COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -21.682  38.234  22.693  1.00  0.00           C  
HETATM    2  C   UNL     1     -21.840  39.739  22.486  1.00  0.00           C  
HETATM    3  O   UNL     1     -21.030  40.438  23.435  1.00  0.00           O  
HETATM    4  C   UNL     1     -23.308  39.826  22.899  1.00  0.00           C  
HETATM    5  O   UNL     1     -23.431  39.651  24.313  1.00  0.00           O  
HETATM    6  C   UNL     1     -23.889  38.608  22.175  1.00  0.00           C  
HETATM    7  O   UNL     1     -22.786  37.714  21.935  1.00  0.00           O  
HETATM    8  C   UNL     1     -24.448  39.071  20.829  1.00  0.00           C  
HETATM    9  O   UNL     1     -25.552  39.954  21.037  1.00  0.00           O  
HETATM   10  C   UNL     1     -31.556  49.952  12.997  1.00  0.00           C  
HETATM   11  F   UNL     1     -30.524  49.089  13.089  1.00  0.00           F  
HETATM   12  P   UNL     1     -25.809  41.188  20.036  1.00  0.00           P  
HETATM   13  C   UNL     1     -31.602  51.049  13.853  1.00  0.00           C  
HETATM   14  F   UNL     1     -32.750  53.053  14.507  1.00  0.00           F  
HETATM   15  O   UNL     1     -26.686  42.172  20.708  1.00  0.00           O  
HETATM   16  C   UNL     1     -32.544  49.748  12.040  1.00  0.00           C  
HETATM   17  F   UNL     1     -32.471  48.693  11.201  1.00  0.00           F  
HETATM   18  O   UNL     1     -24.511  41.653  19.499  1.00  0.00           O  
HETATM   19  C   UNL     1     -32.661  51.949  13.737  1.00  0.00           C  
HETATM   20  F   UNL     1     -34.675  52.623  12.676  1.00  0.00           F  
HETATM   21  C   UNL     1     -33.600  50.647  11.932  1.00  0.00           C  
HETATM   22  F   UNL     1     -34.565  50.453  11.009  1.00  0.00           F  
HETATM   23  C   UNL     1     -33.654  51.746  12.782  1.00  0.00           C  
HETATM   24  N   UNL     1     -20.392  37.723  22.176  1.00  0.00           N  
HETATM   25  C   UNL     1     -19.730  36.676  22.659  1.00  0.00           C  
HETATM   26  N   UNL     1     -19.996  35.813  23.729  1.00  0.00           N  
HETATM   27  C   UNL     1     -19.098  34.693  24.091  1.00  0.00           C  
HETATM   28  N   UNL     1     -17.934  34.581  23.183  1.00  0.00           N  
HETATM   29  C   UNL     1     -17.708  35.475  22.128  1.00  0.00           C  
HETATM   30  N   UNL     1     -16.641  35.317  21.351  1.00  0.00           N  
HETATM   31  C   UNL     1     -18.591  36.519  21.880  1.00  0.00           C  
HETATM   32  N   UNL     1     -18.607  37.483  20.964  1.00  0.00           N  
HETATM   33  C   UNL     1     -19.705  38.213  21.146  1.00  0.00           C  
HETATM   34  O   UNL     1     -26.623  40.516  18.820  1.00  0.00           O  
HETATM   35  P   UNL     1     -28.202  40.227  18.952  1.00  0.00           P  
HETATM   36  O   UNL     1     -28.668  39.529  17.734  1.00  0.00           O  
HETATM   37  O   UNL     1     -28.472  39.606  20.269  1.00  0.00           O  
HETATM   38  O   UNL     1     -28.844  41.703  18.972  1.00  0.00           O  
HETATM   39  C   UNL     1     -28.882  42.482  17.773  1.00  0.00           C  
HETATM   40  C   UNL     1     -29.364  43.906  18.054  1.00  0.00           C  
HETATM   41  O   UNL     1     -28.591  44.471  19.116  1.00  0.00           O  
HETATM   42  C   UNL     1     -29.238  44.771  16.799  1.00  0.00           C  
HETATM   43  O   UNL     1     -30.137  44.285  15.799  1.00  0.00           O  
HETATM   44  C   UNL     1     -29.551  46.241  17.090  1.00  0.00           C  
HETATM   45  O   UNL     1     -28.696  46.719  18.132  1.00  0.00           O  
HETATM   46  C   UNL     1     -29.344  47.084  15.831  1.00  0.00           C  
HETATM   47  N   UNL     1     -29.425  48.532  16.127  1.00  0.00           N  
HETATM   48  C   UNL     1     -30.657  49.172  16.278  1.00  0.00           C  
HETATM   49  N   UNL     1     -31.851  48.447  16.202  1.00  0.00           N  
HETATM   50  C   UNL     1     -33.081  49.078  16.426  1.00  0.00           C  
HETATM   51  O   UNL     1     -34.118  48.420  16.353  1.00  0.00           O  
HETATM   52  N   UNL     1     -33.138  50.440  16.746  1.00  0.00           N  
HETATM   53  C   UNL     1     -31.982  51.230  16.813  1.00  0.00           C  
HETATM   54  O   UNL     1     -32.077  52.409  17.148  1.00  0.00           O  
HETATM   55  C   UNL     1     -30.665  50.702  16.237  1.00  0.00           C  
HETATM   56  N   UNL     1     -29.496  51.258  16.940  1.00  0.00           N  
HETATM   57  C   UNL     1     -28.268  49.270  16.400  1.00  0.00           C  
HETATM   58  C   UNL     1     -28.346  50.627  16.699  1.00  0.00           C  
HETATM   59  C   UNL     1     -27.032  48.636  16.339  1.00  0.00           C  
HETATM   60  C   UNL     1     -27.167  51.336  16.908  1.00  0.00           C  
HETATM   61  C   UNL     1     -25.929  50.708  16.845  1.00  0.00           C  
HETATM   62  C   UNL     1     -24.651  51.517  17.074  1.00  0.00           C  
HETATM   63  C   UNL     1     -30.422  51.230  14.820  1.00  0.00           C  
HETATM   64  C   UNL     1     -30.146  52.703  15.120  1.00  0.00           C  
HETATM   65  C   UNL     1     -29.315  52.618  16.402  1.00  0.00           C  
HETATM   66  O   UNL     1     -29.786  53.582  17.347  1.00  0.00           O  
HETATM   67  C   UNL     1     -24.636  48.693  16.565  1.00  0.00           C  
HETATM   68  C   UNL     1     -25.862  49.348  16.567  1.00  0.00           C  
HETATM   69  H   UNL     1     -21.681  37.942  23.754  1.00  0.00           H  
HETATM   70  H   UNL     1     -21.571  40.145  21.499  1.00  0.00           H  
HETATM   71  H   UNL     1     -21.128  41.374  23.307  1.00  0.00           H  
HETATM   72  H   UNL     1     -23.795  40.783  22.658  1.00  0.00           H  
HETATM   73  H   UNL     1     -24.346  39.707  24.561  1.00  0.00           H  
HETATM   74  H   UNL     1     -24.684  38.122  22.760  1.00  0.00           H  
HETATM   75  H   UNL     1     -23.661  39.598  20.270  1.00  0.00           H  
HETATM   76  H   UNL     1     -24.786  38.196  20.255  1.00  0.00           H  
HETATM   77  H   UNL     1     -26.268  43.025  20.703  1.00  0.00           H  
HETATM   78  H   UNL     1     -19.273  34.030  24.926  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.118  34.522  21.659  1.00  0.00           H  
HETATM   80  H   UNL     1     -16.935  35.176  20.406  1.00  0.00           H  
HETATM   81  H   UNL     1     -19.993  39.068  20.552  1.00  0.00           H  
HETATM   82  H   UNL     1     -28.939  38.788  20.144  1.00  0.00           H  
HETATM   83  H   UNL     1     -27.870  42.526  17.345  1.00  0.00           H  
HETATM   84  H   UNL     1     -29.572  42.006  17.061  1.00  0.00           H  
HETATM   85  H   UNL     1     -30.423  43.873  18.349  1.00  0.00           H  
HETATM   86  H   UNL     1     -28.891  45.356  19.290  1.00  0.00           H  
HETATM   87  H   UNL     1     -28.198  44.709  16.446  1.00  0.00           H  
HETATM   88  H   UNL     1     -30.061  44.820  15.018  1.00  0.00           H  
HETATM   89  H   UNL     1     -30.600  46.325  17.409  1.00  0.00           H  
HETATM   90  H   UNL     1     -28.893  47.631  18.310  1.00  0.00           H  
HETATM   91  H   UNL     1     -28.350  46.862  15.416  1.00  0.00           H  
HETATM   92  H   UNL     1     -30.125  46.828  15.101  1.00  0.00           H  
HETATM   93  H   UNL     1     -34.026  50.860  16.932  1.00  0.00           H  
HETATM   94  H   UNL     1     -26.982  47.581  16.112  1.00  0.00           H  
HETATM   95  H   UNL     1     -27.215  52.393  17.123  1.00  0.00           H  
HETATM   96  H   UNL     1     -24.395  51.504  18.144  1.00  0.00           H  
HETATM   97  H   UNL     1     -23.828  51.074  16.495  1.00  0.00           H  
HETATM   98  H   UNL     1     -24.811  52.555  16.748  1.00  0.00           H  
HETATM   99  H   UNL     1     -29.621  50.692  14.292  1.00  0.00           H  
HETATM  100  H   UNL     1     -29.596  53.194  14.304  1.00  0.00           H  
HETATM  101  H   UNL     1     -31.074  53.275  15.267  1.00  0.00           H  
HETATM  102  H   UNL     1     -28.253  52.824  16.201  1.00  0.00           H  
HETATM  103  H   UNL     1     -30.706  53.427  17.526  1.00  0.00           H  
HETATM  104  H   UNL     1     -24.210  48.713  15.551  1.00  0.00           H  
HETATM  105  H   UNL     1     -23.950  49.198  17.261  1.00  0.00           H  
HETATM  106  H   UNL     1     -24.778  47.649  16.882  1.00  0.00           H  
CONECT    1    7   24    2   69                                       
CONECT    2    1    4    3   70                                       
CONECT    3    2   71                                                 
CONECT    4    2    6    5   72                                       
CONECT    5    4   73                                                 
CONECT    6    4    8    7   74                                       
CONECT    7    1    6                                                 
CONECT    8    6    9   75   76                                       
CONECT    9    8   12                                                 
CONECT   10   16   16   11   13                                       
CONECT   11   10                                                      
CONECT   12    9   34   18   18                                       
CONECT   12   15                                                      
CONECT   13   10   19   19   63                                       
CONECT   14   19                                                      
CONECT   15   12   77                                                 
CONECT   16   10   10   17   21                                       
CONECT   17   16                                                      
CONECT   18   12   12                                                 
CONECT   19   13   13   14   23                                       
CONECT   20   23                                                      
CONECT   21   16   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   19   20   21   21                                       
CONECT   24    1   33   25                                            
CONECT   25   24   31   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   28   78                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   31   31                                       
CONECT   30   29   79   80                                            
CONECT   31   25   29   29   32                                       
CONECT   32   31   33   33                                            
CONECT   33   24   32   32   81                                       
CONECT   34   12   35                                                 
CONECT   35   34   36   36   38                                       
CONECT   35   37                                                      
CONECT   36   35   35                                                 
CONECT   37   35   82                                                 
CONECT   38   35   39                                                 
CONECT   39   38   40   83   84                                       
CONECT   40   39   42   41   85                                       
CONECT   41   40   86                                                 
CONECT   42   40   43   44   87                                       
CONECT   43   42   88                                                 
CONECT   44   42   46   45   89                                       
CONECT   45   44   90                                                 
CONECT   46   44   47   91   92                                       
CONECT   47   46   48   57                                            
CONECT   48   47   49   49   55                                       
CONECT   49   48   48   50                                            
CONECT   50   49   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   53   93                                            
CONECT   53   52   55   54   54                                       
CONECT   54   53   53                                                 
CONECT   55   48   53   63   56                                       
CONECT   56   55   65   58                                            
CONECT   57   47   59   59   58                                       
CONECT   58   56   57   60   60                                       
CONECT   59   57   57   68   94                                       
CONECT   60   58   58   61   95                                       
CONECT   61   60   68   68   62                                       
CONECT   62   61   96   97   98                                       
CONECT   63   13   55   64   99                                       
CONECT   64   63   65  100  101                                       
CONECT   65   56   64   66  102                                       
CONECT   66   65  103                                                 
CONECT   67   68  104  105  106                                       
CONECT   68   59   61   61   67                                       
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77   15                                                      
CONECT   78   27                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   33                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   52                                                      
CONECT   94   59                                                      
CONECT   95   60                                                      
CONECT   96   62                                                      
CONECT   97   62                                                      
CONECT   98   62                                                      
CONECT   99   63                                                      
CONECT  100   64                                                      
CONECT  101   64                                                      
CONECT  102   65                                                      
CONECT  103   66                                                      
CONECT  104   67                                                      
CONECT  105   67                                                      
CONECT  106   67                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
