COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.333  -0.178  -0.632  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.905   0.378   0.572  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.681   0.078   1.087  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.834  -0.806   0.396  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.270  -1.372  -0.828  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.540  -1.038  -1.328  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.423  -2.255  -1.519  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.199  -2.555  -1.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.771  -1.999   0.200  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.564  -1.140   0.896  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.409  -2.355   0.739  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.374  -1.364   0.204  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.992  -1.725   0.751  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.956  -0.734   0.216  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.574  -1.095   0.763  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.583  -0.146   0.250  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.287  -0.269   0.602  1.00  0.00           C  
HETATM   18  O   UNL     1       0.044  -1.107   1.413  1.00  0.00           O  
HETATM   19  C   UNL     1       0.749   0.636  -0.013  1.00  0.00           C  
HETATM   20  O   UNL     1       2.053   0.197   0.373  1.00  0.00           O  
HETATM   21  C   UNL     1       3.085   0.561  -0.547  1.00  0.00           C  
HETATM   22  C   UNL     1       4.409  -0.062  -0.101  1.00  0.00           C  
HETATM   23  C   UNL     1       5.513   0.327  -1.086  1.00  0.00           C  
HETATM   24  C   UNL     1       6.838  -0.296  -0.639  1.00  0.00           C  
HETATM   25  C   UNL     1       7.942   0.093  -1.624  1.00  0.00           C  
HETATM   26  C   UNL     1       9.246  -0.521  -1.185  1.00  0.00           C  
HETATM   27  C   UNL     1       9.598  -1.788  -1.646  1.00  0.00           C  
HETATM   28  C   UNL     1      10.769  -2.370  -1.268  1.00  0.00           C  
HETATM   29  C   UNL     1      11.638  -1.687  -0.401  1.00  0.00           C  
HETATM   30  C   UNL     1      11.280  -0.398   0.068  1.00  0.00           C  
HETATM   31  C   UNL     1      10.065   0.173  -0.347  1.00  0.00           C  
HETATM   32  C   UNL     1      12.149   0.285   0.936  1.00  0.00           C  
HETATM   33  C   UNL     1      13.319  -0.298   1.314  1.00  0.00           C  
HETATM   34  C   UNL     1      13.671  -1.565   0.853  1.00  0.00           C  
HETATM   35  C   UNL     1      12.855  -2.257   0.011  1.00  0.00           C  
HETATM   36  C   UNL     1       0.529   2.069   0.474  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.785   2.499   0.110  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.873   3.045  -1.208  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.264   3.575  -1.439  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.095   3.494  -0.566  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.581   4.138  -2.616  1.00  0.00           O  
HETATM   42  C   UNL     1       0.676   2.119   1.973  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.282   2.368   2.666  1.00  0.00           O  
HETATM   44  O   UNL     1       1.871   1.886   2.538  1.00  0.00           O  
HETATM   45  H   UNL     1     -14.310   0.074  -1.016  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.554   1.058   1.105  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.362   0.517   2.021  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.885  -1.461  -2.260  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.742  -2.694  -2.453  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.550  -3.234  -1.537  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.219  -0.717   1.828  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.426  -2.310   1.828  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.145  -3.364   0.421  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.357  -1.409  -0.885  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.639  -0.355   0.521  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.009  -1.680   1.840  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.727  -2.734   0.433  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.939  -0.779  -0.873  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.221   0.275   0.534  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.591  -1.050   1.852  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.310  -2.103   0.445  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.859   0.571  -0.342  1.00  0.00           H  
HETATM   63  H   UNL     1       0.662   0.603  -1.099  1.00  0.00           H  
HETATM   64  H   UNL     1       2.829   0.197  -1.542  1.00  0.00           H  
HETATM   65  H   UNL     1       3.184   1.646  -0.571  1.00  0.00           H  
HETATM   66  H   UNL     1       4.665   0.301   0.894  1.00  0.00           H  
HETATM   67  H   UNL     1       4.310  -1.148  -0.076  1.00  0.00           H  
HETATM   68  H   UNL     1       5.258  -0.037  -2.081  1.00  0.00           H  
HETATM   69  H   UNL     1       5.613   1.412  -1.110  1.00  0.00           H  
HETATM   70  H   UNL     1       7.093   0.068   0.356  1.00  0.00           H  
HETATM   71  H   UNL     1       6.739  -1.382  -0.615  1.00  0.00           H  
HETATM   72  H   UNL     1       7.686  -0.271  -2.619  1.00  0.00           H  
HETATM   73  H   UNL     1       8.041   1.178  -1.648  1.00  0.00           H  
HETATM   74  H   UNL     1       8.932  -2.315  -2.313  1.00  0.00           H  
HETATM   75  H   UNL     1      11.029  -3.353  -1.633  1.00  0.00           H  
HETATM   76  H   UNL     1       9.781   1.156  -0.001  1.00  0.00           H  
HETATM   77  H   UNL     1      11.889   1.268   1.301  1.00  0.00           H  
HETATM   78  H   UNL     1      13.985   0.229   1.981  1.00  0.00           H  
HETATM   79  H   UNL     1      14.606  -2.005   1.168  1.00  0.00           H  
HETATM   80  H   UNL     1      13.141  -3.238  -0.338  1.00  0.00           H  
HETATM   81  H   UNL     1       1.267   2.727   0.014  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.153   3.856  -1.314  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.654   2.267  -1.939  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.486   4.463  -2.718  1.00  0.00           H  
HETATM   85  H   UNL     1       1.916   1.929   3.503  1.00  0.00           H  
CONECT    1    2    2    6   45                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   48                                       
CONECT    7    5    8    8   49                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   10   10   11                                       
CONECT   10    4    9    9   51                                       
CONECT   11    9   12   52   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   16   60   61                                       
CONECT   16   15   17   62                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   36   63                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   66   67                                       
CONECT   23   22   24   68   69                                       
CONECT   24   23   25   70   71                                       
CONECT   25   24   26   72   73                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   74                                       
CONECT   28   27   29   29   75                                       
CONECT   29   28   28   30   35                                       
CONECT   30   29   31   31   32                                       
CONECT   31   26   30   30   76                                       
CONECT   32   30   33   33   77                                       
CONECT   33   32   32   34   78                                       
CONECT   34   33   35   35   79                                       
CONECT   35   29   34   34   80                                       
CONECT   36   19   37   42   81                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   82   83                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   84                                                 
CONECT   42   36   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   85                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   41                                                      
CONECT   85   44                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
