COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.061   3.776  -0.202  1.00  0.00           C  
HETATM    2  C   UNL     1       6.105  -0.801   1.468  1.00  0.00           C  
HETATM    3  C   UNL     1       5.860  -2.156  -1.221  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.769   3.658   1.078  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.446   1.714  -1.707  1.00  0.00           C  
HETATM    6  C   UNL     1       0.677   1.467   0.490  1.00  0.00           C  
HETATM    7  C   UNL     1       6.727  -2.127   1.095  1.00  0.00           C  
HETATM    8  C   UNL     1       6.044  -2.986   0.056  1.00  0.00           C  
HETATM    9  C   UNL     1       1.403   4.497   0.090  1.00  0.00           C  
HETATM   10  C   UNL     1       0.121   0.306  -1.958  1.00  0.00           C  
HETATM   11  C   UNL     1       7.839  -2.525   1.662  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.051   2.925   0.780  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.323   1.803   1.400  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.093   5.057   1.606  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.528  -3.235   0.611  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.605   1.070   1.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.848  -1.795   1.020  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.544  -3.225  -0.560  1.00  0.00           C  
HETATM   19  C   UNL     1       2.408   1.288  -1.642  1.00  0.00           C  
HETATM   20  C   UNL     1       3.587   0.922  -1.153  1.00  0.00           C  
HETATM   21  C   UNL     1       1.824   2.648  -1.399  1.00  0.00           C  
HETATM   22  C   UNL     1       1.552   0.357  -2.489  1.00  0.00           C  
HETATM   23  C   UNL     1       4.110  -0.426  -1.424  1.00  0.00           C  
HETATM   24  C   UNL     1       2.529   3.523  -0.359  1.00  0.00           C  
HETATM   25  C   UNL     1       5.238  -0.829  -0.848  1.00  0.00           C  
HETATM   26  C   UNL     1       0.455   2.396  -0.705  1.00  0.00           C  
HETATM   27  C   UNL     1       5.921   0.030   0.191  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.255  -2.517  -0.138  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.575  -1.078   0.271  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.168  -2.485  -1.745  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.199  -0.337  -0.913  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.488  -1.046  -1.336  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.559  -1.087   1.443  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.286  -0.370   0.693  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.472  -1.055  -0.164  1.00  0.00           C  
HETATM   36  O   UNL     1       6.852  -4.130  -0.228  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.703  -1.061   1.799  1.00  0.00           O  
HETATM   38  O   UNL     1       4.835  -1.023   2.083  1.00  0.00           O  
HETATM   39  H   UNL     1      -0.499   4.314  -0.967  1.00  0.00           H  
HETATM   40  H   UNL     1       6.761  -0.270   2.158  1.00  0.00           H  
HETATM   41  H   UNL     1       6.829  -1.987  -1.691  1.00  0.00           H  
HETATM   42  H   UNL     1       5.204  -2.687  -1.911  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.202   3.109   1.829  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.458   2.279  -2.639  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.457   1.640  -1.306  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.278   1.267   0.977  1.00  0.00           H  
HETATM   47  H   UNL     1       1.113   0.530   0.146  1.00  0.00           H  
HETATM   48  H   UNL     1       1.353   1.943   1.200  1.00  0.00           H  
HETATM   49  H   UNL     1       5.070  -3.306   0.428  1.00  0.00           H  
HETATM   50  H   UNL     1       1.461   5.425  -0.480  1.00  0.00           H  
HETATM   51  H   UNL     1       1.491   4.706   1.156  1.00  0.00           H  
HETATM   52  H   UNL     1       0.109  -0.253  -1.022  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.510  -0.207  -2.684  1.00  0.00           H  
HETATM   54  H   UNL     1       8.319  -1.904   2.404  1.00  0.00           H  
HETATM   55  H   UNL     1       8.275  -3.474   1.389  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.745   3.323   0.055  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.629   1.405   2.125  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.684   4.973   2.518  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.166   5.588   1.822  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.660   5.607   0.855  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.083  -3.762   1.455  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.446  -3.739   0.310  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.235   1.063   1.992  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.130   1.571   0.289  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.549  -1.802   1.855  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.317  -4.251  -0.852  1.00  0.00           H  
HETATM   67  H   UNL     1       4.163   1.615  -0.556  1.00  0.00           H  
HETATM   68  H   UNL     1       1.701   3.188  -2.338  1.00  0.00           H  
HETATM   69  H   UNL     1       1.980  -0.645  -2.465  1.00  0.00           H  
HETATM   70  H   UNL     1       1.540   0.717  -3.518  1.00  0.00           H  
HETATM   71  H   UNL     1       3.577  -1.087  -2.091  1.00  0.00           H  
HETATM   72  H   UNL     1       3.355   4.071  -0.812  1.00  0.00           H  
HETATM   73  H   UNL     1       2.876   2.921   0.480  1.00  0.00           H  
HETATM   74  H   UNL     1       5.305   0.902   0.408  1.00  0.00           H  
HETATM   75  H   UNL     1       6.894   0.349  -0.181  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.811  -3.045   0.706  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.554  -2.510  -0.973  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.468  -2.478  -2.579  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.087  -2.989  -2.046  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.427   0.688  -0.622  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.498  -0.331  -1.748  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.933  -0.518  -2.179  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.786  -0.062   1.734  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.114  -1.615   2.286  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.585  -0.363  -0.141  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.390  -1.559  -0.465  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.700  -0.030   0.127  1.00  0.00           H  
HETATM   88  H   UNL     1       7.009  -4.700   0.536  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.272  -1.106   2.580  1.00  0.00           H  
HETATM   90  H   UNL     1       4.876  -1.554   2.890  1.00  0.00           H  
CONECT    1    4    9   26   39                                       
CONECT    2    7   27   38   40                                       
CONECT    3    8   25   41   42                                       
CONECT    4    1   12   14   43                                       
CONECT    5   10   26   44   45                                       
CONECT    6   26   46   47   48                                       
CONECT    7    2    8   11   11                                       
CONECT    8    3    7   36   49                                       
CONECT    9    1   24   50   51                                       
CONECT   10    5   22   52   53                                       
CONECT   11    7    7   54   55                                       
CONECT   12    4   13   13   56                                       
CONECT   13   12   12   16   57                                       
CONECT   14    4   58   59   60                                       
CONECT   15   17   18   61   62                                       
CONECT   16   13   34   63   64                                       
CONECT   17   15   33   35   65                                       
CONECT   18   15   28   30   66                                       
CONECT   19   20   20   21   22                                       
CONECT   20   19   19   23   67                                       
CONECT   21   19   24   26   68                                       
CONECT   22   10   19   69   70                                       
CONECT   23   20   25   25   71                                       
CONECT   24    9   21   72   73                                       
CONECT   25    3   23   23   27                                       
CONECT   26    1    5    6   21                                       
CONECT   27    2   25   74   75                                       
CONECT   28   18   29   76   77                                       
CONECT   29   28   31   33   34                                       
CONECT   30   18   32   78   79                                       
CONECT   31   29   32   80   81                                       
CONECT   32   30   31   35   82                                       
CONECT   33   17   29   83   84                                       
CONECT   34   16   29   37   85                                       
CONECT   35   17   32   86   87                                       
CONECT   36    8   88                                                 
CONECT   37   34   89                                                 
CONECT   38    2   90                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
