COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.755   0.058  -2.992  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.517  -0.509  -1.591  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.126  -1.884  -1.497  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.644   3.368   1.051  1.00  0.00           C  
HETATM    5  C   UNL     1       6.704   0.093   3.363  1.00  0.00           C  
HETATM    6  C   UNL     1       7.442  -0.986   3.845  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.817  -0.087   0.852  1.00  0.00           C  
HETATM    8  C   UNL     1       0.688   0.054   1.084  1.00  0.00           C  
HETATM    9  C   UNL     1       1.037  -0.440   2.489  1.00  0.00           C  
HETATM   10  C   UNL     1       2.520  -0.300   2.718  1.00  0.00           C  
HETATM   11  C   UNL     1       3.027   0.869   3.254  1.00  0.00           C  
HETATM   12  C   UNL     1       4.384   1.002   3.466  1.00  0.00           C  
HETATM   13  C   UNL     1       5.244  -0.044   3.138  1.00  0.00           C  
HETATM   14  C   UNL     1       4.727  -1.220   2.598  1.00  0.00           C  
HETATM   15  C   UNL     1       3.368  -1.344   2.395  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.562   0.733   1.873  1.00  0.00           C  
HETATM   17  C   UNL     1       8.799  -0.854   4.052  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.165   0.407  -0.552  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.493   1.113   3.309  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.760   1.767   2.753  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.376   2.805   1.696  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.593   3.940   2.357  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.107  -0.858  -4.031  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.344  -0.290  -5.432  1.00  0.00           C  
HETATM   25  C   UNL     1       0.303  -1.208  -6.471  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.971  -0.949  -8.605  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.865   0.157   4.413  1.00  0.00           C  
HETATM   28  C   UNL     1       0.956   0.277  -8.513  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.863  -0.213  -9.879  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.914  -0.289   6.501  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.335  -1.566   6.153  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.737  -2.450   7.135  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.720  -2.065   8.463  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.302  -0.794   8.812  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.893   0.092   7.836  1.00  0.00           C  
HETATM   36  C   UNL     1       0.310   0.543  -9.850  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.680  -0.165 -11.010  1.00  0.00           C  
HETATM   38  C   UNL     1       0.658   1.327 -10.925  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.157   1.369 -12.044  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.322   0.623 -12.083  1.00  0.00           C  
HETATM   41  C   UNL     1       9.429   0.350   3.783  1.00  0.00           C  
HETATM   42  C   UNL     1       8.700   1.425   3.303  1.00  0.00           C  
HETATM   43  C   UNL     1       7.343   1.300   3.088  1.00  0.00           C  
HETATM   44  N   UNL     1       0.075  -0.664  -7.812  1.00  0.00           N  
HETATM   45  N   UNL     1      -2.811   0.382   2.238  1.00  0.00           N  
HETATM   46  N   UNL     1      -4.506   0.609   5.509  1.00  0.00           N  
HETATM   47  O   UNL     1      -1.878  -1.704  -8.314  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.294  -2.010  -1.212  1.00  0.00           O  
HETATM   49  O   UNL     1      -0.372  -2.970  -1.729  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.037   1.709   2.365  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.587  -1.019   4.315  1.00  0.00           O  
HETATM   52  F   UNL     1      10.759   0.475   3.988  1.00  0.00           F  
HETATM   53  H   UNL     1      -1.826   0.121  -3.181  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.314   1.052  -3.060  1.00  0.00           H  
HETATM   55  H   UNL     1       0.554  -0.573  -1.402  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.371   4.107   0.298  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.202   2.559   0.579  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.262   3.839   1.815  1.00  0.00           H  
HETATM   59  H   UNL     1       6.951  -1.925   4.056  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.102  -1.134   0.950  1.00  0.00           H  
HETATM   61  H   UNL     1       1.227  -0.539   0.346  1.00  0.00           H  
HETATM   62  H   UNL     1       0.974   1.101   0.986  1.00  0.00           H  
HETATM   63  H   UNL     1       0.498   0.153   3.227  1.00  0.00           H  
HETATM   64  H   UNL     1       0.751  -1.487   2.587  1.00  0.00           H  
HETATM   65  H   UNL     1       2.360   1.679   3.507  1.00  0.00           H  
HETATM   66  H   UNL     1       4.779   1.916   3.884  1.00  0.00           H  
HETATM   67  H   UNL     1       5.389  -2.034   2.342  1.00  0.00           H  
HETATM   68  H   UNL     1       2.966  -2.256   1.977  1.00  0.00           H  
HETATM   69  H   UNL     1       9.372  -1.690   4.426  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.247   0.397  -0.683  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.793   1.423  -0.682  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.830   1.883   3.703  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.302   2.256   3.562  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.393   1.004   2.300  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.758   2.334   0.932  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.218   4.423   3.109  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.699   3.536   2.833  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.303   4.670   1.601  1.00  0.00           H  
HETATM   79  H   UNL     1       0.964  -0.922  -3.842  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.547  -1.853  -3.963  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.416  -0.227  -5.621  1.00  0.00           H  
HETATM   82  H   UNL     1       0.095   0.703  -5.500  1.00  0.00           H  
HETATM   83  H   UNL     1       1.374  -1.271  -6.281  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.137  -2.202  -6.402  1.00  0.00           H  
HETATM   85  H   UNL     1       1.040   1.204  -7.947  1.00  0.00           H  
HETATM   86  H   UNL     1       1.941  -0.166  -8.655  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.348  -1.867   5.116  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.065  -3.443   6.865  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.035  -2.759   9.229  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.291  -0.497   9.851  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.566   1.084   8.110  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.591  -0.745 -11.045  1.00  0.00           H  
HETATM   93  H   UNL     1       1.566   1.910 -10.897  1.00  0.00           H  
HETATM   94  H   UNL     1       0.116   1.985 -12.887  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.955   0.661 -12.958  1.00  0.00           H  
HETATM   96  H   UNL     1       9.195   2.362   3.094  1.00  0.00           H  
HETATM   97  H   UNL     1       6.775   2.139   2.713  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.257  -0.354   1.793  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.685   1.557   5.609  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.778  -3.848  -1.740  1.00  0.00           H  
CONECT    1    2   23   53   54                                       
CONECT    2    1    3   18   55                                       
CONECT    3    2   48   48   49                                       
CONECT    4   21   56   57   58                                       
CONECT    5    6    6   13   43                                       
CONECT    6    5    5   17   59                                       
CONECT    7    8   16   18   60                                       
CONECT    8    7    9   61   62                                       
CONECT    9    8   10   63   64                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   65                                       
CONECT   12   11   13   13   66                                       
CONECT   13    5   12   12   14                                       
CONECT   14   13   15   15   67                                       
CONECT   15   10   14   14   68                                       
CONECT   16    7   45   50   50                                       
CONECT   17    6   41   41   69                                       
CONECT   18    2    7   70   71                                       
CONECT   19   20   27   45   72                                       
CONECT   20   19   21   73   74                                       
CONECT   21    4   20   22   75                                       
CONECT   22   21   76   77   78                                       
CONECT   23    1   24   79   80                                       
CONECT   24   23   25   81   82                                       
CONECT   25   24   44   83   84                                       
CONECT   26   29   44   47   47                                       
CONECT   27   19   46   51   51                                       
CONECT   28   36   44   85   86                                       
CONECT   29   26   36   36   37                                       
CONECT   30   31   31   35   46                                       
CONECT   31   30   30   32   87                                       
CONECT   32   31   33   33   88                                       
CONECT   33   32   32   34   89                                       
CONECT   34   33   35   35   90                                       
CONECT   35   30   34   34   91                                       
CONECT   36   28   29   29   38                                       
CONECT   37   29   40   40   92                                       
CONECT   38   36   39   39   93                                       
CONECT   39   38   38   40   94                                       
CONECT   40   37   37   39   95                                       
CONECT   41   17   17   42   52                                       
CONECT   42   41   43   43   96                                       
CONECT   43    5   42   42   97                                       
CONECT   44   25   26   28                                            
CONECT   45   16   19   98                                            
CONECT   46   27   30   99                                            
CONECT   47   26   26                                                 
CONECT   48    3    3                                                 
CONECT   49    3  100                                                 
CONECT   50   16   16                                                 
CONECT   51   27   27                                                 
CONECT   52   41                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   49                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
