COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.817  -2.098  -0.618  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.013  -1.647  -0.100  1.00  0.00           C  
HETATM    3  C   UNL     1       4.935   1.904  -0.624  1.00  0.00           C  
HETATM    4  C   UNL     1       0.394   0.020  -0.817  1.00  0.00           C  
HETATM    5  C   UNL     1       0.220   2.159  -1.905  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.300   0.633  -0.448  1.00  0.00           C  
HETATM    7  C   UNL     1       4.708   0.317   1.156  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.269   2.909  -2.310  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.175   2.052  -1.864  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.263  -0.276  -0.011  1.00  0.00           C  
HETATM   11  C   UNL     1       4.278   0.830  -0.054  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.771   0.908  -1.300  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.101   0.170  -0.967  1.00  0.00           C  
HETATM   14  C   UNL     1       0.994   1.144  -1.382  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.544   0.210   0.544  1.00  0.00           C  
HETATM   16  C   UNL     1       5.648  -1.686  -0.837  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.364  -1.236   2.471  1.00  0.00           C  
HETATM   18  C   UNL     1       7.728   2.216   3.220  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.743  -0.189   1.515  1.00  0.00           C  
HETATM   20  C   UNL     1       3.091   0.217  -0.751  1.00  0.00           C  
HETATM   21  C   UNL     1       3.576  -0.811  -1.775  1.00  0.00           C  
HETATM   22  C   UNL     1       6.430  -2.765  -0.134  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.966  -0.099  -0.775  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.862  -1.196  -1.051  1.00  0.00           C  
HETATM   25  C   UNL     1       6.027   2.465   0.009  1.00  0.00           C  
HETATM   26  C   UNL     1       6.465   1.954   1.222  1.00  0.00           C  
HETATM   27  C   UNL     1       5.800   0.879   1.800  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.869  -1.205   2.139  1.00  0.00           C  
HETATM   29  C   UNL     1       7.532   0.707   3.420  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.821  -0.081   0.407  1.00  0.00           C  
HETATM   31  C   UNL     1       2.371  -1.433  -2.483  1.00  0.00           C  
HETATM   32  C   UNL     1       7.910  -2.646  -0.502  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.389   2.306  -2.026  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.131   1.079  -1.407  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.474  -0.670   0.965  1.00  0.00           N  
HETATM   36  N   UNL     1       4.336  -1.861  -1.091  1.00  0.00           N  
HETATM   37  O   UNL     1      -7.760   1.404   0.620  1.00  0.00           O  
HETATM   38  O   UNL     1       6.200  -0.660  -1.175  1.00  0.00           O  
HETATM   39  O   UNL     1       7.547   2.512   1.831  1.00  0.00           O  
HETATM   40  O   UNL     1       6.208   0.367   2.993  1.00  0.00           O  
HETATM   41  O   UNL     1     -12.064  -0.197   1.133  1.00  0.00           O  
HETATM   42  O   UNL     1       2.350   1.240  -1.418  1.00  0.00           O  
HETATM   43  F   UNL     1       6.280  -2.623   1.250  1.00  0.00           F  
HETATM   44  F   UNL     1       5.951  -4.020  -0.528  1.00  0.00           F  
HETATM   45  H   UNL     1      -4.624  -3.158  -0.682  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.757  -2.354   0.237  1.00  0.00           H  
HETATM   47  H   UNL     1       4.596   2.303  -1.569  1.00  0.00           H  
HETATM   48  H   UNL     1       1.011  -0.767  -0.411  1.00  0.00           H  
HETATM   49  H   UNL     1       0.687   3.029  -2.343  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.488   1.695  -0.382  1.00  0.00           H  
HETATM   51  H   UNL     1       4.193  -0.522   1.599  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.169   3.868  -2.796  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.951  -2.225   2.273  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.197  -0.954   3.510  1.00  0.00           H  
HETATM   55  H   UNL     1       6.994   2.764   3.811  1.00  0.00           H  
HETATM   56  H   UNL     1       8.734   2.501   3.528  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.608   0.767   2.020  1.00  0.00           H  
HETATM   58  H   UNL     1       2.452  -0.275  -0.017  1.00  0.00           H  
HETATM   59  H   UNL     1       4.215  -0.320  -2.509  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.417  -0.975  -0.334  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.928  -1.556  -1.456  1.00  0.00           H  
HETATM   62  H   UNL     1       6.541   3.302  -0.440  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.185  -2.176   1.758  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.440  -0.954   3.033  1.00  0.00           H  
HETATM   65  H   UNL     1       8.262   0.159   2.825  1.00  0.00           H  
HETATM   66  H   UNL     1       7.654   0.457   4.474  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.760   0.884  -0.097  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.718  -0.896  -0.310  1.00  0.00           H  
HETATM   69  H   UNL     1       1.806  -0.653  -2.992  1.00  0.00           H  
HETATM   70  H   UNL     1       2.717  -2.166  -3.213  1.00  0.00           H  
HETATM   71  H   UNL     1       1.732  -1.925  -1.750  1.00  0.00           H  
HETATM   72  H   UNL     1       8.283  -1.668  -0.195  1.00  0.00           H  
HETATM   73  H   UNL     1       8.475  -3.426   0.007  1.00  0.00           H  
HETATM   74  H   UNL     1       8.026  -2.757  -1.580  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.302  -1.623   0.904  1.00  0.00           H  
HETATM   76  H   UNL     1       3.895  -2.681  -0.821  1.00  0.00           H  
CONECT    1    2    2   24   45                                       
CONECT    2    1    1   10   46                                       
CONECT    3   25   25   11   47                                       
CONECT    4   23   23   14   48                                       
CONECT    5    9   14   14   49                                       
CONECT    6   10   10   13   50                                       
CONECT    7   27   11   11   51                                       
CONECT    8   33   33    9   52                                       
CONECT    9   12   12    8    5                                       
CONECT   10    2   15    6    6                                       
CONECT   11    7    7    3   20                                       
CONECT   12   34   23    9    9                                       
CONECT   13   24   24    6   34                                       
CONECT   14    4    5    5   42                                       
CONECT   15   35   10   37   37                                       
CONECT   16   38   38   36   22                                       
CONECT   17   19   28   53   54                                       
CONECT   18   29   39   55   56                                       
CONECT   19   30   35   17   57                                       
CONECT   20   42   11   21   58                                       
CONECT   21   20   36   31   59                                       
CONECT   22   32   16   44   43                                       
CONECT   23   12    4    4   60                                       
CONECT   24    1   13   13   61                                       
CONECT   25   26    3    3   62                                       
CONECT   26   39   27   27   25                                       
CONECT   27   40   26   26    7                                       
CONECT   28   41   17   63   64                                       
CONECT   29   40   18   65   66                                       
CONECT   30   19   41   67   68                                       
CONECT   31   21   69   70   71                                       
CONECT   32   22   72   73   74                                       
CONECT   33   34    8    8                                            
CONECT   34   13   33   12                                            
CONECT   35   19   15   75                                            
CONECT   36   21   16   76                                            
CONECT   37   15   15                                                 
CONECT   38   16   16                                                 
CONECT   39   18   26                                                 
CONECT   40   29   27                                                 
CONECT   41   30   28                                                 
CONECT   42   14   20                                                 
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
