COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.773  -2.447   1.195  1.00  0.00           C  
HETATM    2  O   UNL     1     -11.070  -3.173   2.086  1.00  0.00           O  
HETATM    3  C   UNL     1     -11.199  -1.209   0.635  1.00  0.00           C  
HETATM    4  O   UNL     1     -12.878  -2.814   0.850  1.00  0.00           O  
HETATM    5  C   UNL     1     -10.255  -1.278  -0.319  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.878  -2.663  -1.791  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.873  -2.586  -0.886  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.134   1.417  -0.663  1.00  0.00           O  
HETATM    9  C   UNL     1     -11.670   0.133   1.132  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.760   0.090  -2.225  1.00  0.00           O  
HETATM   11  C   UNL     1      -9.587  -0.020  -0.811  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.115   2.118  -1.346  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.094  -0.073  -0.482  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.864   0.692   0.089  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.449   1.234  -0.862  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.173   0.407  -0.429  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.580   2.701  -1.053  1.00  0.00           C  
HETATM   18  O   UNL     1       1.516   1.612  -0.913  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.391   3.039  -0.152  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.319   1.956  -0.295  1.00  0.00           C  
HETATM   21  O   UNL     1      16.441  -0.582  -2.203  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.129   2.294   0.606  1.00  0.00           C  
HETATM   23  O   UNL     1      15.290  -2.483  -2.143  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.024   1.296   0.374  1.00  0.00           C  
HETATM   25  O   UNL     1     -10.455  -3.593  -0.535  1.00  0.00           O  
HETATM   26  C   UNL     1       0.266   1.408   1.145  1.00  0.00           C  
HETATM   27  C   UNL     1       1.416   0.859   0.297  1.00  0.00           C  
HETATM   28  C   UNL     1       2.725   0.973   1.079  1.00  0.00           C  
HETATM   29  C   UNL     1       3.853   0.312   0.284  1.00  0.00           C  
HETATM   30  C   UNL     1       5.163   0.426   1.067  1.00  0.00           C  
HETATM   31  C   UNL     1       6.264  -0.342   0.332  1.00  0.00           C  
HETATM   32  C   UNL     1       7.541  -0.334   1.175  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.114   2.635  -2.509  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.857   3.105   1.304  1.00  0.00           C  
HETATM   35  C   UNL     1       0.158   0.601   2.440  1.00  0.00           C  
HETATM   36  C   UNL     1       5.561   1.898   1.185  1.00  0.00           C  
HETATM   37  C   UNL     1       7.302  -1.111   2.471  1.00  0.00           C  
HETATM   38  C   UNL     1       8.676  -0.993   0.388  1.00  0.00           C  
HETATM   39  C   UNL     1       9.981  -0.873   1.178  1.00  0.00           C  
HETATM   40  C   UNL     1      11.098  -1.522   0.403  1.00  0.00           C  
HETATM   41  C   UNL     1      12.163  -0.804   0.040  1.00  0.00           C  
HETATM   42  C   UNL     1      13.241  -1.430  -0.726  1.00  0.00           C  
HETATM   43  C   UNL     1      14.320  -0.702  -1.094  1.00  0.00           C  
HETATM   44  C   UNL     1      12.255   0.651   0.420  1.00  0.00           C  
HETATM   45  C   UNL     1      13.024   0.788   1.736  1.00  0.00           C  
HETATM   46  C   UNL     1      15.365  -1.308  -1.837  1.00  0.00           C  
HETATM   47  H   UNL     1     -11.488  -3.977   2.425  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.664  -3.542  -2.134  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.376  -0.010   1.950  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.816   0.710   1.487  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.160   0.671   0.320  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.384  -0.647  -2.726  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.036   0.845  -0.322  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.963  -0.246   0.586  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.628  -0.885  -1.041  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.180   0.661   1.002  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.344   3.472  -0.951  1.00  0.00           H  
HETATM   58  H   UNL     1       1.687   2.555  -0.777  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.975   4.003  -0.444  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.987   1.909  -1.332  1.00  0.00           H  
HETATM   61  H   UNL     1      17.100  -1.081  -2.706  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.769   3.296   0.373  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.442   2.254   1.650  1.00  0.00           H  
HETATM   64  H   UNL     1       0.457   2.454   1.383  1.00  0.00           H  
HETATM   65  H   UNL     1       1.224  -0.187   0.059  1.00  0.00           H  
HETATM   66  H   UNL     1       2.962   2.024   1.240  1.00  0.00           H  
HETATM   67  H   UNL     1       2.618   0.473   2.042  1.00  0.00           H  
HETATM   68  H   UNL     1       3.616  -0.740   0.123  1.00  0.00           H  
HETATM   69  H   UNL     1       3.960   0.812  -0.678  1.00  0.00           H  
HETATM   70  H   UNL     1       5.029   0.004   2.063  1.00  0.00           H  
HETATM   71  H   UNL     1       5.943  -1.371   0.169  1.00  0.00           H  
HETATM   72  H   UNL     1       6.460   0.134  -0.629  1.00  0.00           H  
HETATM   73  H   UNL     1       7.813   0.695   1.413  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.961   2.394  -3.151  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.698   3.599  -2.801  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.350   1.864  -2.611  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.010   3.345   1.946  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.621   3.876   1.406  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.273   2.141   1.597  1.00  0.00           H  
HETATM   80  H   UNL     1       1.091   0.682   2.998  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.661   0.992   3.044  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.034  -0.445   2.202  1.00  0.00           H  
HETATM   83  H   UNL     1       4.776   2.445   1.708  1.00  0.00           H  
HETATM   84  H   UNL     1       6.494   1.979   1.742  1.00  0.00           H  
HETATM   85  H   UNL     1       5.695   2.320   0.189  1.00  0.00           H  
HETATM   86  H   UNL     1       7.030  -2.139   2.234  1.00  0.00           H  
HETATM   87  H   UNL     1       8.211  -1.105   3.072  1.00  0.00           H  
HETATM   88  H   UNL     1       6.493  -0.642   3.032  1.00  0.00           H  
HETATM   89  H   UNL     1       8.443  -2.045   0.227  1.00  0.00           H  
HETATM   90  H   UNL     1       8.787  -0.494  -0.575  1.00  0.00           H  
HETATM   91  H   UNL     1      10.213   0.179   1.339  1.00  0.00           H  
HETATM   92  H   UNL     1       9.869  -1.372   2.141  1.00  0.00           H  
HETATM   93  H   UNL     1      11.038  -2.568   0.141  1.00  0.00           H  
HETATM   94  H   UNL     1      13.175  -2.473  -0.998  1.00  0.00           H  
HETATM   95  H   UNL     1      14.386   0.341  -0.822  1.00  0.00           H  
HETATM   96  H   UNL     1      12.778   1.199  -0.364  1.00  0.00           H  
HETATM   97  H   UNL     1      11.252   1.059   0.541  1.00  0.00           H  
HETATM   98  H   UNL     1      13.091   1.840   2.010  1.00  0.00           H  
HETATM   99  H   UNL     1      12.502   0.240   2.520  1.00  0.00           H  
HETATM  100  H   UNL     1      14.027   0.380   1.614  1.00  0.00           H  
CONECT    1    3    2    4    4                                       
CONECT    2    1   47                                                 
CONECT    3    1    9    5    5                                       
CONECT    4    1    1                                                 
CONECT    5    3    3   11    7                                       
CONECT    6    7   48                                                 
CONECT    7    5    6   25   25                                       
CONECT    8   15   17                                                 
CONECT    9    3   49   50   51                                       
CONECT   10   11   52                                                 
CONECT   11    5   10   13   53                                       
CONECT   12   15   15                                                 
CONECT   13   11   15   54   55                                       
CONECT   14   20   56                                                 
CONECT   15    8   13   12   12                                       
CONECT   16   24   24                                                 
CONECT   17    8   19   33   57                                       
CONECT   18   27   58                                                 
CONECT   19   17   20   34   59                                       
CONECT   20   14   19   22   60                                       
CONECT   21   46   61                                                 
CONECT   22   20   24   62   63                                       
CONECT   23   46   46                                                 
CONECT   24   16   16   22   26                                       
CONECT   25    7    7                                                 
CONECT   26   24   27   35   64                                       
CONECT   27   18   26   28   65                                       
CONECT   28   27   29   66   67                                       
CONECT   29   28   30   68   69                                       
CONECT   30   29   31   36   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   37   38   73                                       
CONECT   33   17   74   75   76                                       
CONECT   34   19   77   78   79                                       
CONECT   35   26   80   81   82                                       
CONECT   36   30   83   84   85                                       
CONECT   37   32   86   87   88                                       
CONECT   38   32   39   89   90                                       
CONECT   39   38   40   91   92                                       
CONECT   40   39   41   41   93                                       
CONECT   41   40   40   42   44                                       
CONECT   42   41   43   43   94                                       
CONECT   43   42   42   46   95                                       
CONECT   44   41   45   96   97                                       
CONECT   45   44   98   99  100                                       
CONECT   46   43   21   23   23                                       
CONECT   47    2                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
