COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.993   2.667   1.826  1.00  0.00           C  
HETATM    2  C   UNL     1       2.703   2.258   1.110  1.00  0.00           C  
HETATM    3  C   UNL     1       2.671   0.734   0.963  1.00  0.00           C  
HETATM    4  C   UNL     1       3.924   0.278   0.209  1.00  0.00           C  
HETATM    5  C   UNL     1       5.167   0.763   0.960  1.00  0.00           C  
HETATM    6  C   UNL     1       6.422   0.364   0.181  1.00  0.00           C  
HETATM    7  C   UNL     1       1.074   3.953   1.752  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.115   4.407   2.558  1.00  0.00           C  
HETATM    9  N   UNL     1       1.547   2.699   1.894  1.00  0.00           N  
HETATM   10  O   UNL     1       4.056   4.092   1.916  1.00  0.00           O  
HETATM   11  O   UNL     1       1.506   0.348   0.231  1.00  0.00           O  
HETATM   12  O   UNL     1       3.941  -1.149   0.130  1.00  0.00           O  
HETATM   13  O   UNL     1       5.118   2.186   1.089  1.00  0.00           O  
HETATM   14  O   UNL     1       7.583   0.725   0.932  1.00  0.00           O  
HETATM   15  O   UNL     1       1.607   4.717   0.974  1.00  0.00           O  
HETATM   16  C   UNL     1       0.445  -0.152   1.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.835  -0.256   0.214  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.951  -0.849   1.080  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.496  -2.209   1.619  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.191  -2.029   2.398  1.00  0.00           C  
HETATM   21  C   UNL     1       0.302  -3.392   2.889  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.219   1.045  -0.235  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.130  -1.018   0.290  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.282  -3.108   0.529  1.00  0.00           O  
HETATM   25  O   UNL     1       0.795  -1.445   1.544  1.00  0.00           O  
HETATM   26  O   UNL     1       1.456  -3.212   3.713  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.298   1.168  -1.657  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.871   2.541  -2.019  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.924   3.632  -1.509  1.00  0.00           C  
HETATM   30  C   UNL     1       0.467   3.406  -2.109  1.00  0.00           C  
HETATM   31  C   UNL     1       0.950   2.000  -1.743  1.00  0.00           C  
HETATM   32  C   UNL     1       2.313   1.744  -2.389  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.154   2.699  -1.409  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.414   4.914  -1.906  1.00  0.00           O  
HETATM   35  O   UNL     1       0.400   3.533  -3.531  1.00  0.00           O  
HETATM   36  O   UNL     1       0.009   1.036  -2.220  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.534   0.457   1.429  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.347  -0.902   1.030  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.522  -1.341   0.152  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.303  -2.715  -0.308  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.622  -0.407  -1.058  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.760  -0.764  -1.845  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.773   1.035  -0.565  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.990   1.163   0.172  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.588   1.382   0.341  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.762   2.801   0.886  1.00  0.00           C  
HETATM   47  O   UNL     1      -3.603   3.168   1.638  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.667  -3.752   0.472  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.175  -3.548   1.554  1.00  0.00           O  
HETATM   50  C   UNL     1      -5.442  -5.166   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       4.466  -1.656  -1.099  1.00  0.00           C  
HETATM   52  C   UNL     1       4.786  -3.145  -0.941  1.00  0.00           C  
HETATM   53  C   UNL     1       3.493  -3.908  -0.638  1.00  0.00           C  
HETATM   54  C   UNL     1       2.484  -3.646  -1.760  1.00  0.00           C  
HETATM   55  C   UNL     1       2.253  -2.138  -1.886  1.00  0.00           C  
HETATM   56  C   UNL     1       1.292  -1.864  -3.045  1.00  0.00           C  
HETATM   57  O   UNL     1       5.709  -3.324   0.136  1.00  0.00           O  
HETATM   58  O   UNL     1       3.770  -5.308  -0.561  1.00  0.00           O  
HETATM   59  O   UNL     1       2.997  -4.155  -2.992  1.00  0.00           O  
HETATM   60  O   UNL     1       3.499  -1.486  -2.137  1.00  0.00           O  
HETATM   61  H   UNL     1       4.004   2.238   2.828  1.00  0.00           H  
HETATM   62  H   UNL     1       2.672   2.720   0.123  1.00  0.00           H  
HETATM   63  H   UNL     1       2.652   0.273   1.951  1.00  0.00           H  
HETATM   64  H   UNL     1       3.918   0.700  -0.796  1.00  0.00           H  
HETATM   65  H   UNL     1       5.193   0.309   1.950  1.00  0.00           H  
HETATM   66  H   UNL     1       6.418  -0.713   0.014  1.00  0.00           H  
HETATM   67  H   UNL     1       6.434   0.881  -0.778  1.00  0.00           H  
HETATM   68  H   UNL     1       0.227   4.837   3.499  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.671   5.157   1.996  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.762   3.553   2.763  1.00  0.00           H  
HETATM   71  H   UNL     1       1.121   2.088   2.516  1.00  0.00           H  
HETATM   72  H   UNL     1       4.849   4.423   2.360  1.00  0.00           H  
HETATM   73  H   UNL     1       8.417   0.501   0.498  1.00  0.00           H  
HETATM   74  H   UNL     1       0.280   0.527   1.885  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.659  -0.902  -0.645  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.162  -0.178   1.913  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.263  -2.613   2.281  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.364  -1.375   3.253  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.485  -3.876   3.467  1.00  0.00           H  
HETATM   80  H   UNL     1       0.561  -4.015   2.033  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.992  -3.990   0.798  1.00  0.00           H  
HETATM   82  H   UNL     1       1.823  -4.037   4.061  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.946   0.388  -2.054  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.969   2.621  -3.101  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.864   3.584  -0.421  1.00  0.00           H  
HETATM   86  H   UNL     1       1.161   4.145  -1.708  1.00  0.00           H  
HETATM   87  H   UNL     1       1.039   1.916  -0.660  1.00  0.00           H  
HETATM   88  H   UNL     1       3.035   2.470  -2.014  1.00  0.00           H  
HETATM   89  H   UNL     1       2.649   0.737  -2.143  1.00  0.00           H  
HETATM   90  H   UNL     1       2.227   1.844  -3.471  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.804   2.038  -1.683  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.295   5.121  -1.566  1.00  0.00           H  
HETATM   93  H   UNL     1       1.248   3.402  -3.977  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.297  -1.537   1.914  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.446  -1.292   0.728  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.897  -2.878  -1.173  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.719  -0.494  -1.662  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.885  -0.213  -2.629  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.790   1.712  -1.418  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.151   2.053   0.515  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.663   1.324  -0.232  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.892   3.496   0.057  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.979  -5.150  -0.987  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.786  -5.683   0.701  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.398  -5.687  -0.056  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.639   2.838   1.532  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.643   4.058   2.014  1.00  0.00           H  
HETATM  108  H   UNL     1       5.376  -1.114  -1.356  1.00  0.00           H  
HETATM  109  H   UNL     1       5.224  -3.524  -1.864  1.00  0.00           H  
HETATM  110  H   UNL     1       3.080  -3.564   0.311  1.00  0.00           H  
HETATM  111  H   UNL     1       1.541  -4.141  -1.525  1.00  0.00           H  
HETATM  112  H   UNL     1       1.823  -1.757  -0.960  1.00  0.00           H  
HETATM  113  H   UNL     1       0.341  -2.363  -2.854  1.00  0.00           H  
HETATM  114  H   UNL     1       1.127  -0.791  -3.135  1.00  0.00           H  
HETATM  115  H   UNL     1       1.722  -2.245  -3.971  1.00  0.00           H  
HETATM  116  H   UNL     1       6.550  -2.863   0.013  1.00  0.00           H  
HETATM  117  H   UNL     1       4.408  -5.545   0.126  1.00  0.00           H  
HETATM  118  H   UNL     1       2.409  -4.024  -3.748  1.00  0.00           H  
CONECT    1    2   10   13   61                                       
CONECT    2    1    3    9   62                                       
CONECT    3    2    4   11   63                                       
CONECT    4    3    5   12   64                                       
CONECT    5    4    6   13   65                                       
CONECT    6    5   14   66   67                                       
CONECT    7    8    9   15   15                                       
CONECT    8    7   68   69   70                                       
CONECT    9    2    7   71                                            
CONECT   10    1   72                                                 
CONECT   11    3   16                                                 
CONECT   12    4   51                                                 
CONECT   13    1    5                                                 
CONECT   14    6   73                                                 
CONECT   15    7    7                                                 
CONECT   16   17   25   74   11                                       
CONECT   17   16   18   22   75                                       
CONECT   18   17   19   23   76                                       
CONECT   19   18   20   24   77                                       
CONECT   20   19   21   25   78                                       
CONECT   21   20   26   79   80                                       
CONECT   22   17   27                                                 
CONECT   23   18   38                                                 
CONECT   24   19   81                                                 
CONECT   25   16   20                                                 
CONECT   26   21   82                                                 
CONECT   27   28   36   83   22                                       
CONECT   28   27   29   33   84                                       
CONECT   29   28   30   34   85                                       
CONECT   30   29   31   35   86                                       
CONECT   31   30   32   36   87                                       
CONECT   32   31   88   89   90                                       
CONECT   33   28   91                                                 
CONECT   34   29   92                                                 
CONECT   35   30   93                                                 
CONECT   36   27   31                                                 
CONECT   37   45   38                                                 
CONECT   38   37   39   94   23                                       
CONECT   39   38   41   95   40                                       
CONECT   40   39   96   48                                            
CONECT   41   39   43   42   97                                       
CONECT   42   41   98                                                 
CONECT   43   41   44   99   45                                       
CONECT   44   43  100                                                 
CONECT   45   37   43   46  101                                       
CONECT   46   45   47  102  106                                       
CONECT   47   46  107                                                 
CONECT   48   40   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48  103  104  105                                       
CONECT   51   52   60  108   12                                       
CONECT   52   51   53   57  109                                       
CONECT   53   52   54   58  110                                       
CONECT   54   53   55   59  111                                       
CONECT   55   54   56   60  112                                       
CONECT   56   55  113  114  115                                       
CONECT   57   52  116                                                 
CONECT   58   53  117                                                 
CONECT   59   54  118                                                 
CONECT   60   51   55                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   14                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   24                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   56                                                      
CONECT  114   56                                                      
CONECT  115   56                                                      
CONECT  116   57                                                      
CONECT  117   58                                                      
CONECT  118   59                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
