COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.940   0.371  -0.333  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.688   0.925  -0.026  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.126  -0.466   0.320  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.499  -0.198  -0.367  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.434  -2.443  -0.377  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.987   1.784  -0.237  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.723   0.634   1.854  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.782   0.126   0.656  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.847   1.382  -0.252  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.732   0.684  -0.487  1.00  0.00           C  
HETATM   11  C   UNL     1       2.843   0.055  -0.207  1.00  0.00           C  
HETATM   12  C   UNL     1       7.622  -0.255  -0.078  1.00  0.00           C  
HETATM   13  C   UNL     1       7.535  -1.634  -0.679  1.00  0.00           C  
HETATM   14  C   UNL     1      10.002  -0.392  -0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      11.347   0.203   0.324  1.00  0.00           C  
HETATM   16  C   UNL     1      13.299  -0.982   1.268  1.00  0.00           C  
HETATM   17  C   UNL     1      12.184   0.306  -0.953  1.00  0.00           C  
HETATM   18  O   UNL     1     -14.843  -2.212  -0.461  1.00  0.00           O  
HETATM   19  O   UNL     1      15.475  -0.133   0.773  1.00  0.00           O  
HETATM   20  C   UNL     1      -9.882  -2.495  -0.017  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.173  -1.718  -0.007  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.327   0.430   0.390  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.655  -1.651   0.101  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.191   0.790  -0.589  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.467   1.241  -0.170  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.333   0.531  -0.408  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.078   1.084  -0.094  1.00  0.00           C  
HETATM   28  C   UNL     1       0.452   0.213  -0.270  1.00  0.00           C  
HETATM   29  C   UNL     1       1.703   0.766   0.037  1.00  0.00           C  
HETATM   30  C   UNL     1       2.756  -1.325  -0.808  1.00  0.00           C  
HETATM   31  C   UNL     1       4.095   0.608   0.101  1.00  0.00           C  
HETATM   32  C   UNL     1       5.233  -0.102  -0.144  1.00  0.00           C  
HETATM   33  C   UNL     1       6.488   0.453   0.165  1.00  0.00           C  
HETATM   34  C   UNL     1       8.887   0.304   0.233  1.00  0.00           C  
HETATM   35  C   UNL     1      12.044  -0.670   1.327  1.00  0.00           C  
HETATM   36  C   UNL     1      14.230  -0.523   0.190  1.00  0.00           C  
HETATM   37  C   UNL     1      13.624   0.664  -0.562  1.00  0.00           C  
HETATM   38  C   UNL     1      11.610   1.399  -1.857  1.00  0.00           C  
HETATM   39  C   UNL     1      12.165  -1.034  -1.690  1.00  0.00           C  
HETATM   40  C   UNL     1      11.232  -1.218   2.472  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.991   2.463   0.506  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.760   2.762   0.348  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.002  -0.617  -0.764  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.626   1.913   0.405  1.00  0.00           H  
HETATM   45  H   UNL     1     -14.412   0.356  -0.150  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.304  -0.178  -1.439  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.475  -2.568  -1.459  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.440  -3.424   0.100  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.157   2.237   0.306  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.705   1.641  -1.280  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.857   2.439  -0.182  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.592   1.289   1.907  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.966  -0.329   2.302  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.893   1.088   2.395  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.899   0.870   1.444  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.794  -0.304  -0.917  1.00  0.00           H  
HETATM   57  H   UNL     1       7.566  -1.560  -1.766  1.00  0.00           H  
HETATM   58  H   UNL     1       8.376  -2.235  -0.332  1.00  0.00           H  
HETATM   59  H   UNL     1       6.601  -2.105  -0.373  1.00  0.00           H  
HETATM   60  H   UNL     1       9.940  -1.380  -0.437  1.00  0.00           H  
HETATM   61  H   UNL     1      11.208   1.198   0.746  1.00  0.00           H  
HETATM   62  H   UNL     1      13.701  -1.612   2.048  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.004  -3.131  -0.206  1.00  0.00           H  
HETATM   64  H   UNL     1      15.922  -0.841   1.256  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.715  -2.934   0.966  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.941  -3.287  -0.763  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.057  -1.826  -0.261  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.715  -1.681   1.189  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.073   0.046  -1.377  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.404   2.230   0.260  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.395  -0.457  -0.839  1.00  0.00           H  
HETATM   72  H   UNL     1       0.389  -0.775  -0.701  1.00  0.00           H  
HETATM   73  H   UNL     1       1.765   1.755   0.468  1.00  0.00           H  
HETATM   74  H   UNL     1       2.787  -1.250  -1.895  1.00  0.00           H  
HETATM   75  H   UNL     1       3.596  -1.926  -0.461  1.00  0.00           H  
HETATM   76  H   UNL     1       1.822  -1.796  -0.502  1.00  0.00           H  
HETATM   77  H   UNL     1       4.157   1.597   0.531  1.00  0.00           H  
HETATM   78  H   UNL     1       5.171  -1.091  -0.574  1.00  0.00           H  
HETATM   79  H   UNL     1       6.550   1.441   0.595  1.00  0.00           H  
HETATM   80  H   UNL     1       8.949   1.293   0.663  1.00  0.00           H  
HETATM   81  H   UNL     1      14.400  -1.340  -0.512  1.00  0.00           H  
HETATM   82  H   UNL     1      14.209   0.868  -1.459  1.00  0.00           H  
HETATM   83  H   UNL     1      13.619   1.542   0.084  1.00  0.00           H  
HETATM   84  H   UNL     1      11.632   2.354  -1.332  1.00  0.00           H  
HETATM   85  H   UNL     1      12.208   1.470  -2.766  1.00  0.00           H  
HETATM   86  H   UNL     1      10.581   1.151  -2.118  1.00  0.00           H  
HETATM   87  H   UNL     1      11.138  -1.291  -1.950  1.00  0.00           H  
HETATM   88  H   UNL     1      12.762  -0.958  -2.599  1.00  0.00           H  
HETATM   89  H   UNL     1      12.581  -1.809  -1.046  1.00  0.00           H  
HETATM   90  H   UNL     1      11.870  -1.829   3.110  1.00  0.00           H  
HETATM   91  H   UNL     1      10.820  -0.393   3.053  1.00  0.00           H  
HETATM   92  H   UNL     1      10.418  -1.829   2.081  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.914   3.203  -0.291  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.886   2.659   1.097  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.112   2.526   1.147  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.682   3.501  -0.449  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.654   2.958   0.939  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.880   2.824   0.989  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.112  -0.664   0.999  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.860   1.580  -0.932  1.00  0.00           H  
CONECT    1    2   27   27   43                                       
CONECT    2   28   28    1   44                                       
CONECT    3   22    8   21   21                                       
CONECT    4   22   23   45   46                                       
CONECT    5   23   21   47   48                                       
CONECT    6   22   49   50   51                                       
CONECT    7   22   52   53   54                                       
CONECT    8   24    3   55   99                                       
CONECT    9   42   10   10   24                                       
CONECT   10   25    9    9   56                                       
CONECT   11   31   29   29   30                                       
CONECT   12   34   13   33   33                                       
CONECT   13   12   57   58   59                                       
CONECT   14   15   34   34   60                                       
CONECT   15   35   17   14   61                                       
CONECT   16   36   35   35   62                                       
CONECT   17   39   37   15   38                                       
CONECT   18   23   63                                                 
CONECT   19   36   64                                                 
CONECT   20   21   65   66   67                                       
CONECT   21    3    3    5   20                                       
CONECT   22    7    6    4    3                                       
CONECT   23    4   18    5   68                                       
CONECT   24    9    8   69  100                                       
CONECT   25   26   26   10   70                                       
CONECT   26   27   25   25   71                                       
CONECT   27   41    1    1   26                                       
CONECT   28   29    2    2   72                                       
CONECT   29   11   11   28   73                                       
CONECT   30   11   74   75   76                                       
CONECT   31   32   32   11   77                                       
CONECT   32   33   31   31   78                                       
CONECT   33   12   12   32   79                                       
CONECT   34   14   14   12   80                                       
CONECT   35   16   16   40   15                                       
CONECT   36   19   16   37   81                                       
CONECT   37   36   17   82   83                                       
CONECT   38   17   84   85   86                                       
CONECT   39   17   87   88   89                                       
CONECT   40   35   90   91   92                                       
CONECT   41   27   93   94   95                                       
CONECT   42    9   96   97   98                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99    8                                                      
CONECT  100   24                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
