COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.704   1.720   0.257  1.00  0.00           O  
HETATM    2  O   UNL     1      -6.964  -1.755   0.499  1.00  0.00           O  
HETATM    3  C   UNL     1       6.424  -0.285  -1.959  1.00  0.00           C  
HETATM    4  C   UNL     1       7.749   0.237  -1.393  1.00  0.00           C  
HETATM    5  C   UNL     1       7.480   1.120  -0.174  1.00  0.00           C  
HETATM    6  C   UNL     1       6.899   0.274   0.963  1.00  0.00           C  
HETATM    7  C   UNL     1       5.634  -0.394   0.463  1.00  0.00           C  
HETATM    8  C   UNL     1       4.499  -0.394   1.192  1.00  0.00           C  
HETATM    9  C   UNL     1       3.296  -1.050   0.674  1.00  0.00           C  
HETATM   10  C   UNL     1       2.174  -1.050   1.395  1.00  0.00           C  
HETATM   11  C   UNL     1       2.083  -0.386   2.761  1.00  0.00           C  
HETATM   12  C   UNL     1       5.703  -1.044  -0.863  1.00  0.00           C  
HETATM   13  C   UNL     1       0.868   0.536   2.834  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.407  -0.158   2.327  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.159  -0.578   0.897  1.00  0.00           C  
HETATM   16  C   UNL     1       0.911  -1.699   0.914  1.00  0.00           C  
HETATM   17  C   UNL     1       0.885  -2.155  -0.547  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.636  -2.175  -0.873  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.307  -1.204   0.119  1.00  0.00           C  
HETATM   20  C   UNL     1       0.380   0.615   0.105  1.00  0.00           C  
HETATM   21  C   UNL     1       5.157  -2.239  -1.084  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.077  -0.128  -0.649  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.226  -0.778  -1.424  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.209  -1.414  -0.439  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.306  -2.145  -1.215  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.290  -2.782  -0.231  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.526  -3.682   0.742  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.314  -3.616  -1.002  1.00  0.00           C  
HETATM   29  O   UNL     1       5.621   0.814  -2.393  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.642   0.896   0.337  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.317   2.031  -0.437  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.768   3.118   0.541  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.442   4.252  -0.232  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.642   3.768  -0.839  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.781   5.394   0.728  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.493   4.764  -1.318  1.00  0.00           C  
HETATM   37  H   UNL     1       8.609   2.295   1.029  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.604  -2.086   1.143  1.00  0.00           H  
HETATM   39  H   UNL     1       6.621  -0.951  -2.799  1.00  0.00           H  
HETATM   40  H   UNL     1       8.374  -0.606  -1.098  1.00  0.00           H  
HETATM   41  H   UNL     1       8.265   0.819  -2.156  1.00  0.00           H  
HETATM   42  H   UNL     1       6.769   1.901  -0.443  1.00  0.00           H  
HETATM   43  H   UNL     1       7.622  -0.486   1.261  1.00  0.00           H  
HETATM   44  H   UNL     1       6.665   0.913   1.814  1.00  0.00           H  
HETATM   45  H   UNL     1       4.477   0.089   2.158  1.00  0.00           H  
HETATM   46  H   UNL     1       3.317  -1.533  -0.292  1.00  0.00           H  
HETATM   47  H   UNL     1       1.996  -1.155   3.529  1.00  0.00           H  
HETATM   48  H   UNL     1       2.987   0.196   2.938  1.00  0.00           H  
HETATM   49  H   UNL     1       0.717   0.845   3.868  1.00  0.00           H  
HETATM   50  H   UNL     1       1.056   1.421   2.225  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.619  -1.035   2.938  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.247   0.535   2.368  1.00  0.00           H  
HETATM   53  H   UNL     1       0.614  -2.507   1.583  1.00  0.00           H  
HETATM   54  H   UNL     1       1.407  -1.441  -1.184  1.00  0.00           H  
HETATM   55  H   UNL     1       1.315  -3.151  -0.649  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.803  -1.846  -1.899  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.036  -3.179  -0.732  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.974  -1.740   0.794  1.00  0.00           H  
HETATM   59  H   UNL     1       1.307   0.963   0.560  1.00  0.00           H  
HETATM   60  H   UNL     1       0.571   0.312  -0.924  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.355   1.420   0.116  1.00  0.00           H  
HETATM   62  H   UNL     1       5.223  -2.690  -2.063  1.00  0.00           H  
HETATM   63  H   UNL     1       4.649  -2.757  -0.284  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.405   0.372  -1.347  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.741  -0.020  -2.013  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.828  -1.546  -2.087  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.679  -2.123   0.197  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.658  -0.637   0.179  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.836  -1.436  -1.851  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.857  -2.923  -1.834  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.227  -4.135   1.444  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.012  -4.466   0.185  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.796  -3.088   1.291  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.858  -2.974  -1.695  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.800  -4.399  -1.559  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.015  -4.069  -0.300  1.00  0.00           H  
HETATM   77  H   UNL     1       4.766   0.554  -2.763  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.374   0.412   0.984  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.833   1.301   0.944  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.610   2.454  -1.150  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.183   1.641  -0.971  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.475   2.694   1.255  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.901   3.507   1.076  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.291   3.427  -0.208  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.865   5.763   1.191  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.261   6.202   0.177  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.457   5.029   1.502  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.251   3.951  -2.002  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.973   5.572  -1.869  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.578   5.133  -0.855  1.00  0.00           H  
CONECT    1    5   37                                                 
CONECT    2   26   38                                                 
CONECT    3    4   12   29   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    1    4    6   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   45                                       
CONECT    9    8   10   10   46                                       
CONECT   10    9    9   11   16                                       
CONECT   11   10   13   47   48                                       
CONECT   12    3    7   21   21                                       
CONECT   13   11   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   19   20                                       
CONECT   16   10   15   17   53                                       
CONECT   17   16   18   54   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   15   18   22   58                                       
CONECT   20   15   59   60   61                                       
CONECT   21   12   12   62   63                                       
CONECT   22   19   23   30   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26    2   25   27   28                                       
CONECT   27   26   71   72   73                                       
CONECT   28   26   74   75   76                                       
CONECT   29    3   77                                                 
CONECT   30   22   31   78   79                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   82   83                                       
CONECT   33   32   34   35   36                                       
CONECT   34   33   84                                                 
CONECT   35   33   85   86   87                                       
CONECT   36   33   88   89   90                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
