COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.219   0.709   0.739  1.00  0.00           C  
HETATM    2  O   UNL     1       9.821   0.717   0.894  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.172  -0.516  -0.139  1.00  0.00           C  
HETATM    4  C   UNL     1       7.453  -0.323   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1       8.673  -0.861  -0.253  1.00  0.00           C  
HETATM    6  C   UNL     1       8.720  -2.085  -1.131  1.00  0.00           C  
HETATM    7  C   UNL     1       9.859  -0.271   0.185  1.00  0.00           C  
HETATM    8  C   UNL     1      11.187  -0.858  -0.220  1.00  0.00           C  
HETATM    9  C   UNL     1      12.316   0.056   0.262  1.00  0.00           C  
HETATM   10  C   UNL     1      12.368   1.437  -0.389  1.00  0.00           C  
HETATM   11  C   UNL     1      13.777   1.720  -0.910  1.00  0.00           C  
HETATM   12  C   UNL     1      14.771   1.536   0.242  1.00  0.00           C  
HETATM   13  C   UNL     1      14.937   0.041   0.511  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.944  -1.058  -0.513  1.00  0.00           C  
HETATM   15  C   UNL     1      13.586  -0.607   0.772  1.00  0.00           C  
HETATM   16  C   UNL     1      13.597  -2.137   0.777  1.00  0.00           C  
HETATM   17  C   UNL     1      11.990   2.499   0.646  1.00  0.00           C  
HETATM   18  C   UNL     1      11.377   1.487  -1.553  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.347  -1.100  -0.573  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.581  -0.555  -0.198  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.740  -1.132  -0.626  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.987  -0.582  -0.246  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.034   0.642   0.632  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.125  -1.148  -0.667  1.00  0.00           C  
HETATM   25  C   UNL     1       0.235  -0.471  -0.077  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.277  -0.639  -0.316  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.428  -0.131   0.035  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.125  -0.586   1.298  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.568  -0.967   0.949  1.00  0.00           C  
HETATM   30  C   UNL     1     -13.247   0.208   0.243  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.542   0.493  -1.084  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.096   0.933  -0.808  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.345   1.088  -2.132  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.511   0.899  -0.030  1.00  0.00           C  
HETATM   35  C   UNL     1     -16.972   0.635  -0.288  1.00  0.00           C  
HETATM   36  C   UNL     1       1.459  -1.012  -0.451  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.398  -1.802   1.876  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.123   0.549   2.324  1.00  0.00           C  
HETATM   39  C   UNL     1       2.642  -0.423  -0.014  1.00  0.00           C  
HETATM   40  C   UNL     1       3.864  -0.963  -0.386  1.00  0.00           C  
HETATM   41  C   UNL     1       3.911  -2.187  -1.264  1.00  0.00           C  
HETATM   42  C   UNL     1       5.048  -0.374   0.052  1.00  0.00           C  
HETATM   43  C   UNL     1       6.268  -0.913  -0.320  1.00  0.00           C  
HETATM   44  O   UNL     1      12.659   0.007   1.656  1.00  0.00           O  
HETATM   45  O   UNL     1      16.033   2.102  -0.119  1.00  0.00           O  
HETATM   46  O   UNL     1     -11.098   2.179  -0.109  1.00  0.00           O  
HETATM   47  O   UNL     1     -14.638  -0.120  -0.011  1.00  0.00           O  
HETATM   48  O   UNL     1     -15.125   2.029   0.160  1.00  0.00           O  
HETATM   49  H   UNL     1      -2.220   1.603   0.116  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.125   0.687   1.344  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.346   0.721   1.391  1.00  0.00           H  
HETATM   52  H   UNL     1       7.420   0.554   0.747  1.00  0.00           H  
HETATM   53  H   UNL     1       8.741  -1.781  -2.178  1.00  0.00           H  
HETATM   54  H   UNL     1       9.615  -2.663  -0.902  1.00  0.00           H  
HETATM   55  H   UNL     1       7.836  -2.697  -0.949  1.00  0.00           H  
HETATM   56  H   UNL     1      11.301  -1.844   0.230  1.00  0.00           H  
HETATM   57  H   UNL     1      11.229  -0.946  -1.305  1.00  0.00           H  
HETATM   58  H   UNL     1      14.016   1.024  -1.714  1.00  0.00           H  
HETATM   59  H   UNL     1      13.830   2.742  -1.284  1.00  0.00           H  
HETATM   60  H   UNL     1      14.391   2.031   1.136  1.00  0.00           H  
HETATM   61  H   UNL     1      15.401  -0.431  -0.355  1.00  0.00           H  
HETATM   62  H   UNL     1      15.576  -0.099   1.382  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.910  -1.935  -1.143  1.00  0.00           H  
HETATM   64  H   UNL     1      13.454  -2.504  -0.240  1.00  0.00           H  
HETATM   65  H   UNL     1      14.553  -2.492   1.161  1.00  0.00           H  
HETATM   66  H   UNL     1      12.791  -2.504   1.412  1.00  0.00           H  
HETATM   67  H   UNL     1      12.611   2.378   1.534  1.00  0.00           H  
HETATM   68  H   UNL     1      12.151   3.491   0.223  1.00  0.00           H  
HETATM   69  H   UNL     1      10.941   2.385   0.917  1.00  0.00           H  
HETATM   70  H   UNL     1      10.359   1.418  -1.167  1.00  0.00           H  
HETATM   71  H   UNL     1      11.498   2.426  -2.093  1.00  0.00           H  
HETATM   72  H   UNL     1      11.566   0.652  -2.228  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.313  -1.977  -1.203  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.615   0.322   0.432  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.707  -2.009  -1.255  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.056   0.338   1.678  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.151   1.254   0.449  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.930   1.220   0.403  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.091  -2.025  -1.296  1.00  0.00           H  
HETATM   80  H   UNL     1       0.201   0.406   0.552  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.565  -1.834   0.289  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.112  -1.206   1.862  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.193   1.092   0.879  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.537  -0.407  -1.699  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.070   1.289  -1.610  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.841   1.840  -2.746  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.319   1.400  -1.934  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.339   0.135  -2.661  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.167   0.687  -1.359  1.00  0.00           H  
HETATM   90  H   UNL     1     -17.233  -0.357   0.081  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.573   1.384   0.228  1.00  0.00           H  
HETATM   92  H   UNL     1       1.493  -1.889  -1.080  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.368  -1.533   2.108  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.902  -2.128   2.786  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.407  -2.612   1.146  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.647   1.412   1.912  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.625   0.218   3.233  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.095   0.826   2.557  1.00  0.00           H  
HETATM   99  H   UNL     1       2.608   0.454   0.616  1.00  0.00           H  
HETATM  100  H   UNL     1       3.932  -1.883  -2.310  1.00  0.00           H  
HETATM  101  H   UNL     1       4.806  -2.764  -1.035  1.00  0.00           H  
HETATM  102  H   UNL     1       3.027  -2.799  -1.082  1.00  0.00           H  
HETATM  103  H   UNL     1       5.014   0.503   0.681  1.00  0.00           H  
HETATM  104  H   UNL     1       6.302  -1.790  -0.949  1.00  0.00           H  
HETATM  105  H   UNL     1      16.711   2.021   0.566  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.527   2.900  -0.590  1.00  0.00           H  
CONECT    1    3   49   50   51                                       
CONECT    2    7    7                                                 
CONECT    3    1   19   14   14                                       
CONECT    4   43    5    5   52                                       
CONECT    5    4    4    7    6                                       
CONECT    6    5   53   54   55                                       
CONECT    7    8    5    2    2                                       
CONECT    8    9    7   56   57                                       
CONECT    9   44    8   15   10                                       
CONECT   10   17    9   18   11                                       
CONECT   11   10   12   58   59                                       
CONECT   12   13   11   45   60                                       
CONECT   13   15   12   61   62                                       
CONECT   14    3    3   25   63                                       
CONECT   15   44   16    9   13                                       
CONECT   16   15   64   65   66                                       
CONECT   17   10   67   68   69                                       
CONECT   18   10   70   71   72                                       
CONECT   19   20   20    3   73                                       
CONECT   20   21   19   19   74                                       
CONECT   21   22   22   20   75                                       
CONECT   22   23   24   21   21                                       
CONECT   23   22   76   77   78                                       
CONECT   24   26   26   22   79                                       
CONECT   25   14   36   36   80                                       
CONECT   26   27   27   24   24                                       
CONECT   27   32   26   26   28                                       
CONECT   28   27   29   37   38                                       
CONECT   29   30   28   81   82                                       
CONECT   30   31   47   29   83                                       
CONECT   31   32   30   84   85                                       
CONECT   32   33   31   46   27                                       
CONECT   33   32   86   87   88                                       
CONECT   34   35   48   48   47                                       
CONECT   35   34   89   90   91                                       
CONECT   36   25   25   39   92                                       
CONECT   37   28   93   94   95                                       
CONECT   38   28   96   97   98                                       
CONECT   39   36   40   40   99                                       
CONECT   40   39   39   42   41                                       
CONECT   41   40  100  101  102                                       
CONECT   42   40   43   43  103                                       
CONECT   43   42   42    4  104                                       
CONECT   44   15    9                                                 
CONECT   45   12  105                                                 
CONECT   46   32  106                                                 
CONECT   47   34   30                                                 
CONECT   48   34   34                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
