COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.512  -0.714   2.469  1.00  0.00           O  
HETATM    2  C   UNL     1       5.425  -0.843   1.377  1.00  0.00           C  
HETATM    3  C   UNL     1       6.386   0.347   1.373  1.00  0.00           C  
HETATM    4  C   UNL     1       7.345   0.225   0.186  1.00  0.00           C  
HETATM    5  C   UNL     1       6.221  -2.141   1.528  1.00  0.00           C  
HETATM    6  C   UNL     1       6.984  -2.120   2.854  1.00  0.00           C  
HETATM    7  C   UNL     1       4.645  -0.873   0.061  1.00  0.00           C  
HETATM    8  C   UNL     1       3.781   0.385  -0.048  1.00  0.00           C  
HETATM    9  C   UNL     1       4.614   1.527  -0.633  1.00  0.00           C  
HETATM   10  C   UNL     1       3.784   2.812  -0.642  1.00  0.00           C  
HETATM   11  C   UNL     1       4.580   3.929  -1.320  1.00  0.00           C  
HETATM   12  C   UNL     1       3.749   5.214  -1.329  1.00  0.00           C  
HETATM   13  C   UNL     1       2.586   0.105  -0.962  1.00  0.00           C  
HETATM   14  C   UNL     1       3.086  -0.432  -2.305  1.00  0.00           C  
HETATM   15  C   UNL     1       1.674  -0.933  -0.306  1.00  0.00           C  
HETATM   16  C   UNL     1       1.205  -0.434   1.086  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.350  -0.435   1.048  1.00  0.00           C  
HETATM   18  C   UNL     1       0.399  -1.104  -1.117  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.661  -1.467  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1       0.027   0.234  -1.758  1.00  0.00           C  
HETATM   21  C   UNL     1       0.359  -2.181  -2.177  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.988  -2.060  -2.909  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.169  -2.221  -1.954  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.990  -1.344  -0.722  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.943  -0.528  -0.286  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.228  -0.449  -0.998  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.215   0.292  -0.507  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.578   0.288  -1.162  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.998   1.149   0.719  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.050   0.774   1.770  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.027   1.728   2.834  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.411   0.775   1.112  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.385   1.505   1.597  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.627  -0.085  -0.106  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.489  -1.462   0.249  1.00  0.00           O  
HETATM   36  H   UNL     1       3.872  -1.436   2.534  1.00  0.00           H  
HETATM   37  H   UNL     1       5.818   1.273   1.287  1.00  0.00           H  
HETATM   38  H   UNL     1       6.957   0.357   2.302  1.00  0.00           H  
HETATM   39  H   UNL     1       7.968   1.117   0.130  1.00  0.00           H  
HETATM   40  H   UNL     1       7.977  -0.653   0.319  1.00  0.00           H  
HETATM   41  H   UNL     1       6.771   0.124  -0.735  1.00  0.00           H  
HETATM   42  H   UNL     1       5.537  -2.990   1.516  1.00  0.00           H  
HETATM   43  H   UNL     1       6.928  -2.231   0.703  1.00  0.00           H  
HETATM   44  H   UNL     1       7.614  -1.231   2.897  1.00  0.00           H  
HETATM   45  H   UNL     1       6.275  -2.103   3.681  1.00  0.00           H  
HETATM   46  H   UNL     1       7.608  -3.010   2.928  1.00  0.00           H  
HETATM   47  H   UNL     1       5.344  -0.908  -0.775  1.00  0.00           H  
HETATM   48  H   UNL     1       4.006  -1.756   0.038  1.00  0.00           H  
HETATM   49  H   UNL     1       3.423   0.667   0.942  1.00  0.00           H  
HETATM   50  H   UNL     1       5.506   1.675  -0.024  1.00  0.00           H  
HETATM   51  H   UNL     1       4.908   1.277  -1.653  1.00  0.00           H  
HETATM   52  H   UNL     1       2.857   2.642  -1.191  1.00  0.00           H  
HETATM   53  H   UNL     1       3.552   3.102   0.382  1.00  0.00           H  
HETATM   54  H   UNL     1       5.506   4.099  -0.772  1.00  0.00           H  
HETATM   55  H   UNL     1       4.812   3.639  -2.345  1.00  0.00           H  
HETATM   56  H   UNL     1       4.316   6.010  -1.812  1.00  0.00           H  
HETATM   57  H   UNL     1       2.823   5.044  -1.877  1.00  0.00           H  
HETATM   58  H   UNL     1       3.517   5.503  -0.304  1.00  0.00           H  
HETATM   59  H   UNL     1       2.029   1.028  -1.125  1.00  0.00           H  
HETATM   60  H   UNL     1       3.644  -1.354  -2.143  1.00  0.00           H  
HETATM   61  H   UNL     1       2.235  -0.631  -2.956  1.00  0.00           H  
HETATM   62  H   UNL     1       3.736   0.308  -2.773  1.00  0.00           H  
HETATM   63  H   UNL     1       2.194  -1.887  -0.211  1.00  0.00           H  
HETATM   64  H   UNL     1       1.561  -1.109   1.865  1.00  0.00           H  
HETATM   65  H   UNL     1       1.575   0.575   1.267  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.759  -0.749   2.009  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.730   0.548   0.768  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.504  -2.479   0.336  1.00  0.00           H  
HETATM   69  H   UNL     1       0.123   1.030  -1.020  1.00  0.00           H  
HETATM   70  H   UNL     1       0.695   0.434  -2.596  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.002   0.192  -2.115  1.00  0.00           H  
HETATM   72  H   UNL     1       1.178  -2.036  -2.882  1.00  0.00           H  
HETATM   73  H   UNL     1       0.441  -3.162  -1.711  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.047  -1.082  -3.386  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.046  -2.832  -3.676  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.087  -1.936  -2.467  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.240  -3.263  -1.643  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.775   0.078   0.593  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.368  -0.993  -1.921  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.796   1.279  -1.560  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.594  -0.443  -1.970  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.000   0.968   1.119  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.101   2.201   0.453  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.835  -0.219   2.165  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.669   1.552   3.535  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.219   2.114   2.473  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.354   1.498   1.119  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.624   0.094  -0.508  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.118  -1.760   0.921  1.00  0.00           H  
CONECT    1    2   36                                                 
CONECT    2    3    5    7    1                                       
CONECT    3    4    2   37   38                                       
CONECT    4    3   39   40   41                                       
CONECT    5    6    2   42   43                                       
CONECT    6    5   44   45   46                                       
CONECT    7    2    8   47   48                                       
CONECT    8    7   13    9   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   56   57   58                                       
CONECT   13   15    8   14   59                                       
CONECT   14   13   60   61   62                                       
CONECT   15   16   13   18   63                                       
CONECT   16   17   15   64   65                                       
CONECT   17   16   19   66   67                                       
CONECT   18   20   19   15   21                                       
CONECT   19   17   24   18   68                                       
CONECT   20   18   69   70   71                                       
CONECT   21   18   22   72   73                                       
CONECT   22   23   21   74   75                                       
CONECT   23   24   22   76   77                                       
CONECT   24   25   25   19   23                                       
CONECT   25   26   24   24   78                                       
CONECT   26   27   27   25   79                                       
CONECT   27   29   28   26   26                                       
CONECT   28   34   27   80   81                                       
CONECT   29   30   27   82   83                                       
CONECT   30   31   32   29   84                                       
CONECT   31   30   85                                                 
CONECT   32   33   33   30   34                                       
CONECT   33   32   32   86   87                                       
CONECT   34   32   28   35   88                                       
CONECT   35   34   89                                                 
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
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   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
