COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.331  -0.572   0.594  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.647   0.048  -0.586  1.00  0.00           C  
HETATM    3  C   UNL     1       1.648  -1.783   1.227  1.00  0.00           C  
HETATM    4  C   UNL     1       3.838  -0.668   0.614  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.534   0.280  -1.813  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.800  -2.222  -0.550  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.588   1.479   0.048  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.726   0.821   1.548  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.302  -0.894   0.130  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.544  -0.965   0.299  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.932  -0.405   0.650  1.00  0.00           C  
HETATM   12  C   UNL     1       1.696  -0.276  -0.761  1.00  0.00           C  
HETATM   13  C   UNL     1       0.224   0.056  -0.525  1.00  0.00           C  
HETATM   14  C   UNL     1       0.200  -1.387   1.557  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.780  -1.027   0.078  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.718  -1.428   1.457  1.00  0.00           C  
HETATM   17  C   UNL     1       2.373   0.973  -1.352  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.213  -1.131   1.490  1.00  0.00           C  
HETATM   19  C   UNL     1       4.507   0.481  -0.141  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.698   0.405   0.830  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.446  -2.298  -0.713  1.00  0.00           C  
HETATM   22  C   UNL     1       4.308  -0.549   2.086  1.00  0.00           C  
HETATM   23  C   UNL     1       4.349  -1.987   0.098  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.014   2.677  -0.714  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.531   2.897   0.724  1.00  0.00           C  
HETATM   26  C   UNL     1       5.407   2.592   0.510  1.00  0.00           C  
HETATM   27  C   UNL     1       5.385   3.873   1.304  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.157   0.178  -0.624  1.00  0.00           C  
HETATM   29  C   UNL     1       1.871  -1.421  -1.751  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.999   0.348  -1.719  1.00  0.00           C  
HETATM   31  C   UNL     1       3.871   0.720  -1.504  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.116   1.587   0.051  1.00  0.00           C  
HETATM   33  O   UNL     1       4.420   1.694   0.657  1.00  0.00           O  
HETATM   34  O   UNL     1       0.013   0.435  -2.888  1.00  0.00           O  
HETATM   35  O   UNL     1       3.571  -2.832  -0.275  1.00  0.00           O  
HETATM   36  O   UNL     1       5.670  -2.225   0.054  1.00  0.00           O  
HETATM   37  O   UNL     1       6.313   2.373  -0.259  1.00  0.00           O  
HETATM   38  H   UNL     1       2.063   0.297   1.247  1.00  0.00           H  
HETATM   39  H   UNL     1       1.657  -2.640   0.568  1.00  0.00           H  
HETATM   40  H   UNL     1       2.145  -2.050   2.162  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.230  -1.931  -1.508  1.00  0.00           H  
HETATM   42  H   UNL     1       0.141  -2.746  -0.717  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.494  -2.879  -0.025  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.239   1.507   1.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.139   1.568   1.014  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.695   1.243   1.816  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.197   0.523   2.454  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.696  -0.892  -0.887  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.718  -1.742   0.674  1.00  0.00           H  
HETATM   50  H   UNL     1       0.224   1.026   0.018  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.300  -2.249   2.009  1.00  0.00           H  
HETATM   52  H   UNL     1       0.235  -0.582   2.291  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.557  -2.449   1.133  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.353  -1.383   2.503  1.00  0.00           H  
HETATM   55  H   UNL     1       1.939   1.187  -2.328  1.00  0.00           H  
HETATM   56  H   UNL     1       2.205   1.817  -0.685  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.393  -0.201   2.030  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.726  -1.941   2.021  1.00  0.00           H  
HETATM   59  H   UNL     1       5.567   0.237  -0.281  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.785   0.488   0.857  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.309   0.410   1.847  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.852  -2.216  -1.721  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.364  -2.419  -0.766  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.884  -3.162  -0.214  1.00  0.00           H  
HETATM   65  H   UNL     1       3.873  -1.358   2.673  1.00  0.00           H  
HETATM   66  H   UNL     1       5.396  -0.615   2.127  1.00  0.00           H  
HETATM   67  H   UNL     1       3.987   0.409   2.494  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.362   2.651  -1.747  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.347   3.601  -0.242  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.925   2.631  -0.697  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.155   2.915   1.747  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.116   3.738   0.169  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.619   2.970   0.736  1.00  0.00           H  
HETATM   74  H   UNL     1       5.907   3.724   2.248  1.00  0.00           H  
HETATM   75  H   UNL     1       5.878   4.661   0.735  1.00  0.00           H  
HETATM   76  H   UNL     1       4.352   4.160   1.501  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.489   0.190  -1.672  1.00  0.00           H  
HETATM   78  H   UNL     1       1.550  -2.354  -1.288  1.00  0.00           H  
HETATM   79  H   UNL     1       1.267  -1.229  -2.639  1.00  0.00           H  
HETATM   80  H   UNL     1       2.920  -1.498  -2.035  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.572   0.645  -2.588  1.00  0.00           H  
HETATM   82  H   UNL     1       4.065  -0.115  -2.170  1.00  0.00           H  
HETATM   83  H   UNL     1       4.330   1.613  -1.953  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.484   1.569  -0.973  1.00  0.00           H  
HETATM   85  H   UNL     1       5.950  -3.086  -0.285  1.00  0.00           H  
CONECT    1    3    4   12   38                                       
CONECT    2   11   28   30   30                                       
CONECT    3   14    1   39   40                                       
CONECT    4   22   23    1   19                                       
CONECT    5   13   30   34   34                                       
CONECT    6   10   41   42   43                                       
CONECT    7   28   32   24   44                                       
CONECT    8   11   45   46   47                                       
CONECT    9   15   20   48   49                                       
CONECT   10   14    6   11   13                                       
CONECT   11   16   10    8    2                                       
CONECT   12    1   13   29   17                                       
CONECT   13   10   12    5   50                                       
CONECT   14    3   10   51   52                                       
CONECT   15   18    9   21   28                                       
CONECT   16   18   11   53   54                                       
CONECT   17   12   31   55   56                                       
CONECT   18   16   15   57   58                                       
CONECT   19    4   33   31   59                                       
CONECT   20    9   32   60   61                                       
CONECT   21   15   62   63   64                                       
CONECT   22    4   65   66   67                                       
CONECT   23   35   35    4   36                                       
CONECT   24    7   68   69   70                                       
CONECT   25   32   71   72   73                                       
CONECT   26   27   33   37   37                                       
CONECT   27   26   74   75   76                                       
CONECT   28   15    2    7   77                                       
CONECT   29   12   78   79   80                                       
CONECT   30    2    2    5   81                                       
CONECT   31   19   17   82   83                                       
CONECT   32   20    7   25   84                                       
CONECT   33   26   19                                                 
CONECT   34    5    5                                                 
CONECT   35   23   23                                                 
CONECT   36   23   85                                                 
CONECT   37   26   26                                                 
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   36                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
