COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.390   1.168  -3.164  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.349   0.581  -2.206  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.297   0.049  -3.680  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.942   1.570  -1.352  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.620   1.195  -2.761  1.00  0.00           O  
HETATM    6  O   UNL     1       7.374   0.044  -1.803  1.00  0.00           O  
HETATM    7  C   UNL     1       7.393   1.191  -1.423  1.00  0.00           C  
HETATM    8  C   UNL     1       8.174   2.226  -2.191  1.00  0.00           C  
HETATM    9  O   UNL     1       6.717   1.543  -0.318  1.00  0.00           O  
HETATM   10  C   UNL     1       5.986   0.494   0.370  1.00  0.00           C  
HETATM   11  C   UNL     1       4.563   0.407  -0.190  1.00  0.00           C  
HETATM   12  O   UNL     1       4.615   0.036  -1.569  1.00  0.00           O  
HETATM   13  C   UNL     1       5.916   0.815   1.866  1.00  0.00           C  
HETATM   14  O   UNL     1       7.235   0.828   2.415  1.00  0.00           O  
HETATM   15  C   UNL     1       5.077  -0.254   2.571  1.00  0.00           C  
HETATM   16  C   UNL     1       4.952   0.092   4.056  1.00  0.00           C  
HETATM   17  O   UNL     1       3.777  -0.303   1.982  1.00  0.00           O  
HETATM   18  C   UNL     1       3.777  -0.646   0.594  1.00  0.00           C  
HETATM   19  O   UNL     1       2.432  -0.693   0.114  1.00  0.00           O  
HETATM   20  C   UNL     1       1.682  -1.811   0.593  1.00  0.00           C  
HETATM   21  C   UNL     1       1.710  -2.931  -0.451  1.00  0.00           C  
HETATM   22  O   UNL     1       3.076  -3.391  -0.634  1.00  0.00           O  
HETATM   23  C   UNL     1       3.401  -3.866  -1.846  1.00  0.00           C  
HETATM   24  C   UNL     1       4.800  -4.361  -2.111  1.00  0.00           C  
HETATM   25  O   UNL     1       2.573  -3.897  -2.726  1.00  0.00           O  
HETATM   26  C   UNL     1       0.840  -4.093   0.039  1.00  0.00           C  
HETATM   27  O   UNL     1       0.800  -5.114  -0.960  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.578  -3.581   0.304  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.438  -4.722   0.851  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.530  -2.520   1.260  1.00  0.00           O  
HETATM   31  C   UNL     1       0.231  -1.387   0.837  1.00  0.00           C  
HETATM   32  O   UNL     1       0.192  -0.365   1.867  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.973   0.277   2.045  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.947  -0.052   1.410  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.067   1.408   3.036  1.00  0.00           C  
HETATM   36  C   UNL     1       0.252   2.163   3.079  1.00  0.00           C  
HETATM   37  C   UNL     1       0.592   2.636   1.668  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.172   2.366   2.592  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.876   2.963   1.238  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.475   3.599   1.144  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.299   3.674  -0.392  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.029   4.898  -1.051  1.00  0.00           O  
HETATM   43  C   UNL     1       1.054   3.963  -1.018  1.00  0.00           C  
HETATM   44  O   UNL     1      -1.910   2.000   0.176  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.258   2.621  -0.951  1.00  0.00           C  
HETATM   46  O   UNL     1      -0.536   1.636  -1.686  1.00  0.00           O  
HETATM   47  C   UNL     1      -2.306   3.284  -1.845  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.233   2.206  -2.418  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.168   1.083  -1.638  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.951   0.419  -0.596  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.176  -0.068  -0.882  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.965  -0.736   0.166  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.235  -1.243  -0.125  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.968  -1.867   0.862  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.449  -1.993   2.139  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.193  -1.494   2.436  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.445  -0.872   1.458  1.00  0.00           C  
HETATM   58  H   UNL     1      -1.884   1.644  -4.003  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.855   0.074  -1.385  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.722  -0.131  -2.742  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.040   0.467  -4.358  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.696  -0.690  -4.211  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.800  -0.429  -2.839  1.00  0.00           H  
HETATM   64  H   UNL     1       7.533   2.678  -2.947  1.00  0.00           H  
HETATM   65  H   UNL     1       8.526   2.997  -1.505  1.00  0.00           H  
HETATM   66  H   UNL     1       9.028   1.752  -2.674  1.00  0.00           H  
HETATM   67  H   UNL     1       6.494  -0.460   0.224  1.00  0.00           H  
HETATM   68  H   UNL     1       4.074   1.376  -0.092  1.00  0.00           H  
HETATM   69  H   UNL     1       3.747  -0.037  -1.989  1.00  0.00           H  
HETATM   70  H   UNL     1       5.453   1.792   2.007  1.00  0.00           H  
HETATM   71  H   UNL     1       7.266   1.026   3.361  1.00  0.00           H  
HETATM   72  H   UNL     1       5.562  -1.225   2.464  1.00  0.00           H  
HETATM   73  H   UNL     1       4.560   1.104   4.161  1.00  0.00           H  
HETATM   74  H   UNL     1       4.274  -0.612   4.537  1.00  0.00           H  
HETATM   75  H   UNL     1       5.933   0.032   4.527  1.00  0.00           H  
HETATM   76  H   UNL     1       4.245  -1.622   0.461  1.00  0.00           H  
HETATM   77  H   UNL     1       2.118  -2.170   1.526  1.00  0.00           H  
HETATM   78  H   UNL     1       1.320  -2.557  -1.398  1.00  0.00           H  
HETATM   79  H   UNL     1       5.400  -4.255  -1.207  1.00  0.00           H  
HETATM   80  H   UNL     1       4.765  -5.410  -2.402  1.00  0.00           H  
HETATM   81  H   UNL     1       5.247  -3.775  -2.914  1.00  0.00           H  
HETATM   82  H   UNL     1       1.259  -4.498   0.960  1.00  0.00           H  
HETATM   83  H   UNL     1       0.266  -5.882  -0.716  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.012  -3.213  -0.626  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.005  -5.090   1.781  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.448  -4.357   1.040  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.475  -5.531   0.122  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.191  -0.990  -0.086  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.297   1.012   4.025  1.00  0.00           H  
HETATM   90  H   UNL     1       0.159   3.025   3.740  1.00  0.00           H  
HETATM   91  H   UNL     1       1.039   1.504   3.445  1.00  0.00           H  
HETATM   92  H   UNL     1       1.557   3.144   1.684  1.00  0.00           H  
HETATM   93  H   UNL     1       0.652   1.773   1.005  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.118   1.826   2.555  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.254   3.176   3.317  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.621   3.730   1.024  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.426   4.574   1.630  1.00  0.00           H  
HETATM   98  H   UNL     1       1.889   4.175  -0.350  1.00  0.00           H  
HETATM   99  H   UNL     1       1.308   3.445  -1.944  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.891   3.992  -1.258  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.810   3.809  -2.661  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.942   2.664  -3.107  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.549   0.319   0.401  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.578   0.031  -1.879  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.642  -1.145  -1.121  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.949  -2.259   0.638  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.028  -2.482   2.908  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.795  -1.595   3.434  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.463  -0.488   1.689  1.00  0.00           H  
CONECT    1    3   48    2   58                                       
CONECT    2    1   46   59   60                                       
CONECT    3    1   61   62   63                                       
CONECT    4   48   49                                                 
CONECT    5   49   49                                                 
CONECT    6    7    7                                                 
CONECT    7    6    6    9    8                                       
CONECT    8    7   64   65   66                                       
CONECT    9    7   10                                                 
CONECT   10   13    9   11   67                                       
CONECT   11   10   18   12   68                                       
CONECT   12   11   69                                                 
CONECT   13   14   15   10   70                                       
CONECT   14   13   71                                                 
CONECT   15   16   13   17   72                                       
CONECT   16   15   73   74   75                                       
CONECT   17   15   18                                                 
CONECT   18   17   11   19   76                                       
CONECT   19   18   20                                                 
CONECT   20   19   31   21   77                                       
CONECT   21   20   22   26   78                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   25   25                                       
CONECT   24   23   79   80   81                                       
CONECT   25   23   23                                                 
CONECT   26   21   28   27   82                                       
CONECT   27   26   83                                                 
CONECT   28   30   26   29   84                                       
CONECT   29   28   85   86   87                                       
CONECT   30   31   28                                                 
CONECT   31   32   20   30   88                                       
CONECT   32   33   31                                                 
CONECT   33   35   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   38   36   33   89                                       
CONECT   36   37   35   90   91                                       
CONECT   37   40   36   92   93                                       
CONECT   38   39   35   94   95                                       
CONECT   39   44   40   38   96                                       
CONECT   40   41   39   37   97                                       
CONECT   41   43   42   45   40                                       
CONECT   42   43   41                                                 
CONECT   43   42   41   98   99                                       
CONECT   44   45   39                                                 
CONECT   45   47   41   46   44                                       
CONECT   46    2   45                                                 
CONECT   47   48   45  100  101                                       
CONECT   48    1   47    4  102                                       
CONECT   49    5    5    4   50                                       
CONECT   50   49   51   51  103                                       
CONECT   51   50   50   52  104                                       
CONECT   52   51   53   53   57                                       
CONECT   53   52   52   54  105                                       
CONECT   54   53   55   55  106                                       
CONECT   55   54   54   56  107                                       
CONECT   56   57   57   55  108                                       
CONECT   57   52   56   56  109                                       
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   55                                                      
CONECT  108   56                                                      
CONECT  109   57                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
