COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.448  -9.287   1.326  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.142  -8.229   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.519  -7.001   0.932  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.213  -5.943  -0.130  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.590  -4.715   0.537  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.285  -3.657  -0.524  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.661  -2.430   0.143  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.360  -1.388  -0.902  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.619  -1.605  -2.067  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.803  -0.214  -0.544  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.511   0.800  -1.560  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.763   1.640  -1.818  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.104   2.363  -0.633  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.266   3.184  -0.766  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.426   2.355  -0.867  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.623   1.489   0.252  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.871   0.635   0.022  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.656  -0.232  -1.094  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.805   2.328   1.519  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.974   3.140   1.390  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.578   3.225   1.709  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.772   4.065   2.849  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.393   4.091   0.460  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.209   4.880   0.596  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.381   1.706  -1.067  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.182   2.770  -2.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.093   0.891  -0.940  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.292  -0.173  -0.006  1.00  0.00           O  
HETATM   29  C   UNL     1       1.037   1.797  -0.446  1.00  0.00           C  
HETATM   30  C   UNL     1       2.352   1.014  -0.438  1.00  0.00           C  
HETATM   31  C   UNL     1       3.482   1.920   0.056  1.00  0.00           C  
HETATM   32  C   UNL     1       4.777   1.150   0.064  1.00  0.00           C  
HETATM   33  O   UNL     1       4.794  -0.010  -0.290  1.00  0.00           O  
HETATM   34  N   UNL     1       5.915   1.749   0.465  1.00  0.00           N  
HETATM   35  C   UNL     1       7.098   1.008   0.566  1.00  0.00           C  
HETATM   36  C   UNL     1       7.359  -0.013  -0.339  1.00  0.00           C  
HETATM   37  C   UNL     1       8.528  -0.742  -0.237  1.00  0.00           C  
HETATM   38  C   UNL     1       8.016   1.296   1.567  1.00  0.00           C  
HETATM   39  C   UNL     1       9.183   0.563   1.664  1.00  0.00           C  
HETATM   40  C   UNL     1       9.437  -0.456   0.765  1.00  0.00           C  
HETATM   41  C   UNL     1      10.711  -1.254   0.873  1.00  0.00           C  
HETATM   42  C   UNL     1      11.805  -0.583   0.040  1.00  0.00           C  
HETATM   43  C   UNL     1      13.099  -1.393   0.150  1.00  0.00           C  
HETATM   44  C   UNL     1      14.193  -0.723  -0.683  1.00  0.00           C  
HETATM   45  C   UNL     1      15.486  -1.532  -0.573  1.00  0.00           C  
HETATM   46  H   UNL     1      -7.145  -8.877   2.057  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.892 -10.161   0.850  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.524  -9.576   1.827  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.445  -8.638  -0.467  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.066  -7.939  -0.237  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.216  -6.592   1.663  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.595  -7.290   1.433  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.516  -6.352  -0.861  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.137  -5.654  -0.632  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.287  -4.306   1.268  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.666  -5.005   1.039  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.587  -4.067  -1.255  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.208  -3.368  -1.026  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.358  -2.020   0.874  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.737  -2.719   0.645  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.596  -0.040   0.388  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.206   0.309  -2.485  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.569   2.342  -2.628  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.590   0.985  -2.094  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.177   3.796  -1.664  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.755   0.840   0.367  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.072   0.038   0.912  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.723   1.283  -0.181  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.408  -0.805  -1.298  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.913   1.669   2.381  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.151   3.700   2.159  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.694   2.605   1.859  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.031   4.660   3.029  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.256   4.746   0.340  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.028   5.450  -0.163  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.646   2.121  -0.094  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.017   2.473  -2.906  1.00  0.00           H  
HETATM   78  H   UNL     1       0.173   0.476  -1.912  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.531   0.123   0.882  1.00  0.00           H  
HETATM   80  H   UNL     1       1.130   2.656  -1.111  1.00  0.00           H  
HETATM   81  H   UNL     1       0.813   2.141   0.563  1.00  0.00           H  
HETATM   82  H   UNL     1       2.259   0.155   0.227  1.00  0.00           H  
HETATM   83  H   UNL     1       2.577   0.670  -1.447  1.00  0.00           H  
HETATM   84  H   UNL     1       3.575   2.780  -0.609  1.00  0.00           H  
HETATM   85  H   UNL     1       3.257   2.264   1.065  1.00  0.00           H  
HETATM   86  H   UNL     1       5.915   2.694   0.683  1.00  0.00           H  
HETATM   87  H   UNL     1       6.649  -0.236  -1.121  1.00  0.00           H  
HETATM   88  H   UNL     1       8.731  -1.536  -0.940  1.00  0.00           H  
HETATM   89  H   UNL     1       7.818   2.092   2.269  1.00  0.00           H  
HETATM   90  H   UNL     1       9.897   0.787   2.442  1.00  0.00           H  
HETATM   91  H   UNL     1      11.025  -1.298   1.916  1.00  0.00           H  
HETATM   92  H   UNL     1      10.540  -2.264   0.502  1.00  0.00           H  
HETATM   93  H   UNL     1      11.492  -0.539  -1.003  1.00  0.00           H  
HETATM   94  H   UNL     1      11.976   0.427   0.411  1.00  0.00           H  
HETATM   95  H   UNL     1      13.412  -1.437   1.193  1.00  0.00           H  
HETATM   96  H   UNL     1      12.927  -2.404  -0.221  1.00  0.00           H  
HETATM   97  H   UNL     1      13.879  -0.678  -1.727  1.00  0.00           H  
HETATM   98  H   UNL     1      14.364   0.288  -0.313  1.00  0.00           H  
HETATM   99  H   UNL     1      15.800  -1.576   0.470  1.00  0.00           H  
HETATM  100  H   UNL     1      15.315  -2.543  -0.944  1.00  0.00           H  
HETATM  101  H   UNL     1      16.265  -1.055  -1.167  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   61                                            
CONECT   11   25   10   12   62                                       
CONECT   12   11   13   63   64                                       
CONECT   13   12   14                                                 
CONECT   14   13   23   15   65                                       
CONECT   15   14   16                                                 
CONECT   16   15   19   17   66                                       
CONECT   17   16   18   67   68                                       
CONECT   18   17   69                                                 
CONECT   19   21   16   20   70                                       
CONECT   20   19   71                                                 
CONECT   21   23   22   19   72                                       
CONECT   22   21   73                                                 
CONECT   23   24   14   21   74                                       
CONECT   24   23   75                                                 
CONECT   25   27   26   11   76                                       
CONECT   26   25   77                                                 
CONECT   27   29   28   25   78                                       
CONECT   28   27   79                                                 
CONECT   29   30   27   80   81                                       
CONECT   30   31   29   82   83                                       
CONECT   31   32   30   84   85                                       
CONECT   32   34   33   33   31                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   86                                            
CONECT   35   36   36   38   34                                       
CONECT   36   37   35   35   87                                       
CONECT   37   40   40   36   88                                       
CONECT   38   39   39   35   89                                       
CONECT   39   40   38   38   90                                       
CONECT   40   41   37   37   39                                       
CONECT   41   42   40   91   92                                       
CONECT   42   43   41   93   94                                       
CONECT   43   44   42   95   96                                       
CONECT   44   45   43   97   98                                       
CONECT   45   44   99  100  101                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
