COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.777  -0.063   0.587  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.629  -1.189   0.350  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.780  -2.051  -0.905  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.190  -2.576  -0.987  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.514  -3.782  -0.393  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.807  -4.265  -0.467  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.778  -3.539  -1.136  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.453  -2.332  -1.730  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.161  -1.849  -1.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.191  -0.764   0.498  1.00  0.00           C  
HETATM   11  C   UNL     1       2.184  -1.288   0.656  1.00  0.00           C  
HETATM   12  C   UNL     1       2.601  -1.012   2.102  1.00  0.00           C  
HETATM   13  C   UNL     1       3.980  -0.350   2.117  1.00  0.00           C  
HETATM   14  C   UNL     1       4.482  -0.252   3.560  1.00  0.00           C  
HETATM   15  C   UNL     1       5.721   0.651   3.583  1.00  0.00           C  
HETATM   16  C   UNL     1       5.293   2.079   3.242  1.00  0.00           C  
HETATM   17  C   UNL     1       3.881   1.023   1.517  1.00  0.00           C  
HETATM   18  C   UNL     1       3.052  -2.408   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1       4.460  -1.906  -0.110  1.00  0.00           C  
HETATM   20  C   UNL     1       6.068  -0.377  -1.117  1.00  0.00           C  
HETATM   21  C   UNL     1       6.062   0.783  -2.079  1.00  0.00           C  
HETATM   22  C   UNL     1       5.912   2.073  -1.606  1.00  0.00           C  
HETATM   23  C   UNL     1       5.907   3.137  -2.488  1.00  0.00           C  
HETATM   24  C   UNL     1       6.052   2.911  -3.844  1.00  0.00           C  
HETATM   25  C   UNL     1       6.202   1.621  -4.318  1.00  0.00           C  
HETATM   26  C   UNL     1       6.213   0.558  -3.435  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.630   1.128   0.468  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.945   1.184   0.801  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.376   2.553   0.519  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.588   3.237   0.642  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.662   4.553   0.282  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.543   5.213  -0.206  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.338   4.556  -0.335  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.238   3.218   0.026  1.00  0.00           C  
HETATM   35  F   UNL     1      -7.042  -4.010  -1.210  1.00  0.00           F  
HETATM   36  N   UNL     1      -2.479  -0.001   0.231  1.00  0.00           N  
HETATM   37  N   UNL     1       0.777  -1.694   0.623  1.00  0.00           N  
HETATM   38  N   UNL     1       4.492   2.095   2.024  1.00  0.00           N  
HETATM   39  N   UNL     1       4.699  -0.865  -0.933  1.00  0.00           N  
HETATM   40  O   UNL     1      -4.242  -1.104   1.012  1.00  0.00           O  
HETATM   41  O   UNL     1       3.208   1.166   0.518  1.00  0.00           O  
HETATM   42  O   UNL     1       3.059  -3.517   0.981  1.00  0.00           O  
HETATM   43  O   UNL     1       5.378  -2.437   0.478  1.00  0.00           O  
HETATM   44  O   UNL     1       0.097   0.414   0.503  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.222   2.333   0.018  1.00  0.00           O  
HETATM   46  H   UNL     1      -1.930  -1.765   1.225  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.565  -1.449  -1.788  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.083  -2.888  -0.857  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.756  -4.347   0.128  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.059  -5.207  -0.004  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.210  -1.766  -2.253  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.908  -0.905  -2.110  1.00  0.00           H  
HETATM   53  H   UNL     1       2.315  -0.384   0.062  1.00  0.00           H  
HETATM   54  H   UNL     1       1.874  -0.349   2.570  1.00  0.00           H  
HETATM   55  H   UNL     1       2.644  -1.952   2.654  1.00  0.00           H  
HETATM   56  H   UNL     1       4.677  -0.950   1.531  1.00  0.00           H  
HETATM   57  H   UNL     1       3.704   0.177   4.191  1.00  0.00           H  
HETATM   58  H   UNL     1       4.744  -1.245   3.925  1.00  0.00           H  
HETATM   59  H   UNL     1       6.170   0.630   4.576  1.00  0.00           H  
HETATM   60  H   UNL     1       6.444   0.298   2.847  1.00  0.00           H  
HETATM   61  H   UNL     1       4.704   2.484   4.065  1.00  0.00           H  
HETATM   62  H   UNL     1       6.179   2.695   3.096  1.00  0.00           H  
HETATM   63  H   UNL     1       2.646  -2.724  -0.882  1.00  0.00           H  
HETATM   64  H   UNL     1       6.689  -1.178  -1.518  1.00  0.00           H  
HETATM   65  H   UNL     1       6.470  -0.051  -0.158  1.00  0.00           H  
HETATM   66  H   UNL     1       5.799   2.250  -0.546  1.00  0.00           H  
HETATM   67  H   UNL     1       5.789   4.145  -2.118  1.00  0.00           H  
HETATM   68  H   UNL     1       6.047   3.743  -4.534  1.00  0.00           H  
HETATM   69  H   UNL     1       6.315   1.445  -5.377  1.00  0.00           H  
HETATM   70  H   UNL     1       6.334  -0.450  -3.804  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.551   0.380   1.193  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.462   2.728   1.021  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.599   5.083   0.376  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.617   6.253  -0.487  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.474   5.080  -0.716  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.107   0.830  -0.103  1.00  0.00           H  
HETATM   77  H   UNL     1       0.541  -2.633   0.692  1.00  0.00           H  
HETATM   78  H   UNL     1       4.399   2.937   1.553  1.00  0.00           H  
HETATM   79  H   UNL     1       3.965  -0.440  -1.404  1.00  0.00           H  
HETATM   80  H   UNL     1       3.408  -3.309   1.858  1.00  0.00           H  
CONECT    1   40   40   27   36                                       
CONECT    2   10   36    3   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   49                                       
CONECT    6    5    7    7   50                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   51                                       
CONECT    9    4    8    8   52                                       
CONECT   10   37   44   44    2                                       
CONECT   11   12   18   37   53                                       
CONECT   12   13   11   54   55                                       
CONECT   13   17   12   14   56                                       
CONECT   14   15   13   57   58                                       
CONECT   15   16   14   59   60                                       
CONECT   16   38   15   61   62                                       
CONECT   17   38   41   41   13                                       
CONECT   18   42   11   19   63                                       
CONECT   19   18   39   43   43                                       
CONECT   20   39   21   64   65                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   66                                       
CONECT   23   22   24   24   67                                       
CONECT   24   23   23   25   68                                       
CONECT   25   26   26   24   69                                       
CONECT   26   21   25   25   70                                       
CONECT   27   28   28    1   45                                       
CONECT   28   27   27   29   71                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   72                                       
CONECT   31   30   32   32   73                                       
CONECT   32   31   31   33   74                                       
CONECT   33   34   34   32   75                                       
CONECT   34   29   45   33   33                                       
CONECT   35    7                                                      
CONECT   36    1    2   76                                            
CONECT   37   11   10   77                                            
CONECT   38   16   17   78                                            
CONECT   39   19   20   79                                            
CONECT   40    1    1                                                 
CONECT   41   17   17                                                 
CONECT   42   18   80                                                 
CONECT   43   19   19                                                 
CONECT   44   10   10                                                 
CONECT   45   27   34                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
