COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.518   3.881  -0.069  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.091   0.244  -0.665  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.363  -1.551   0.479  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.836  -3.214   1.340  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.891  -4.254   2.462  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.063   5.348  -1.811  1.00  0.00           C  
HETATM    7  C   UNL     1       1.348  -4.797  -0.934  1.00  0.00           C  
HETATM    8  C   UNL     1       0.483  -3.071   0.481  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.717  -3.719  -1.486  1.00  0.00           C  
HETATM   10  C   UNL     1       1.119  -0.453  -0.561  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.311  -0.575  -0.703  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.671  -1.908  -0.044  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.781   1.036  -0.665  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.849   2.134  -1.728  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.917   3.158  -1.337  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.073  -0.771   0.479  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.433   0.408  -0.493  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.009   4.277  -2.399  1.00  0.00           C  
HETATM   19  C   UNL     1       1.460  -4.005   0.193  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.606  -2.927  -0.358  1.00  0.00           C  
HETATM   21  C   UNL     1       0.259  -4.654  -1.774  1.00  0.00           C  
HETATM   22  C   UNL     1       2.382   0.088   0.057  1.00  0.00           C  
HETATM   23  C   UNL     1       2.416  -0.271   1.544  1.00  0.00           C  
HETATM   24  C   UNL     1       5.820   1.555   3.371  1.00  0.00           C  
HETATM   25  C   UNL     1       4.613   2.231   3.324  1.00  0.00           C  
HETATM   26  C   UNL     1       3.512   1.640   2.733  1.00  0.00           C  
HETATM   27  C   UNL     1       3.617   0.373   2.188  1.00  0.00           C  
HETATM   28  C   UNL     1       4.821  -0.303   2.235  1.00  0.00           C  
HETATM   29  C   UNL     1       5.923   0.286   2.826  1.00  0.00           C  
HETATM   30  C   UNL     1       4.723   0.152  -0.616  1.00  0.00           C  
HETATM   31  C   UNL     1       5.919  -0.453  -1.306  1.00  0.00           C  
HETATM   32  C   UNL     1       7.120   0.484  -1.160  1.00  0.00           C  
HETATM   33  C   UNL     1       9.435   0.710  -1.738  1.00  0.00           C  
HETATM   34  C   UNL     1      10.535   0.029  -2.440  1.00  0.00           C  
HETATM   35  C   UNL     1      11.412  -0.515  -3.000  1.00  0.00           C  
HETATM   36  F   UNL     1       6.897   2.134   3.944  1.00  0.00           F  
HETATM   37  N   UNL     1      -0.082  -0.049  -0.102  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.666   0.135  -0.964  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.049   5.105  -0.364  1.00  0.00           N  
HETATM   40  N   UNL     1       3.545  -0.501  -0.614  1.00  0.00           N  
HETATM   41  O   UNL     1       1.183  -1.251  -1.472  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.613   3.424   1.050  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.571  -2.504   1.401  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.209  -1.318  -0.351  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.227   1.446   0.101  1.00  0.00           O  
HETATM   46  O   UNL     1       4.822   1.227  -0.062  1.00  0.00           O  
HETATM   47  O   UNL     1       8.253  -0.090  -1.814  1.00  0.00           O  
HETATM   48  H   UNL     1      -6.929   0.928  -0.531  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.198  -0.280  -1.615  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.926  -3.715   0.376  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.656  -2.507   1.460  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.071  -4.961   2.342  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.801  -3.753   3.426  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.841  -4.787   2.416  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.060   5.232  -2.223  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.444   6.346  -2.024  1.00  0.00           H  
HETATM   57  H   UNL     1       2.113  -5.525  -1.161  1.00  0.00           H  
HETATM   58  H   UNL     1       0.570  -2.452   1.363  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.568  -3.606  -2.143  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.156  -0.727  -1.771  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.738  -1.774   1.035  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.630  -2.256  -0.428  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.630   1.488   0.315  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.881   2.629  -1.801  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.104   1.692  -2.691  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.883   2.670  -1.210  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.235  -1.455   0.345  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.965  -0.247   1.429  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.027   4.657  -2.478  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.648   3.927  -3.367  1.00  0.00           H  
HETATM   71  H   UNL     1       2.310  -4.118   0.850  1.00  0.00           H  
HETATM   72  H   UNL     1       0.172  -5.272  -2.655  1.00  0.00           H  
HETATM   73  H   UNL     1       2.408   1.171  -0.056  1.00  0.00           H  
HETATM   74  H   UNL     1       1.508   0.091   2.026  1.00  0.00           H  
HETATM   75  H   UNL     1       2.481  -1.353   1.656  1.00  0.00           H  
HETATM   76  H   UNL     1       4.531   3.221   3.749  1.00  0.00           H  
HETATM   77  H   UNL     1       2.570   2.167   2.696  1.00  0.00           H  
HETATM   78  H   UNL     1       4.902  -1.293   1.811  1.00  0.00           H  
HETATM   79  H   UNL     1       6.864  -0.242   2.862  1.00  0.00           H  
HETATM   80  H   UNL     1       6.152  -1.416  -0.851  1.00  0.00           H  
HETATM   81  H   UNL     1       5.695  -0.595  -2.363  1.00  0.00           H  
HETATM   82  H   UNL     1       6.887   1.447  -1.615  1.00  0.00           H  
HETATM   83  H   UNL     1       7.344   0.626  -0.103  1.00  0.00           H  
HETATM   84  H   UNL     1       9.707   0.857  -0.692  1.00  0.00           H  
HETATM   85  H   UNL     1       9.250   1.678  -2.204  1.00  0.00           H  
HETATM   86  H   UNL     1      12.197  -1.000  -3.501  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.133   0.589   0.627  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.814  -0.659  -1.501  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.740   5.747   0.296  1.00  0.00           H  
HETATM   90  H   UNL     1       3.466  -1.360  -1.056  1.00  0.00           H  
CONECT    1   42   42   15   39                                       
CONECT    2   16   13   48   49                                       
CONECT    3   16   43   44   44                                       
CONECT    4   43    5   50   51                                       
CONECT    5    4   52   53   54                                       
CONECT    6   39   18   55   56                                       
CONECT    7   21   21   19   57                                       
CONECT    8   19   19   20   58                                       
CONECT    9   21   20   20   59                                       
CONECT   10   37   41   41   22                                       
CONECT   11   12   37   17   60                                       
CONECT   12   20   11   61   62                                       
CONECT   13   38    2   14   63                                       
CONECT   14   13   15   64   65                                       
CONECT   15   14    1   18   66                                       
CONECT   16    2    3   67   68                                       
CONECT   17   11   38   45   45                                       
CONECT   18   15    6   69   70                                       
CONECT   19    7    8    8   71                                       
CONECT   20    9    9    8   12                                       
CONECT   21    7    7    9   72                                       
CONECT   22   23   10   40   73                                       
CONECT   23   27   22   74   75                                       
CONECT   24   36   29   29   25                                       
CONECT   25   24   26   26   76                                       
CONECT   26   25   25   27   77                                       
CONECT   27   28   28   26   23                                       
CONECT   28   29   27   27   78                                       
CONECT   29   24   24   28   79                                       
CONECT   30   40   31   46   46                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   47   82   83                                       
CONECT   33   47   34   84   85                                       
CONECT   34   33   35   35   35                                       
CONECT   35   34   34   34   86                                       
CONECT   36   24                                                      
CONECT   37   11   10   87                                            
CONECT   38   17   13   88                                            
CONECT   39    1    6   89                                            
CONECT   40   22   30   90                                            
CONECT   41   10   10                                                 
CONECT   42    1    1                                                 
CONECT   43    3    4                                                 
CONECT   44    3    3                                                 
CONECT   45   17   17                                                 
CONECT   46   30   30                                                 
CONECT   47   32   33                                                 
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
