COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.932   1.386   0.285  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.198   0.904  -0.054  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.404  -0.467  -0.198  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.318   1.846  -0.260  1.00  0.00           C  
HETATM    5  C   UNL     1       4.908   0.725  -0.862  1.00  0.00           C  
HETATM    6  C   UNL     1       2.660   0.515  -2.119  1.00  0.00           C  
HETATM    7  C   UNL     1       1.391  -0.346  -0.165  1.00  0.00           C  
HETATM    8  C   UNL     1       3.475  -0.637   1.340  1.00  0.00           C  
HETATM    9  C   UNL     1       2.718   1.623   0.613  1.00  0.00           C  
HETATM   10  C   UNL     1       6.985   0.793   0.525  1.00  0.00           C  
HETATM   11  C   UNL     1       7.066   1.425  -1.905  1.00  0.00           C  
HETATM   12  C   UNL     1       7.836   0.742  -0.746  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.345  -1.352  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.558  -2.806  -0.153  1.00  0.00           C  
HETATM   15  C   UNL     1       3.613  -0.042  -1.056  1.00  0.00           C  
HETATM   16  C   UNL     1       2.779   0.140   0.240  1.00  0.00           C  
HETATM   17  C   UNL     1       5.671   0.048   0.287  1.00  0.00           C  
HETATM   18  C   UNL     1       5.746   0.687  -2.140  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.082  -0.862   0.337  1.00  0.00           C  
HETATM   20  C   UNL     1       1.282  -0.055  -1.683  1.00  0.00           C  
HETATM   21  C   UNL     1       4.846   0.021   1.569  1.00  0.00           C  
HETATM   22  C   UNL     1       0.314   0.424   0.601  1.00  0.00           C  
HETATM   23  C   UNL     1       7.747   0.132   1.675  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.879   0.503   0.473  1.00  0.00           C  
HETATM   25  C   UNL     1       6.687   2.251   0.881  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.069  -0.032   0.133  1.00  0.00           C  
HETATM   27  C   UNL     1       0.461   0.152   2.100  1.00  0.00           C  
HETATM   28  C   UNL     1       8.126  -0.714  -1.116  1.00  0.00           C  
HETATM   29  C   UNL     1       8.043  -1.326   1.319  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.143   0.825   0.808  1.00  0.00           C  
HETATM   31  C   UNL     1       8.888  -1.388   0.027  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.506   0.376   0.347  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.611   0.991   0.812  1.00  0.00           N  
HETATM   34  O   UNL     1      -9.137   3.040  -0.135  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.635  -3.576   0.017  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.777  -3.277  -0.481  1.00  0.00           O  
HETATM   37  O   UNL     1       9.159  -2.752  -0.300  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.608  -0.539  -0.443  1.00  0.00           O  
HETATM   39  O   UNL     1     -10.538   1.379  -0.587  1.00  0.00           O  
HETATM   40  H   UNL     1      -6.772   2.448   0.396  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.382  -0.843  -0.460  1.00  0.00           H  
HETATM   42  H   UNL     1       4.687   1.759  -0.598  1.00  0.00           H  
HETATM   43  H   UNL     1       2.651   1.605  -2.096  1.00  0.00           H  
HETATM   44  H   UNL     1       2.930   0.154  -3.111  1.00  0.00           H  
HETATM   45  H   UNL     1       1.295  -1.416   0.022  1.00  0.00           H  
HETATM   46  H   UNL     1       2.885  -0.593   2.256  1.00  0.00           H  
HETATM   47  H   UNL     1       3.607  -1.675   1.035  1.00  0.00           H  
HETATM   48  H   UNL     1       3.724   1.985   0.826  1.00  0.00           H  
HETATM   49  H   UNL     1       2.296   2.189  -0.217  1.00  0.00           H  
HETATM   50  H   UNL     1       2.092   1.750   1.496  1.00  0.00           H  
HETATM   51  H   UNL     1       6.859   2.461  -1.635  1.00  0.00           H  
HETATM   52  H   UNL     1       7.663   1.400  -2.817  1.00  0.00           H  
HETATM   53  H   UNL     1       8.775   1.268  -0.574  1.00  0.00           H  
HETATM   54  H   UNL     1       3.821  -1.094  -1.247  1.00  0.00           H  
HETATM   55  H   UNL     1       5.896  -0.980   0.004  1.00  0.00           H  
HETATM   56  H   UNL     1       5.953  -0.350  -2.408  1.00  0.00           H  
HETATM   57  H   UNL     1       5.198   1.169  -2.949  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.261  -1.547   0.489  1.00  0.00           H  
HETATM   59  H   UNL     1       0.498   0.679  -1.867  1.00  0.00           H  
HETATM   60  H   UNL     1       1.069  -0.976  -2.226  1.00  0.00           H  
HETATM   61  H   UNL     1       4.697   1.043   1.918  1.00  0.00           H  
HETATM   62  H   UNL     1       5.388  -0.539   2.331  1.00  0.00           H  
HETATM   63  H   UNL     1       0.428   1.492   0.413  1.00  0.00           H  
HETATM   64  H   UNL     1       8.685   0.663   1.842  1.00  0.00           H  
HETATM   65  H   UNL     1       7.142   0.169   2.581  1.00  0.00           H  
HETATM   66  H   UNL     1       6.080   2.287   1.786  1.00  0.00           H  
HETATM   67  H   UNL     1       7.624   2.782   1.051  1.00  0.00           H  
HETATM   68  H   UNL     1       6.145   2.722   0.061  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.142   0.080  -0.948  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.217  -1.078   0.402  1.00  0.00           H  
HETATM   71  H   UNL     1       1.447   0.476   2.433  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.306   0.701   2.646  1.00  0.00           H  
HETATM   73  H   UNL     1       0.347  -0.916   2.288  1.00  0.00           H  
HETATM   74  H   UNL     1       7.186  -1.240  -1.286  1.00  0.00           H  
HETATM   75  H   UNL     1       8.729  -0.746  -2.023  1.00  0.00           H  
HETATM   76  H   UNL     1       8.586  -1.798   2.138  1.00  0.00           H  
HETATM   77  H   UNL     1       7.106  -1.857   1.152  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.071   0.713   1.890  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.995   1.871   0.540  1.00  0.00           H  
HETATM   80  H   UNL     1       9.828  -0.858   0.182  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.528   1.771   1.383  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.868  -4.236  -0.568  1.00  0.00           H  
HETATM   83  H   UNL     1       9.647  -3.231   0.383  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.239   2.034  -0.712  1.00  0.00           H  
CONECT    1   24   24    2   40                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2   13   41                                       
CONECT    4   34   34    2   39                                       
CONECT    5   18   17   15   42                                       
CONECT    6   15   20   43   44                                       
CONECT    7   16   20   22   45                                       
CONECT    8   21   16   46   47                                       
CONECT    9   16   48   49   50                                       
CONECT   10   23   12   25   17                                       
CONECT   11   12   18   51   52                                       
CONECT   12   28   11   10   53                                       
CONECT   13   19   19    3   14                                       
CONECT   14   13   35   35   36                                       
CONECT   15    5    6   16   54                                       
CONECT   16   15    8    7    9                                       
CONECT   17   10    5   21   55                                       
CONECT   18   11    5   56   57                                       
CONECT   19   24   13   13   58                                       
CONECT   20    6    7   59   60                                       
CONECT   21   17    8   61   62                                       
CONECT   22    7   27   26   63                                       
CONECT   23   29   10   64   65                                       
CONECT   24   33    1    1   19                                       
CONECT   25   10   66   67   68                                       
CONECT   26   22   30   69   70                                       
CONECT   27   22   71   72   73                                       
CONECT   28   31   12   74   75                                       
CONECT   29   31   23   76   77                                       
CONECT   30   26   32   78   79                                       
CONECT   31   37   29   28   80                                       
CONECT   32   30   38   38   33                                       
CONECT   33   32   24   81                                            
CONECT   34    4    4                                                 
CONECT   35   14   14                                                 
CONECT   36   14   82                                                 
CONECT   37   31   83                                                 
CONECT   38   32   32                                                 
CONECT   39    4   84                                                 
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
