COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.186   0.430  -0.882  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.469   1.684  -0.376  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.200   2.845  -0.776  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.187   3.264   0.169  1.00  0.00           C  
HETATM    5  C   UNL     1       3.915  -3.311   0.524  1.00  0.00           C  
HETATM    6  C   UNL     1       4.584  -1.963   0.607  1.00  0.00           C  
HETATM    7  C   UNL     1       3.949  -0.838   1.012  1.00  0.00           C  
HETATM    8  C   UNL     1       2.501  -0.836   1.428  1.00  0.00           C  
HETATM    9  C   UNL     1       1.799   0.438   0.984  1.00  0.00           C  
HETATM   10  C   UNL     1       1.724   0.497  -0.543  1.00  0.00           C  
HETATM   11  C   UNL     1       0.940   1.738  -0.970  1.00  0.00           C  
HETATM   12  C   UNL     1       1.646   2.973  -0.472  1.00  0.00           C  
HETATM   13  C   UNL     1       1.871   5.333  -0.222  1.00  0.00           C  
HETATM   14  C   UNL     1       6.043  -0.201   0.551  1.00  0.00           C  
HETATM   15  C   UNL     1       5.949  -1.594   0.300  1.00  0.00           C  
HETATM   16  C   UNL     1       7.052  -2.327  -0.151  1.00  0.00           C  
HETATM   17  C   UNL     1       8.223  -1.638  -0.338  1.00  0.00           C  
HETATM   18  C   UNL     1       8.323  -0.273  -0.094  1.00  0.00           C  
HETATM   19  C   UNL     1       7.244   0.477   0.353  1.00  0.00           C  
HETATM   20  C   UNL     1      10.597  -0.465  -0.760  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.475  -0.226  -1.060  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.857  -0.316  -0.553  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.845  -0.942  -1.319  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.139  -1.025  -0.842  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.460  -0.486   0.401  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.478   0.138   1.167  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.181   0.219   0.697  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.739   1.289   3.112  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.066  -1.721   1.644  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.701  -2.164  -2.853  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.404  -0.812  -0.452  1.00  0.00           C  
HETATM   32  C   UNL     1       1.005  -0.760  -1.046  1.00  0.00           C  
HETATM   33  C   UNL     1       1.793  -1.990  -0.591  1.00  0.00           C  
HETATM   34  C   UNL     1       2.591  -3.243   1.298  1.00  0.00           C  
HETATM   35  N   UNL     1       4.815   0.221   0.977  1.00  0.00           N  
HETATM   36  N   UNL     1       1.853  -2.034   0.878  1.00  0.00           N  
HETATM   37  O   UNL     1       2.671   2.870   0.160  1.00  0.00           O  
HETATM   38  O   UNL     1       1.137   4.188  -0.732  1.00  0.00           O  
HETATM   39  O   UNL     1       9.515   0.347  -0.300  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.524   0.378  -0.320  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.194  -0.695  -2.145  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.795   0.664   2.380  1.00  0.00           O  
HETATM   43  O   UNL     1      -8.733  -0.569   0.868  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.100  -1.633  -1.587  1.00  0.00           O  
HETATM   45  H   UNL     1      -1.250   0.462  -1.970  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.405   1.651   0.712  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.911   2.464   0.318  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.704   3.499   1.118  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.697   4.151  -0.207  1.00  0.00           H  
HETATM   50  H   UNL     1       3.718  -3.560  -0.519  1.00  0.00           H  
HETATM   51  H   UNL     1       4.561  -4.069   0.967  1.00  0.00           H  
HETATM   52  H   UNL     1       2.452  -0.883   2.516  1.00  0.00           H  
HETATM   53  H   UNL     1       0.791   0.456   1.397  1.00  0.00           H  
HETATM   54  H   UNL     1       2.355   1.301   1.349  1.00  0.00           H  
HETATM   55  H   UNL     1       2.731   0.532  -0.958  1.00  0.00           H  
HETATM   56  H   UNL     1       0.874   1.771  -2.057  1.00  0.00           H  
HETATM   57  H   UNL     1       1.353   6.250  -0.502  1.00  0.00           H  
HETATM   58  H   UNL     1       1.936   5.268   0.864  1.00  0.00           H  
HETATM   59  H   UNL     1       2.875   5.339  -0.647  1.00  0.00           H  
HETATM   60  H   UNL     1       6.984  -3.388  -0.343  1.00  0.00           H  
HETATM   61  H   UNL     1       9.095  -2.172  -0.686  1.00  0.00           H  
HETATM   62  H   UNL     1       7.331   1.538   0.539  1.00  0.00           H  
HETATM   63  H   UNL     1      10.332  -0.915  -1.717  1.00  0.00           H  
HETATM   64  H   UNL     1      11.487   0.152  -0.883  1.00  0.00           H  
HETATM   65  H   UNL     1      10.797  -1.251  -0.032  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.596  -1.360  -2.284  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.420   0.703   1.291  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.126   1.665   4.059  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.950   0.562   3.305  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.335   2.118   2.530  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.427  -1.762   2.527  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.109  -1.663   1.954  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.915  -2.619   1.045  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.561  -2.620  -3.343  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.312  -1.359  -3.477  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.926  -2.915  -2.704  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.339  -0.842   0.635  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.916  -1.705  -0.810  1.00  0.00           H  
HETATM   79  H   UNL     1       0.944  -0.746  -2.134  1.00  0.00           H  
HETATM   80  H   UNL     1       1.303  -2.891  -0.961  1.00  0.00           H  
HETATM   81  H   UNL     1       2.805  -1.941  -0.993  1.00  0.00           H  
HETATM   82  H   UNL     1       1.994  -4.129   1.080  1.00  0.00           H  
HETATM   83  H   UNL     1       2.795  -3.193   2.368  1.00  0.00           H  
HETATM   84  H   UNL     1       4.591   1.134   1.218  1.00  0.00           H  
CONECT    1   40   31    2   45                                       
CONECT    2    1    3   11   46                                       
CONECT    3    4    2                                                 
CONECT    4    3   47   48   49                                       
CONECT    5   34    6   50   51                                       
CONECT    6    5    7    7   15                                       
CONECT    7    8    6    6   35                                       
CONECT    8   36    9    7   52                                       
CONECT    9   10    8   53   54                                       
CONECT   10   32   11    9   55                                       
CONECT   11    2   10   12   56                                       
CONECT   12   11   37   37   38                                       
CONECT   13   38   57   58   59                                       
CONECT   14   35   15   15   19                                       
CONECT   15    6   14   14   16                                       
CONECT   16   15   17   17   60                                       
CONECT   17   16   16   18   61                                       
CONECT   18   19   19   17   39                                       
CONECT   19   14   18   18   62                                       
CONECT   20   39   63   64   65                                       
CONECT   21   22   41   41   40                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   66                                       
CONECT   24   25   44   23   23                                       
CONECT   25   43   26   26   24                                       
CONECT   26   42   25   25   27                                       
CONECT   27   26   22   22   67                                       
CONECT   28   42   68   69   70                                       
CONECT   29   43   71   72   73                                       
CONECT   30   44   74   75   76                                       
CONECT   31    1   32   77   78                                       
CONECT   32   31   33   10   79                                       
CONECT   33   32   36   80   81                                       
CONECT   34   36    5   82   83                                       
CONECT   35    7   14   84                                            
CONECT   36   33   34    8                                            
CONECT   37   12   12                                                 
CONECT   38   12   13                                                 
CONECT   39   18   20                                                 
CONECT   40   21    1                                                 
CONECT   41   21   21                                                 
CONECT   42   28   26                                                 
CONECT   43   29   25                                                 
CONECT   44   24   30                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
