COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.075   0.813  -0.653  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.632   1.740  -1.208  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.625   0.878  -0.380  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.922   1.962  -0.739  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.473   2.030  -0.465  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.901   1.113   0.091  1.00  0.00           O  
HETATM    7  N   UNL     1      -1.788   3.150  -0.851  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.345   3.149  -0.517  1.00  0.00           C  
HETATM    9  C   UNL     1       0.310   1.981  -1.208  1.00  0.00           C  
HETATM   10  O   UNL     1       0.412   1.958  -2.417  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.168   3.015   0.997  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.114   4.407   1.629  1.00  0.00           C  
HETATM   13  C   UNL     1       1.151   5.130   1.164  1.00  0.00           C  
HETATM   14  C   UNL     1       1.205   6.522   1.797  1.00  0.00           C  
HETATM   15  C   UNL     1       1.224   6.389   3.321  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.041   5.666   3.786  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.095   4.274   3.153  1.00  0.00           C  
HETATM   18  N   UNL     1       0.787   0.952  -0.454  1.00  0.00           N  
HETATM   19  C   UNL     1       1.418  -0.163  -1.189  1.00  0.00           C  
HETATM   20  C   UNL     1       0.820  -1.462  -0.712  1.00  0.00           C  
HETATM   21  O   UNL     1       0.566  -1.634   0.461  1.00  0.00           O  
HETATM   22  C   UNL     1       2.925  -0.164  -0.924  1.00  0.00           C  
HETATM   23  C   UNL     1       3.537   1.088  -1.497  1.00  0.00           C  
HETATM   24  C   UNL     1       3.635   2.228  -0.721  1.00  0.00           C  
HETATM   25  C   UNL     1       4.006   1.094  -2.798  1.00  0.00           C  
HETATM   26  C   UNL     1       4.196   3.376  -1.246  1.00  0.00           C  
HETATM   27  C   UNL     1       4.567   2.242  -3.325  1.00  0.00           C  
HETATM   28  C   UNL     1       4.660   3.385  -2.550  1.00  0.00           C  
HETATM   29  F   UNL     1       5.208   4.508  -3.065  1.00  0.00           F  
HETATM   30  N   UNL     1       0.570  -2.441  -1.635  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.015  -3.686  -1.084  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.465  -3.754  -1.492  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.798  -3.501  -2.631  1.00  0.00           O  
HETATM   34  C   UNL     1       0.089  -3.671   0.443  1.00  0.00           C  
HETATM   35  C   UNL     1       1.535  -3.786   0.849  1.00  0.00           C  
HETATM   36  C   UNL     1       2.322  -4.795   0.325  1.00  0.00           C  
HETATM   37  C   UNL     1       2.077  -2.880   1.741  1.00  0.00           C  
HETATM   38  C   UNL     1       3.648  -4.902   0.698  1.00  0.00           C  
HETATM   39  C   UNL     1       3.404  -2.986   2.113  1.00  0.00           C  
HETATM   40  C   UNL     1       4.189  -3.998   1.594  1.00  0.00           C  
HETATM   41  N   UNL     1       5.610  -4.112   1.993  1.00  0.00           N1+
HETATM   42  O   UNL     1       6.303  -5.002   1.532  1.00  0.00           O  
HETATM   43  O   UNL     1       6.086  -3.316   2.783  1.00  0.00           O1-
HETATM   44  N   UNL     1      -6.781  -0.273  -0.280  1.00  0.00           N  
HETATM   45  CA  UNL     1      -6.102  -1.388   0.386  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.332  -2.198  -0.658  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.670  -3.402   0.014  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.810  -4.147  -1.010  1.00  0.00           C  
HETATM   49  N   UNL     1      -2.393  -4.104  -0.559  1.00  0.00           N  
HETATM   50  C   UNL     1      -5.142  -0.851   1.417  1.00  0.00           C  
HETATM   51  O   UNL     1      -4.073  -1.388   1.583  1.00  0.00           O  
HETATM   52  OXT UNL     1      -5.476   0.222   2.149  1.00  0.00           O  
HETATM   53  H   UNL     1      -4.131   0.051   0.109  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.416   2.788  -1.231  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.216   3.890  -1.310  1.00  0.00           H  
HETATM   56  H   UNL     1       0.110   4.079  -0.860  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.008   2.459   1.412  1.00  0.00           H  
HETATM   58  H   UNL     1       0.760   2.484   1.208  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.992   4.978   1.326  1.00  0.00           H  
HETATM   60  H   UNL     1       2.028   4.559   1.468  1.00  0.00           H  
HETATM   61  H   UNL     1       1.137   5.225   0.078  1.00  0.00           H  
HETATM   62  H   UNL     1       2.106   7.037   1.465  1.00  0.00           H  
HETATM   63  H   UNL     1       0.328   7.094   1.493  1.00  0.00           H  
HETATM   64  H   UNL     1       2.102   5.818   3.625  1.00  0.00           H  
HETATM   65  H   UNL     1       1.263   7.381   3.772  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.027   5.571   4.872  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.918   6.237   3.482  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.996   3.759   3.485  1.00  0.00           H  
HETATM   69  H   UNL     1       0.783   3.703   3.457  1.00  0.00           H  
HETATM   70  H   UNL     1       0.716   0.951   0.513  1.00  0.00           H  
HETATM   71  H   UNL     1       1.234  -0.046  -2.257  1.00  0.00           H  
HETATM   72  H   UNL     1       3.104  -0.197   0.151  1.00  0.00           H  
HETATM   73  H   UNL     1       3.376  -1.037  -1.394  1.00  0.00           H  
HETATM   74  H   UNL     1       3.272   2.220   0.297  1.00  0.00           H  
HETATM   75  H   UNL     1       3.933   0.202  -3.402  1.00  0.00           H  
HETATM   76  H   UNL     1       4.271   4.267  -0.639  1.00  0.00           H  
HETATM   77  H   UNL     1       4.933   2.247  -4.341  1.00  0.00           H  
HETATM   78  H   UNL     1       0.762  -2.329  -2.579  1.00  0.00           H  
HETATM   79  H   UNL     1       0.518  -4.549  -1.482  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.323  -2.737   0.826  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.472  -4.511   0.853  1.00  0.00           H  
HETATM   82  H   UNL     1       1.899  -5.501  -0.375  1.00  0.00           H  
HETATM   83  H   UNL     1       1.464  -2.089   2.146  1.00  0.00           H  
HETATM   84  H   UNL     1       4.263  -5.690   0.289  1.00  0.00           H  
HETATM   85  H   UNL     1       3.828  -2.278   2.810  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.734  -0.317  -0.452  1.00  0.00           H  
HETATM   87  HA  UNL     1      -6.841  -2.027   0.871  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.020  -2.546  -1.428  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.566  -1.570  -1.113  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.041  -3.059   0.836  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.438  -4.072   0.400  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.144  -5.182  -1.085  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.896  -3.661  -1.982  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.145  -4.318   0.354  1.00  0.00           H  
HETATM   95  HXT UNL     1      -4.828   0.530   2.798  1.00  0.00           H  
CONECT    1    2    2    3   44                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4   53                                       
CONECT    4    3    3    5   54                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8   55    5                                            
CONECT    8    7    9   11   56                                       
CONECT    9    8   10   10   18                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   57   58                                       
CONECT   12   11   13   17   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   16   64   65                                       
CONECT   16   15   17   66   67                                       
CONECT   17   12   16   68   69                                       
CONECT   18   19   70    9                                            
CONECT   19   18   20   22   71                                       
CONECT   20   19   21   21   30                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   72   73                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   26   74                                       
CONECT   25   23   27   27   75                                       
CONECT   26   24   28   28   76                                       
CONECT   27   25   25   28   77                                       
CONECT   28   26   26   27   29                                       
CONECT   29   28                                                      
CONECT   30   31   78   20                                            
CONECT   31   30   32   34   79                                       
CONECT   32   31   33   33   49                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   80   81                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35   38   82                                       
CONECT   37   35   39   39   83                                       
CONECT   38   36   40   40   84                                       
CONECT   39   37   37   40   85                                       
CONECT   40   38   38   39   41                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41                                                      
CONECT   44   45   86    1                                            
CONECT   45   44   46   50   87                                       
CONECT   46   45   47   88   89                                       
CONECT   47   46   48   90   91                                       
CONECT   48   47   49   92   93                                       
CONECT   49   48   94   32                                            
CONECT   50   45   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   95                                                 
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   52                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
