.872  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.306  -0.170   1.441  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.383  -0.812   0.861  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.204  -1.566  -0.284  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.947  -1.675  -0.850  1.00  0.00           C  
HETATM   13  C   UNL     1       2.321   2.680   0.408  1.00  0.00           C  
HETATM   14  C   UNL     1       1.588   2.081   1.417  1.00  0.00           C  
HETATM   15  C   UNL     1       2.084   0.968   2.072  1.00  0.00           C  
HETATM   16  C   UNL     1       3.311   0.446   1.718  1.00  0.00           C  
HETATM   17  C   UNL     1       4.056   1.048   0.706  1.00  0.00           C  
HETATM   18  C   UNL     1       3.552   2.169   0.049  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.858   1.893   1.053  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.598   1.958  -0.388  1.00  0.00           N  
HETATM   21  C   UNL     1       0.244   2.643   1.803  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.876   0.430   1.502  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.042   4.936  -3.174  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.014   3.605  -3.473  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.214   2.657  -2.462  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.446   3.094  -1.146  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.464   4.455  -0.861  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.265   5.367  -1.873  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.242   1.309  -2.456  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.463   0.872  -1.266  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.378  -2.270  -0.915  1.00  0.00           C  
HETATM   32  F   UNL     1      -6.527  -1.487  -0.761  1.00  0.00           F  
HETATM   33  F   UNL     1      -5.126  -2.467  -2.276  1.00  0.00           F  
HETATM   34  P   UNL     1      -5.628  -3.883  -0.102  1.00  0.00           P  
HETATM   35  O   UNL     1      -4.262  -4.733  -0.165  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.703  -4.624  -0.798  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.045  -3.650   1.435  1.00  0.00           O  
HETATM   38  C   UNL     1       5.379   0.494   0.325  1.00  0.00           C  
HETATM   39  C   UNL     1       5.594  -0.883   0.349  1.00  0.00           C  
HETATM   40  C   UNL     1       6.828  -1.392  -0.001  1.00  0.00           C  
HETATM   41  C   UNL     1       7.847  -0.539  -0.385  1.00  0.00           C  
HETATM   42  C   UNL     1       7.638   0.828  -0.416  1.00  0.00           C  
HETATM   43  C   UNL     1       6.409   1.348  -0.063  1.00  0.00           C  
HETATM   44  P   UNL     1       7.112  -3.183   0.037  1.00  0.00           P  
HETATM   45  O   UNL     1       7.017  -3.668   1.432  1.00  0.00           O  
HETATM   46  O   UNL     1       8.578  -3.506  -0.545  1.00  0.00           O  
HETATM   47  O   UNL     1       6.002  -3.921  -0.865  1.00  0.00           O  
HETATM   48  H   UNL     1      -5.594   4.146   2.115  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.128   3.433   3.961  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.949   2.396   3.472  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.699   2.792  -0.708  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.880   3.824  -0.219  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.889  -1.114  -0.714  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.446   0.420   2.335  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.365  -0.727   1.303  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.807  -2.264  -1.744  1.00  0.00           H  
HETATM   57  H   UNL     1       1.929   3.548  -0.100  1.00  0.00           H  
HETATM   58  H   UNL     1       1.507   0.505   2.859  1.00  0.00           H  
HETATM   59  H   UNL     1       3.697  -0.423   2.230  1.00  0.00           H  
HETATM   60  H   UNL     1       4.123   2.637  -0.738  1.00  0.00           H  
HETATM   61  H   UNL     1       0.097   2.526   2.877  1.00  0.00           H  
HETATM   62  H   UNL     1       0.205   3.701   1.544  1.00  0.00           H  
HETATM   63  H   UNL     1       0.048  -0.057   1.193  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.965   0.385   2.588  1.00  0.00           H  
HETATM   65  H   UNL     1       0.113   5.662  -3.958  1.00  0.00           H  
HETATM   66  H   UNL     1       0.161   3.283  -4.489  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.638   4.795   0.149  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.283   6.424  -1.654  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.589  -4.215   0.298  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.167  -4.526   1.827  1.00  0.00           H  
HETATM   71  H   UNL     1       4.799  -1.549   0.649  1.00  0.00           H  
HETATM   72  H   UNL     1       8.810  -0.942  -0.662  1.00  0.00           H  
HETATM   73  H   UNL     1       8.437   1.489  -0.717  1.00  0.00           H  
HETATM   74  H   UNL     1       6.246   2.416  -0.087  1.00  0.00           H  
HETATM   75  H   UNL     1       8.688  -4.466  -0.507  1.00  0.00           H  
HETATM   76  H   UNL     1       6.098  -3.578  -1.764  1.00  0.00           H  
CONECT    1    2    2    6   48                                       
CONECT    2    1    1    3   49                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5   19                                       
CONECT    5    4    6    6   51                                       
CONECT    6    1    5    5   52                                       
CONECT    7    8    8   12   53                                       
CONECT    8    7    7    9   22                                       
CONECT    9    8   10   10   54                                       
CONECT   10    9    9   11   55                                       
CONECT   11   10   12   12   31                                       
CONECT   12    7   11   11   56                                       
CONECT   13   14   14   18   57                                       
CONECT   14   13   13   15   21                                       
CONECT   15   14   16   16   58                                       
CONECT   16   15   15   17   59                                       
CONECT   17   16   18   18   38                                       
CONECT   18   13   17   17   60                                       
CONECT   19    4   20   21   22                                       
CONECT   20   19   26   30                                            
CONECT   21   14   19   61   62                                       
CONECT   22    8   19   63   64                                       
CONECT   23   24   24   28   65                                       
CONECT   24   23   23   25   66                                       
CONECT   25   24   26   26   29                                       
CONECT   26   20   25   25   27                                       
CONECT   27   26   28   28   67                                       
CONECT   28   23   27   27   68                                       
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   36                                       
CONECT   34   37                                                      
CONECT   35   34   69                                                 
CONECT   36   34   34                                                 
CONECT   37   34   70                                                 
CONECT   38   17   39   39   43                                       
CONECT   39   38   38   40   71                                       
CONECT   40   39   41   41   44                                       
CONECT   41   40   40   42   72                                       
CONECT   42   41   43   43   73                                       
CONECT   43   38   42   42   74                                       
CONECT   44   40   45   45   46                                       
CONECT   44   47                                                      
CONECT   45   44   44                                                 
CONECT   46   44   75                                                 
CONECT   47   44   76                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   39                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   46                                                      
CONECT   76   47                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
