COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.339   2.919   1.655  1.00  0.00           C  
HETATM    2  C   UNL     1       0.146   3.931   2.576  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.549   3.686   3.719  1.00  0.00           O  
HETATM    4  C   UNL     1       0.663   5.201   2.335  1.00  0.00           C  
HETATM    5  O   UNL     1       0.472   6.195   3.244  1.00  0.00           O  
HETATM    6  C   UNL     1       1.374   5.456   1.166  1.00  0.00           C  
HETATM    7  O   UNL     1       1.878   6.698   0.935  1.00  0.00           O  
HETATM    8  C   UNL     1       1.570   4.448   0.241  1.00  0.00           C  
HETATM    9  C   UNL     1       1.053   3.172   0.480  1.00  0.00           C  
HETATM   10  C   UNL     1       1.259   2.094  -0.505  1.00  0.00           C  
HETATM   11  O   UNL     1       2.492   1.902  -1.005  1.00  0.00           O  
HETATM   12  C   UNL     1       2.762   0.938  -1.909  1.00  0.00           C  
HETATM   13  C   UNL     1       4.046   0.768  -2.403  1.00  0.00           C  
HETATM   14  C   UNL     1       4.307  -0.228  -3.332  1.00  0.00           C  
HETATM   15  O   UNL     1       5.568  -0.387  -3.810  1.00  0.00           O  
HETATM   16  C   UNL     1       3.291  -1.065  -3.777  1.00  0.00           C  
HETATM   17  C   UNL     1       2.003  -0.912  -3.297  1.00  0.00           C  
HETATM   18  O   UNL     1       1.010  -1.728  -3.731  1.00  0.00           O  
HETATM   19  C   UNL     1       1.732   0.092  -2.359  1.00  0.00           C  
HETATM   20  C   UNL     1       0.376   0.289  -1.821  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.555  -0.416  -2.177  1.00  0.00           O  
HETATM   22  C   UNL     1       0.195   1.327  -0.871  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.035   1.559  -0.336  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.085   0.666  -0.711  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.473   0.926  -2.061  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.926   2.261  -2.291  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.285   2.431  -3.769  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.162   2.535  -1.430  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.583   3.888  -1.615  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.810   2.305   0.043  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.977   2.486   0.847  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.287   0.875   0.214  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.318  -0.055  -0.126  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.314  -1.243   0.668  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.155  -2.019   0.359  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.571  -2.063   0.366  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.731  -1.311   0.730  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.530  -3.363   1.176  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.663  -4.168   0.845  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.244  -4.123   0.836  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.160  -5.302   1.638  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.038  -3.223   1.119  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.753  -3.953   0.725  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.623  -3.162   1.097  1.00  0.00           O  
HETATM   45  C   UNL     1       0.597  -3.667   0.817  1.00  0.00           C  
HETATM   46  O   UNL     1       0.697  -4.750   0.272  1.00  0.00           O  
HETATM   47  C   UNL     1       1.763  -2.935   1.158  1.00  0.00           C  
HETATM   48  C   UNL     1       2.984  -3.441   0.878  1.00  0.00           C  
HETATM   49  C   UNL     1       4.192  -2.682   1.232  1.00  0.00           C  
HETATM   50  C   UNL     1       5.458  -3.204   0.942  1.00  0.00           C  
HETATM   51  C   UNL     1       6.589  -2.486   1.277  1.00  0.00           C  
HETATM   52  O   UNL     1       7.821  -2.990   0.997  1.00  0.00           O  
HETATM   53  C   UNL     1       6.469  -1.245   1.901  1.00  0.00           C  
HETATM   54  O   UNL     1       7.583  -0.540   2.227  1.00  0.00           O  
HETATM   55  C   UNL     1       5.213  -0.726   2.188  1.00  0.00           C  
HETATM   56  C   UNL     1       4.079  -1.433   1.854  1.00  0.00           C  
HETATM   57  H   UNL     1      -0.058   1.933   1.844  1.00  0.00           H  
HETATM   58  H   UNL     1       0.001   3.388   4.457  1.00  0.00           H  
HETATM   59  H   UNL     1       1.168   6.254   3.914  1.00  0.00           H  
HETATM   60  H   UNL     1       2.742   6.854   1.340  1.00  0.00           H  
HETATM   61  H   UNL     1       2.122   4.646  -0.666  1.00  0.00           H  
HETATM   62  H   UNL     1       4.844   1.412  -2.064  1.00  0.00           H  
HETATM   63  H   UNL     1       6.110  -0.999  -3.293  1.00  0.00           H  
HETATM   64  H   UNL     1       3.507  -1.837  -4.501  1.00  0.00           H  
HETATM   65  H   UNL     1       0.899  -2.529  -3.201  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.735  -0.363  -0.624  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.136   2.964  -2.026  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.076   1.729  -4.033  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.631   3.450  -3.944  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.405   2.235  -4.381  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.966   1.859  -1.723  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.817   4.106  -2.528  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.041   3.013   0.349  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.366   3.369   0.782  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.983   0.720   1.249  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.300  -0.974   1.725  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.607  -2.296  -0.698  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.818  -0.471   0.258  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.544  -3.130   2.241  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.513  -3.748   1.035  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.253  -4.399  -0.219  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.896  -5.916   1.513  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.008  -2.981   2.181  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.709  -4.914   1.238  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.744  -4.117  -0.353  1.00  0.00           H  
HETATM   86  H   UNL     1       1.674  -1.974   1.642  1.00  0.00           H  
HETATM   87  H   UNL     1       3.072  -4.402   0.394  1.00  0.00           H  
HETATM   88  H   UNL     1       5.550  -4.166   0.460  1.00  0.00           H  
HETATM   89  H   UNL     1       8.160  -2.740   0.127  1.00  0.00           H  
HETATM   90  H   UNL     1       7.888   0.058   1.532  1.00  0.00           H  
HETATM   91  H   UNL     1       5.125   0.235   2.671  1.00  0.00           H  
HETATM   92  H   UNL     1       3.104  -1.025   2.074  1.00  0.00           H  
CONECT    1    2    2    9   57                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2   58                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4   59                                                 
CONECT    6    4    4    8    7                                       
CONECT    7    6   60                                                 
CONECT    8    9    9    6   61                                       
CONECT    9    1   10    8    8                                       
CONECT   10   22   22    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   19   11   13   13                                       
CONECT   13   12   12   14   62                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14   63                                                 
CONECT   16   17   14   14   64                                       
CONECT   17   18   19   19   16                                       
CONECT   18   17   65                                                 
CONECT   19   20   17   17   12                                       
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   10   10                                       
CONECT   23   24   22                                                 
CONECT   24   25   32   23   66                                       
CONECT   25   26   24                                                 
CONECT   26   27   28   25   67                                       
CONECT   27   26   68   69   70                                       
CONECT   28   29   26   30   71                                       
CONECT   29   28   72                                                 
CONECT   30   28   31   32   73                                       
CONECT   31   30   74                                                 
CONECT   32   33   30   24   75                                       
CONECT   33   34   32                                                 
CONECT   34   36   35   33   76                                       
CONECT   35   42   34                                                 
CONECT   36   38   37   34   77                                       
CONECT   37   36   78                                                 
CONECT   38   39   40   36   79                                       
CONECT   39   38   80                                                 
CONECT   40   41   38   42   81                                       
CONECT   41   40   82                                                 
CONECT   42   40   43   35   83                                       
CONECT   43   42   44   84   85                                       
CONECT   44   43   45                                                 
CONECT   45   46   46   44   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   48   86                                       
CONECT   48   47   47   49   87                                       
CONECT   49   48   50   50   56                                       
CONECT   50   49   49   51   88                                       
CONECT   51   50   52   53   53                                       
CONECT   52   51   89                                                 
CONECT   53   51   51   55   54                                       
CONECT   54   53   90                                                 
CONECT   55   56   56   53   91                                       
CONECT   56   49   55   55   92                                       
CONECT   57    1                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   50                                                      
CONECT   89   52                                                      
CONECT   90   54                                                      
CONECT   91   55                                                      
CONECT   92   56                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
