COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.051  -0.213   0.462  1.00  0.00           C  
HETATM    2  O   UNL     1       5.492  -1.263   0.217  1.00  0.00           O  
HETATM    3  O   UNL     1       7.236   0.069  -0.112  1.00  0.00           O  
HETATM    4  C   UNL     1       7.786  -0.928  -1.012  1.00  0.00           C  
HETATM    5  C   UNL     1       9.105  -0.442  -1.555  1.00  0.00           C  
HETATM    6  C   UNL     1      10.278  -0.736  -0.885  1.00  0.00           C  
HETATM    7  C   UNL     1      11.488  -0.290  -1.383  1.00  0.00           C  
HETATM    8  C   UNL     1      11.526   0.449  -2.550  1.00  0.00           C  
HETATM    9  C   UNL     1      10.353   0.741  -3.221  1.00  0.00           C  
HETATM   10  C   UNL     1       9.143   0.292  -2.726  1.00  0.00           C  
HETATM   11  N   UNL     1       5.483   0.673   1.304  1.00  0.00           N  
HETATM   12  C   UNL     1       4.143   0.419   1.839  1.00  0.00           C  
HETATM   13  C   UNL     1       3.109   0.926   0.867  1.00  0.00           C  
HETATM   14  O   UNL     1       3.457   1.447  -0.171  1.00  0.00           O  
HETATM   15  C   UNL     1       3.983   1.143   3.178  1.00  0.00           C  
HETATM   16  C   UNL     1       4.950   0.568   4.179  1.00  0.00           C  
HETATM   17  O   UNL     1       5.617  -0.397   3.889  1.00  0.00           O  
HETATM   18  O   UNL     1       5.071   1.127   5.394  1.00  0.00           O  
HETATM   19  N   UNL     1       1.797   0.799   1.151  1.00  0.00           N  
HETATM   20  C   UNL     1       0.792   1.291   0.206  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.482   1.605   0.947  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.544   1.435   2.146  1.00  0.00           O  
HETATM   23  C   UNL     1       0.517   0.219  -0.850  1.00  0.00           C  
HETATM   24  C   UNL     1       1.779  -0.011  -1.684  1.00  0.00           C  
HETATM   25  C   UNL     1       1.508  -1.067  -2.725  1.00  0.00           C  
HETATM   26  O   UNL     1       0.417  -1.583  -2.792  1.00  0.00           O  
HETATM   27  O   UNL     1       2.478  -1.434  -3.577  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.553   2.076   0.276  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.791   2.381   0.996  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.959   2.288   0.049  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.773   2.326  -1.149  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.712   3.797   1.570  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.602   3.861   2.621  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.406   4.787   0.444  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.350  -4.686   0.587  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.251  -4.075   1.162  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.211   2.162   0.532  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.984  -4.328   0.670  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.816  -5.193  -0.395  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.914  -5.804  -0.970  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.181  -5.550  -0.479  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.730  -4.415   1.127  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.146  -1.656   0.028  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.333  -0.400   0.348  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.853   0.756  -0.465  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.549  -2.838   0.747  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.792   3.098  -1.138  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.145   3.087  -2.498  1.00  0.00           C  
HETATM   49  N   UNL     1      -6.286   1.973  -0.347  1.00  0.00           N  
HETATM   50  N   UNL     1      -5.311  -3.266   0.428  1.00  0.00           N  
HETATM   51  O   UNL     1      -7.182  -3.405   1.612  1.00  0.00           O  
HETATM   52  O   UNL     1      -7.784   0.593  -1.226  1.00  0.00           O  
HETATM   53  O   UNL     1      -5.342   2.228  -2.779  1.00  0.00           O  
HETATM   54  O   UNL     1      -6.459   4.032  -3.398  1.00  0.00           O  
HETATM   55  O   UNL     1      -8.497  -1.471   0.456  1.00  0.00           O  
HETATM   56  H   UNL     1       7.937  -1.862  -0.471  1.00  0.00           H  
HETATM   57  H   UNL     1       7.093  -1.095  -1.837  1.00  0.00           H  
HETATM   58  H   UNL     1      10.249  -1.313   0.027  1.00  0.00           H  
HETATM   59  H   UNL     1      12.405  -0.519  -0.859  1.00  0.00           H  
HETATM   60  H   UNL     1      12.471   0.798  -2.939  1.00  0.00           H  
HETATM   61  H   UNL     1      10.382   1.319  -4.133  1.00  0.00           H  
HETATM   62  H   UNL     1       8.227   0.517  -3.251  1.00  0.00           H  
HETATM   63  H   UNL     1       5.960   1.479   1.555  1.00  0.00           H  
HETATM   64  H   UNL     1       4.008  -0.652   1.988  1.00  0.00           H  
HETATM   65  H   UNL     1       4.188   2.205   3.043  1.00  0.00           H  
HETATM   66  H   UNL     1       2.963   1.014   3.541  1.00  0.00           H  
HETATM   67  H   UNL     1       5.704   0.722   6.002  1.00  0.00           H  
HETATM   68  H   UNL     1       1.519   0.381   1.982  1.00  0.00           H  
HETATM   69  H   UNL     1       1.162   2.194  -0.280  1.00  0.00           H  
HETATM   70  H   UNL     1       0.232  -0.711  -0.358  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.293   0.549  -1.500  1.00  0.00           H  
HETATM   72  H   UNL     1       2.063   0.919  -2.176  1.00  0.00           H  
HETATM   73  H   UNL     1       2.589  -0.341  -1.034  1.00  0.00           H  
HETATM   74  H   UNL     1       2.257  -2.115  -4.227  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.503   2.212  -0.683  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.925   1.667   1.809  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.665   4.056   2.032  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.634   3.739   2.134  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.635   4.825   3.127  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.745   3.062   3.349  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.197   4.742  -0.305  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.349   5.796   0.853  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.453   4.528  -0.018  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.382  -3.400   1.994  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.368   2.203   1.488  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.125  -3.851   1.119  1.00  0.00           H  
HETATM   87  H   UNL     1       0.174  -5.390  -0.780  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.783  -6.479  -1.802  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.040  -6.027  -0.928  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.360  -5.291   0.970  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.668  -4.198   2.193  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.127  -1.837  -1.047  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.424  -0.169   1.409  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.285  -0.574   0.103  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.557   4.033  -0.630  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.872   3.006  -1.249  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.805  -2.813  -0.264  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.018   3.984  -4.258  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.589  -1.305   1.404  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   56   57                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   58                                       
CONECT    7    6    8    8   59                                       
CONECT    8    7    7    9   60                                       
CONECT    9    8   10   10   61                                       
CONECT   10    5    9    9   62                                       
CONECT   11   12   63    1                                            
CONECT   12   11   13   15   64                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   65   66                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   67                                                 
CONECT   19   20   68   13                                            
CONECT   20   19   21   23   69                                       
CONECT   21   20   22   22   28                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   70   71                                       
CONECT   24   23   25   72   73                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   74                                                 
CONECT   28   29   75   21                                            
CONECT   29   28   30   32   76                                       
CONECT   30   29   31   31   37                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   34   77                                       
CONECT   33   32   78   79   80                                       
CONECT   34   32   81   82   83                                       
CONECT   35   36   41   41   42                                       
CONECT   36   35   38   38   84                                       
CONECT   37   49   85   30                                            
CONECT   38   36   36   39   86                                       
CONECT   39   38   40   40   87                                       
CONECT   40   39   39   41   88                                       
CONECT   41   35   35   40   89                                       
CONECT   42   35   50   90   91                                       
CONECT   43   44   46   55   92                                       
CONECT   44   43   45   93   94                                       
CONECT   45   44   49   52   52                                       
CONECT   46   43   50   51   51                                       
CONECT   47   48   49   95   96                                       
CONECT   48   47   53   53   54                                       
CONECT   49   37   45   47                                            
CONECT   50   42   46   97                                            
CONECT   51   46   46                                                 
CONECT   52   45   45                                                 
CONECT   53   48   48                                                 
CONECT   54   48   98                                                 
CONECT   55   43   99                                                 
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   50                                                      
CONECT   98   54                                                      
CONECT   99   55                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
