COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.017  -0.548   1.734  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.246  -1.399   1.407  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.673  -1.124  -0.038  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.861   0.387  -0.214  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.586   1.103   0.236  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.342   0.834   1.615  1.00  0.00           O  
HETATM    7  O   UNL     1       0.536   0.630  -0.553  1.00  0.00           O  
HETATM    8  C   UNL     1       0.957   1.340  -1.618  1.00  0.00           C  
HETATM    9  O   UNL     1       0.325   2.308  -1.992  1.00  0.00           O  
HETATM   10  C   UNL     1       2.186   0.941  -2.330  1.00  0.00           C  
HETATM   11  C   UNL     1       2.547   1.585  -3.517  1.00  0.00           C  
HETATM   12  C   UNL     1       3.699   1.210  -4.182  1.00  0.00           C  
HETATM   13  O   UNL     1       4.052   1.837  -5.336  1.00  0.00           O  
HETATM   14  C   UNL     1       4.499   0.191  -3.671  1.00  0.00           C  
HETATM   15  O   UNL     1       5.631  -0.175  -4.328  1.00  0.00           O  
HETATM   16  C   UNL     1       4.142  -0.451  -2.489  1.00  0.00           C  
HETATM   17  O   UNL     1       4.926  -1.445  -1.993  1.00  0.00           O  
HETATM   18  C   UNL     1       2.994  -0.076  -1.817  1.00  0.00           C  
HETATM   19  C   UNL     1       2.186  -0.131   4.689  1.00  0.00           C  
HETATM   20  O   UNL     1       1.730  -0.888   5.523  1.00  0.00           O  
HETATM   21  C   UNL     1       3.372   0.685   5.004  1.00  0.00           C  
HETATM   22  C   UNL     1       3.974   0.590   6.262  1.00  0.00           C  
HETATM   23  C   UNL     1       5.086   1.356   6.555  1.00  0.00           C  
HETATM   24  O   UNL     1       5.672   1.264   7.779  1.00  0.00           O  
HETATM   25  C   UNL     1       5.604   2.226   5.599  1.00  0.00           C  
HETATM   26  O   UNL     1       6.698   2.979   5.890  1.00  0.00           O  
HETATM   27  C   UNL     1       5.010   2.320   4.343  1.00  0.00           C  
HETATM   28  O   UNL     1       5.522   3.167   3.411  1.00  0.00           O  
HETATM   29  C   UNL     1       3.898   1.556   4.045  1.00  0.00           C  
HETATM   30  C   UNL     1       0.438  -0.842   3.165  1.00  0.00           C  
HETATM   31  O   UNL     1       1.607  -0.038   3.475  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.332  -1.056   2.308  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.476  -1.718   3.473  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.696  -2.602   3.769  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.579  -1.370   4.388  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.729  -2.056   5.596  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.763  -1.728   6.452  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.910  -2.395   7.628  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.656  -0.715   6.111  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.672  -0.395   6.954  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.509  -0.030   4.908  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.382   0.958   4.578  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.473  -0.350   4.051  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.120   0.687  -1.611  1.00  0.00           O  
HETATM   45  C   UNL     1      -2.873   1.754  -1.942  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.336   2.465  -1.072  1.00  0.00           O  
HETATM   47  C   UNL     1      -3.135   2.059  -3.361  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.916   3.165  -3.707  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.161   3.448  -5.037  1.00  0.00           C  
HETATM   50  O   UNL     1      -4.920   4.525  -5.374  1.00  0.00           O  
HETATM   51  C   UNL     1      -3.630   2.633  -6.033  1.00  0.00           C  
HETATM   52  O   UNL     1      -3.872   2.914  -7.340  1.00  0.00           O  
HETATM   53  C   UNL     1      -2.851   1.530  -5.692  1.00  0.00           C  
HETATM   54  O   UNL     1      -2.333   0.736  -6.667  1.00  0.00           O  
HETATM   55  C   UNL     1      -2.599   1.245  -4.363  1.00  0.00           C  
HETATM   56  O   UNL     1      -0.649  -1.597  -0.952  1.00  0.00           O  
HETATM   57  C   UNL     1      -0.989  -2.017  -2.186  1.00  0.00           C  
HETATM   58  O   UNL     1      -2.139  -1.918  -2.566  1.00  0.00           O  
HETATM   59  C   UNL     1       0.033  -2.599  -3.075  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.287  -2.917  -4.398  1.00  0.00           C  
HETATM   61  C   UNL     1       0.673  -3.462  -5.229  1.00  0.00           C  
HETATM   62  O   UNL     1       0.361  -3.772  -6.516  1.00  0.00           O  
HETATM   63  C   UNL     1       1.960  -3.693  -4.749  1.00  0.00           C  
HETATM   64  O   UNL     1       2.902  -4.229  -5.568  1.00  0.00           O  
HETATM   65  C   UNL     1       2.282  -3.376  -3.432  1.00  0.00           C  
HETATM   66  O   UNL     1       3.540  -3.603  -2.968  1.00  0.00           O  
HETATM   67  C   UNL     1       1.327  -2.827  -2.598  1.00  0.00           C  
HETATM   68  H   UNL     1       0.787  -0.792   1.040  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.998  -2.454   1.520  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.613  -1.636  -0.245  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.702   0.723   0.392  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.704   2.177   0.091  1.00  0.00           H  
HETATM   73  H   UNL     1       1.927   2.375  -3.913  1.00  0.00           H  
HETATM   74  H   UNL     1       4.607   2.588  -5.088  1.00  0.00           H  
HETATM   75  H   UNL     1       6.347   0.371  -3.977  1.00  0.00           H  
HETATM   76  H   UNL     1       5.618  -1.020  -1.468  1.00  0.00           H  
HETATM   77  H   UNL     1       2.717  -0.575  -0.900  1.00  0.00           H  
HETATM   78  H   UNL     1       3.570  -0.082   7.005  1.00  0.00           H  
HETATM   79  H   UNL     1       6.340   0.568   7.717  1.00  0.00           H  
HETATM   80  H   UNL     1       6.374   3.812   6.260  1.00  0.00           H  
HETATM   81  H   UNL     1       5.079   4.018   3.533  1.00  0.00           H  
HETATM   82  H   UNL     1       3.435   1.631   3.072  1.00  0.00           H  
HETATM   83  H   UNL     1       0.690  -1.899   3.257  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.365  -0.598   3.860  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.037  -2.842   5.861  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.396  -1.911   8.289  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.338   0.291   7.547  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.017   1.782   4.930  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.359   0.181   3.118  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.329   3.798  -2.935  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.316   5.274  -5.470  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.162   3.499  -7.636  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.467   1.101  -6.894  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.995   0.390  -4.099  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.285  -2.738  -4.770  1.00  0.00           H  
HETATM   96  H   UNL     1       0.549  -2.985  -7.046  1.00  0.00           H  
HETATM   97  H   UNL     1       3.348  -3.489  -6.003  1.00  0.00           H  
HETATM   98  H   UNL     1       4.027  -2.773  -3.064  1.00  0.00           H  
HETATM   99  H   UNL     1       1.578  -2.581  -1.577  1.00  0.00           H  
CONECT    1    2    6   30   68                                       
CONECT    2    1    3   32   69                                       
CONECT    3    2    4   56   70                                       
CONECT    4    3    5   44   71                                       
CONECT    5    4    6    7   72                                       
CONECT    6    1    5                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   18   18                                       
CONECT   11   10   12   12   73                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   74                                                 
CONECT   14   12   15   16   16                                       
CONECT   15   14   75                                                 
CONECT   16   14   14   17   18                                       
CONECT   17   16   76                                                 
CONECT   18   10   10   16   77                                       
CONECT   19   20   20   21   31                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   22   29                                       
CONECT   22   21   21   23   78                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   79                                                 
CONECT   25   23   23   26   27                                       
CONECT   26   25   80                                                 
CONECT   27   25   28   29   29                                       
CONECT   28   27   81                                                 
CONECT   29   21   27   27   82                                       
CONECT   30    1   31   83   84                                       
CONECT   31   19   30                                                 
CONECT   32    2   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   36   43                                       
CONECT   36   35   35   37   85                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   86                                                 
CONECT   39   37   37   40   41                                       
CONECT   40   39   87                                                 
CONECT   41   39   42   43   43                                       
CONECT   42   41   88                                                 
CONECT   43   35   41   41   89                                       
CONECT   44    4   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   48   55                                       
CONECT   48   47   47   49   90                                       
CONECT   49   48   50   51   51                                       
CONECT   50   49   91                                                 
CONECT   51   49   49   52   53                                       
CONECT   52   51   92                                                 
CONECT   53   51   54   55   55                                       
CONECT   54   53   93                                                 
CONECT   55   47   53   53   94                                       
CONECT   56    3   57                                                 
CONECT   57   56   58   58   59                                       
CONECT   58   57   57                                                 
CONECT   59   57   60   60   67                                       
CONECT   60   59   59   61   95                                       
CONECT   61   60   62   63   63                                       
CONECT   62   61   96                                                 
CONECT   63   61   61   64   65                                       
CONECT   64   63   97                                                 
CONECT   65   63   66   67   67                                       
CONECT   66   65   98                                                 
CONECT   67   59   65   65   99                                       
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73   11                                                      
CONECT   74   13                                                      
CONECT   75   15                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   22                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   36                                                      
CONECT   86   38                                                      
CONECT   87   40                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   48                                                      
CONECT   91   50                                                      
CONECT   92   52                                                      
CONECT   93   54                                                      
CONECT   94   55                                                      
CONECT   95   60                                                      
CONECT   96   62                                                      
CONECT   97   64                                                      
CONECT   98   66                                                      
CONECT   99   67                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
