COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.877   0.253  -4.644  1.00  0.00           C  
HETATM    2  N   UNL     1      -8.295   1.082  -3.580  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.040   0.500  -3.086  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.793   0.962  -1.673  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.693   0.552  -1.013  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.453   1.001   0.361  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.976   0.950   0.656  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.501   1.461   1.809  1.00  0.00           N  
HETATM    9  O   UNL     1      -7.586   1.703  -1.131  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.215   0.450  -0.145  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.305   2.133   2.846  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.300   3.041   3.599  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.025   2.157   3.606  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.097   1.433   2.245  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.628  -0.015   2.397  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.594  -0.678   1.044  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.582  -1.611   0.507  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.136  -1.963  -0.781  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.957  -1.288  -1.009  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.642  -0.516   0.088  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.887  -2.852  -1.543  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.056  -3.377  -1.030  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.492  -3.027   0.243  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.770  -2.155   1.007  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.783  -4.240  -1.772  1.00  0.00           F  
HETATM   26  C   UNL     1      -5.883   0.952  -3.980  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.199   0.086   1.334  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.706   0.216   1.103  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.747   3.306   4.931  1.00  0.00           O  
HETATM   30  C   UNL     1       9.208   3.242  -1.702  1.00  0.00           C  
HETATM   31  N   UNL     1       8.858   1.815  -1.674  1.00  0.00           N  
HETATM   32  C   UNL     1       7.406   1.627  -1.786  1.00  0.00           C  
HETATM   33  C   UNL     1       7.021   0.310  -1.162  1.00  0.00           C  
HETATM   34  N   UNL     1       5.730  -0.077  -1.148  1.00  0.00           N  
HETATM   35  C   UNL     1       5.356  -1.357  -0.542  1.00  0.00           C  
HETATM   36  C   UNL     1       3.917  -1.301  -0.097  1.00  0.00           C  
HETATM   37  N   UNL     1       3.448  -2.205   0.785  1.00  0.00           N  
HETATM   38  O   UNL     1       7.872  -0.401  -0.672  1.00  0.00           O  
HETATM   39  O   UNL     1       3.180  -0.442  -0.534  1.00  0.00           O  
HETATM   40  C   UNL     1       4.234  -3.286   1.407  1.00  0.00           C  
HETATM   41  C   UNL     1       3.189  -4.359   1.802  1.00  0.00           C  
HETATM   42  C   UNL     1       1.993  -3.479   2.252  1.00  0.00           C  
HETATM   43  C   UNL     1       2.070  -2.272   1.293  1.00  0.00           C  
HETATM   44  C   UNL     1       1.722  -0.986   2.046  1.00  0.00           C  
HETATM   45  C   UNL     1       1.579   0.148   1.064  1.00  0.00           C  
HETATM   46  C   UNL     1       2.529   1.237   0.848  1.00  0.00           C  
HETATM   47  C   UNL     1       1.975   2.052  -0.159  1.00  0.00           C  
HETATM   48  N   UNL     1       0.771   1.493  -0.527  1.00  0.00           N  
HETATM   49  C   UNL     1       0.544   0.349   0.207  1.00  0.00           C  
HETATM   50  C   UNL     1       2.669   3.181  -0.579  1.00  0.00           C  
HETATM   51  C   UNL     1       3.887   3.490  -0.007  1.00  0.00           C  
HETATM   52  C   UNL     1       4.429   2.682   0.986  1.00  0.00           C  
HETATM   53  C   UNL     1       3.764   1.568   1.413  1.00  0.00           C  
HETATM   54  F   UNL     1       4.559   4.588  -0.417  1.00  0.00           F  
HETATM   55  C   UNL     1       7.004   1.628  -3.262  1.00  0.00           C  
HETATM   56  C   UNL     1       5.529  -2.478  -1.569  1.00  0.00           C  
HETATM   57  C   UNL     1       7.010  -2.621  -1.923  1.00  0.00           C  
HETATM   58  O   UNL     1       3.667  -5.166   2.881  1.00  0.00           O  
HETATM   59  H   UNL     1      -8.174   0.183  -5.475  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.082  -0.744  -4.257  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.805   0.707  -4.992  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.155   2.030  -3.895  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.111  -0.587  -3.106  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.059  -0.041  -1.447  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.812   2.024   0.477  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.089   2.735   2.388  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.736   1.400   3.527  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.129   3.970   3.055  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.129   2.773   3.671  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.059   1.437   4.424  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.473   1.952   1.517  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.629  -0.030   2.834  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.317  -0.554   3.048  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.430  -1.345  -1.821  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.556  -3.130  -2.533  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.409  -3.446   0.629  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.114  -1.887   1.995  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.951   0.520  -3.614  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.061   0.618  -5.002  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.812   2.039  -3.960  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.894  -0.947   1.168  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.963   0.375   2.358  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.995   1.265   1.168  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.956  -0.169   0.114  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.241  -0.356   1.861  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.593   3.772   4.976  1.00  0.00           H  
HETATM   87  H   UNL     1       8.870   3.680  -2.641  1.00  0.00           H  
HETATM   88  H   UNL     1       8.724   3.751  -0.868  1.00  0.00           H  
HETATM   89  H   UNL     1      10.289   3.353  -1.617  1.00  0.00           H  
HETATM   90  H   UNL     1       9.346   1.309  -2.398  1.00  0.00           H  
HETATM   91  H   UNL     1       6.893   2.438  -1.269  1.00  0.00           H  
HETATM   92  H   UNL     1       5.049   0.491  -1.540  1.00  0.00           H  
HETATM   93  H   UNL     1       5.995  -1.552   0.319  1.00  0.00           H  
HETATM   94  H   UNL     1       4.947  -3.696   0.692  1.00  0.00           H  
HETATM   95  H   UNL     1       4.754  -2.917   2.291  1.00  0.00           H  
HETATM   96  H   UNL     1       2.920  -4.976   0.945  1.00  0.00           H  
HETATM   97  H   UNL     1       1.052  -4.014   2.128  1.00  0.00           H  
HETATM   98  H   UNL     1       2.119  -3.157   3.286  1.00  0.00           H  
HETATM   99  H   UNL     1       1.380  -2.415   0.461  1.00  0.00           H  
HETATM  100  H   UNL     1       0.783  -1.123   2.583  1.00  0.00           H  
HETATM  101  H   UNL     1       2.516  -0.754   2.756  1.00  0.00           H  
HETATM  102  H   UNL     1       0.174   1.850  -1.204  1.00  0.00           H  
HETATM  103  H   UNL     1       2.256   3.815  -1.350  1.00  0.00           H  
HETATM  104  H   UNL     1       5.383   2.937   1.423  1.00  0.00           H  
HETATM  105  H   UNL     1       4.191   0.946   2.185  1.00  0.00           H  
HETATM  106  H   UNL     1       7.517   0.817  -3.779  1.00  0.00           H  
HETATM  107  H   UNL     1       5.926   1.488  -3.345  1.00  0.00           H  
HETATM  108  H   UNL     1       7.283   2.581  -3.713  1.00  0.00           H  
HETATM  109  H   UNL     1       5.163  -3.415  -1.149  1.00  0.00           H  
HETATM  110  H   UNL     1       4.961  -2.238  -2.468  1.00  0.00           H  
HETATM  111  H   UNL     1       7.375  -1.684  -2.343  1.00  0.00           H  
HETATM  112  H   UNL     1       7.577  -2.862  -1.024  1.00  0.00           H  
HETATM  113  H   UNL     1       7.133  -3.420  -2.655  1.00  0.00           H  
HETATM  114  H   UNL     1       4.472  -5.661   2.676  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    1    3   62                                            
CONECT    3    2   26    4   63                                       
CONECT    4    9    9    3    5                                       
CONECT    5    4    6   64                                            
CONECT    6    5    7   27   65                                       
CONECT    7    6    8   10   10                                       
CONECT    8   11    7   14                                            
CONECT    9    4    4                                                 
CONECT   10    7    7                                                 
CONECT   11   12    8   66   67                                       
CONECT   12   11   13   29   68                                       
CONECT   13   12   14   69   70                                       
CONECT   14   13    8   15   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   17   20   20                                       
CONECT   17   24   24   16   18                                       
CONECT   18   17   19   21   21                                       
CONECT   19   20   18   74                                            
CONECT   20   16   16   49   19                                       
CONECT   21   18   18   22   75                                       
CONECT   22   23   23   21   25                                       
CONECT   23   24   22   22   76                                       
CONECT   24   17   17   23   77                                       
CONECT   25   22                                                      
CONECT   26    3   78   79   80                                       
CONECT   27    6   28   81   82                                       
CONECT   28   27   83   84   85                                       
CONECT   29   12   86                                                 
CONECT   30   31   87   88   89                                       
CONECT   31   30   32   90                                            
CONECT   32   31   33   55   91                                       
CONECT   33   38   38   32   34                                       
CONECT   34   35   33   92                                            
CONECT   35   36   34   56   93                                       
CONECT   36   39   39   37   35                                       
CONECT   37   43   36   40                                            
CONECT   38   33   33                                                 
CONECT   39   36   36                                                 
CONECT   40   37   41   94   95                                       
CONECT   41   42   58   40   96                                       
CONECT   42   43   41   97   98                                       
CONECT   43   44   42   37   99                                       
CONECT   44   45   43  100  101                                       
CONECT   45   49   49   46   44                                       
CONECT   46   47   47   45   53                                       
CONECT   47   50   48   46   46                                       
CONECT   48   47   49  102                                            
CONECT   49   48   20   45   45                                       
CONECT   50   51   51   47  103                                       
CONECT   51   54   50   50   52                                       
CONECT   52   51   53   53  104                                       
CONECT   53   52   52   46  105                                       
CONECT   54   51                                                      
CONECT   55   32  106  107  108                                       
CONECT   56   35   57  109  110                                       
CONECT   57   56  111  112  113                                       
CONECT   58   41  114                                                 
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   48                                                      
CONECT  103   50                                                      
CONECT  104   52                                                      
CONECT  105   53                                                      
CONECT  106   55                                                      
CONECT  107   55                                                      
CONECT  108   55                                                      
CONECT  109   56                                                      
CONECT  110   56                                                      
CONECT  111   57                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
CONECT  114   58                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
