COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.678   2.909   0.845  1.00  0.00           C  
HETATM    2  C   UNL     1       3.991   2.984  -0.108  1.00  0.00           C  
HETATM    3  C   UNL     1       5.857   3.724   1.198  1.00  0.00           C  
HETATM    4  C   UNL     1       3.663   3.684   2.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.766   0.540  -0.886  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.622  -2.065   2.534  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.531  -1.905   3.970  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.784  -2.704   1.727  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.916   2.069  -1.044  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.878  -0.475   1.774  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.369  -0.249   1.658  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.144  -1.885   2.303  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.099   1.200   1.249  1.00  0.00           C  
HETATM   14  C   UNL     1       1.409   1.460   1.254  1.00  0.00           C  
HETATM   15  C   UNL     1       3.359   0.226   0.474  1.00  0.00           C  
HETATM   16  C   UNL     1       3.151   3.200   0.969  1.00  0.00           C  
HETATM   17  C   UNL     1       5.344   3.245   0.007  1.00  0.00           C  
HETATM   18  C   UNL     1       5.017   3.941   2.274  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.795   0.025   0.356  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.174  -1.745   3.760  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.336  -2.383   2.953  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.427  -2.544   1.517  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.874   1.215  -2.959  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.452  -0.036  -2.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.947  -0.346  -4.456  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.379  -0.680  -3.053  1.00  0.00           C  
HETATM   27  C   UNL     1       4.032  -0.705  -0.502  1.00  0.00           C  
HETATM   28  C   UNL     1       7.682  -3.385  -2.481  1.00  0.00           C  
HETATM   29  C   UNL     1       7.624  -2.031  -2.756  1.00  0.00           C  
HETATM   30  C   UNL     1       6.858  -1.196  -1.964  1.00  0.00           C  
HETATM   31  C   UNL     1       6.147  -1.718  -0.893  1.00  0.00           C  
HETATM   32  C   UNL     1       6.207  -3.077  -0.620  1.00  0.00           C  
HETATM   33  C   UNL     1       6.970  -3.908  -1.418  1.00  0.00           C  
HETATM   34  C   UNL     1       6.796   0.279  -2.264  1.00  0.00           C  
HETATM   35  C   UNL     1       5.436  -3.647   0.543  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.497  -0.322   0.455  1.00  0.00           N  
HETATM   37  N   UNL     1       2.063   0.555   0.306  1.00  0.00           N  
HETATM   38  O   UNL     1      -0.618   1.429  -0.062  1.00  0.00           O  
HETATM   39  O   UNL     1       3.984   0.678   1.410  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.452   0.212   1.361  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.364   0.165  -0.856  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.036   2.283  -2.465  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.542   0.954  -4.329  1.00  0.00           O  
HETATM   44  O   UNL     1       5.394  -0.899  -0.113  1.00  0.00           O  
HETATM   45  H   UNL     1       1.363   3.060  -0.187  1.00  0.00           H  
HETATM   46  H   UNL     1       1.119   3.580   1.497  1.00  0.00           H  
HETATM   47  H   UNL     1       3.591   2.606  -1.037  1.00  0.00           H  
HETATM   48  H   UNL     1       6.914   3.924   1.289  1.00  0.00           H  
HETATM   49  H   UNL     1       3.007   3.854   2.999  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.272   0.199   0.017  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.963  -1.654   4.927  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.413  -3.077   0.932  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.812   2.418  -0.531  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.034   2.579  -0.657  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.302   0.257   2.462  1.00  0.00           H  
HETATM   56  H   UNL     1       0.104  -0.449   2.620  1.00  0.00           H  
HETATM   57  H   UNL     1       0.042  -0.922   0.905  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.609  -2.028   3.242  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.798  -2.618   1.574  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.586   1.873   1.955  1.00  0.00           H  
HETATM   61  H   UNL     1       1.804   1.285   2.255  1.00  0.00           H  
HETATM   62  H   UNL     1       6.000   3.076  -0.834  1.00  0.00           H  
HETATM   63  H   UNL     1       5.418   4.310   3.207  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.545  -1.371   4.554  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.396  -2.506   3.116  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.995  -2.793   0.559  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.933   1.442  -2.836  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.285  -0.699  -1.904  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.146  -0.334  -5.195  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.710  -1.071  -4.738  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.405  -0.215  -2.903  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.326  -1.758  -2.898  1.00  0.00           H  
HETATM   73  H   UNL     1       3.515  -1.665  -0.505  1.00  0.00           H  
HETATM   74  H   UNL     1       3.998  -0.271  -1.501  1.00  0.00           H  
HETATM   75  H   UNL     1       8.281  -4.035  -3.101  1.00  0.00           H  
HETATM   76  H   UNL     1       8.178  -1.625  -3.589  1.00  0.00           H  
HETATM   77  H   UNL     1       7.016  -4.966  -1.205  1.00  0.00           H  
HETATM   78  H   UNL     1       5.973   0.476  -2.951  1.00  0.00           H  
HETATM   79  H   UNL     1       6.637   0.831  -1.338  1.00  0.00           H  
HETATM   80  H   UNL     1       7.734   0.597  -2.720  1.00  0.00           H  
HETATM   81  H   UNL     1       4.441  -3.943   0.208  1.00  0.00           H  
HETATM   82  H   UNL     1       5.961  -4.517   0.936  1.00  0.00           H  
HETATM   83  H   UNL     1       5.346  -2.892   1.324  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.972  -0.472  -0.347  1.00  0.00           H  
HETATM   85  H   UNL     1       1.564   0.193  -0.443  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.228   0.863  -0.743  1.00  0.00           H  
CONECT    1   16   14   45   46                                       
CONECT    2   17   17   16   47                                       
CONECT    3   17   18   18   48                                       
CONECT    4   16   16   18   49                                       
CONECT    5   41    9   24   50                                       
CONECT    6   12   22   22   20                                       
CONECT    7   20   20   21   51                                       
CONECT    8   22   21   21   52                                       
CONECT    9    5   42   53   54                                       
CONECT   10   11   36   12   55                                       
CONECT   11   13   10   56   57                                       
CONECT   12   10    6   58   59                                       
CONECT   13   38   14   11   60                                       
CONECT   14    1   37   13   61                                       
CONECT   15   37   27   39   39                                       
CONECT   16    2    1    4    4                                       
CONECT   17    2    2    3   62                                       
CONECT   18    3    3    4   63                                       
CONECT   19   36   41   40   40                                       
CONECT   20    6    7    7   64                                       
CONECT   21    8    8    7   65                                       
CONECT   22    6    6    8   66                                       
CONECT   23   42   43   24   67                                       
CONECT   24    5   23   26   68                                       
CONECT   25   43   26   69   70                                       
CONECT   26   25   24   71   72                                       
CONECT   27   44   15   73   74                                       
CONECT   28   33   33   29   75                                       
CONECT   29   28   30   30   76                                       
CONECT   30   29   29   31   34                                       
CONECT   31   32   32   30   44                                       
CONECT   32   33   35   31   31                                       
CONECT   33   28   28   32   77                                       
CONECT   34   30   78   79   80                                       
CONECT   35   32   81   82   83                                       
CONECT   36   10   19   84                                            
CONECT   37   14   15   85                                            
CONECT   38   13   86                                                 
CONECT   39   15   15                                                 
CONECT   40   19   19                                                 
CONECT   41   19    5                                                 
CONECT   42    9   23                                                 
CONECT   43   23   25                                                 
CONECT   44   31   27                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
