COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.521   1.163   2.243  1.00  0.00           O  
HETATM    2  C   UNL     1       6.508  -0.138  -0.315  1.00  0.00           C  
HETATM    3  O   UNL     1       8.275   0.504   3.414  1.00  0.00           O  
HETATM    4  C   UNL     1       7.678   0.815   2.253  1.00  0.00           C  
HETATM    5  C   UNL     1       9.434   2.108  -1.582  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.785  -1.889  -0.104  1.00  0.00           N  
HETATM    7  C   UNL     1       8.450   0.729   0.961  1.00  0.00           C  
HETATM    8  C   UNL     1       7.506   0.987  -0.215  1.00  0.00           C  
HETATM    9  C   UNL     1       8.316   1.066  -1.511  1.00  0.00           C  
HETATM   10  C   UNL     1       8.143   2.316  -2.376  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.447   0.488   1.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.489   0.335   0.390  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.148   1.404  -0.097  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.573   1.300  -0.423  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.403   1.835   0.746  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.982   3.273   1.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.886   1.807   0.372  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.171   0.959   1.979  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.475   2.608  -0.292  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.162   3.709  -0.554  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.565   4.870  -0.740  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.393   6.094  -1.036  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.190   4.979  -0.665  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.432   3.848  -0.392  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.088   2.645  -0.202  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.028  -1.019   0.185  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.409  -1.239   0.223  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.908  -2.495   0.032  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.050  -3.566  -0.203  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.559  -4.810  -0.392  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.981  -4.944  -0.336  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.679  -3.368  -0.245  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.158  -2.096  -0.058  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.239  -2.272  -1.412  1.00  0.00           C  
HETATM   35  C   UNL     1       0.243  -1.897  -1.477  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.109  -2.605   0.985  1.00  0.00           C  
HETATM   37  C   UNL     1       0.378  -2.240   0.991  1.00  0.00           C  
HETATM   38  C   UNL     1       0.997  -2.618  -0.357  1.00  0.00           C  
HETATM   39  C   UNL     1       2.447  -2.206  -0.378  1.00  0.00           C  
HETATM   40  O   UNL     1       2.890  -0.946  -0.230  1.00  0.00           O  
HETATM   41  C   UNL     1       4.236  -0.899  -0.296  1.00  0.00           C  
HETATM   42  C   UNL     1       5.161   0.133  -0.205  1.00  0.00           C  
HETATM   43  C   UNL     1       3.479  -3.043  -0.548  1.00  0.00           C  
HETATM   44  C   UNL     1       4.690  -2.213  -0.499  1.00  0.00           C  
HETATM   45  C   UNL     1       6.054  -2.473  -0.621  1.00  0.00           C  
HETATM   46  C   UNL     1       6.955  -1.435  -0.521  1.00  0.00           C  
HETATM   47  H   UNL     1       7.739   0.574   4.216  1.00  0.00           H  
HETATM   48  H   UNL     1       9.593   2.737  -0.706  1.00  0.00           H  
HETATM   49  H   UNL     1      10.332   1.845  -2.141  1.00  0.00           H  
HETATM   50  H   UNL     1       9.243   1.477   0.962  1.00  0.00           H  
HETATM   51  H   UNL     1       8.888  -0.264   0.865  1.00  0.00           H  
HETATM   52  H   UNL     1       6.978   1.928  -0.058  1.00  0.00           H  
HETATM   53  H   UNL     1       8.479   0.118  -2.023  1.00  0.00           H  
HETATM   54  H   UNL     1       7.452   3.081  -2.023  1.00  0.00           H  
HETATM   55  H   UNL     1       8.192   2.189  -3.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.785   1.886  -1.317  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.829   0.256  -0.603  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.147   3.897   0.176  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.574   3.654   1.887  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.925   3.293   1.321  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.052   2.431  -0.507  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.186   0.783   0.151  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.478   2.188   1.204  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.765   1.339   2.810  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.469  -0.066   1.758  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.115   0.981   2.247  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.522   6.193  -2.114  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.368   5.996  -0.560  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.886   6.978  -0.648  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.709   5.934  -0.819  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.356   3.907  -0.329  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.530   1.746   0.016  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.081  -0.413   0.405  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.975  -2.658   0.063  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.435  -4.322  -1.107  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.254  -5.986  -0.503  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.337  -4.628   0.644  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.017  -4.202  -0.428  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.347  -3.348  -1.550  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.781  -1.749  -2.199  1.00  0.00           H  
HETATM   81  H   UNL     1       0.652  -2.195  -2.442  1.00  0.00           H  
HETATM   82  H   UNL     1       0.351  -0.819  -1.354  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.556  -2.324   1.938  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.217  -3.680   0.836  1.00  0.00           H  
HETATM   85  H   UNL     1       0.488  -1.168   1.154  1.00  0.00           H  
HETATM   86  H   UNL     1       0.883  -2.783   1.790  1.00  0.00           H  
HETATM   87  H   UNL     1       0.922  -3.696  -0.502  1.00  0.00           H  
HETATM   88  H   UNL     1       4.825   1.147  -0.048  1.00  0.00           H  
HETATM   89  H   UNL     1       3.431  -4.112  -0.691  1.00  0.00           H  
HETATM   90  H   UNL     1       6.403  -3.482  -0.777  1.00  0.00           H  
HETATM   91  H   UNL     1       8.013  -1.633  -0.605  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    8   46   46   42                                       
CONECT    3    4   47                                                 
CONECT    4    1    1    7    3                                       
CONECT    5    9   10   48   49                                       
CONECT    6   36   34   33                                            
CONECT    7    4    8   50   51                                       
CONECT    8    9    7    2   52                                       
CONECT    9    5   10    8   53                                       
CONECT   10    5    9   54   55                                       
CONECT   11   12   12                                                 
CONECT   12   13   11   11   26                                       
CONECT   13   19   12   14                                            
CONECT   14   15   13   56   57                                       
CONECT   15   18   17   16   14                                       
CONECT   16   15   58   59   60                                       
CONECT   17   15   61   62   63                                       
CONECT   18   15   64   65   66                                       
CONECT   19   20   20   25   13                                       
CONECT   20   21   19   19                                            
CONECT   21   22   23   23   20                                       
CONECT   22   21   67   68   69                                       
CONECT   23   21   21   24   70                                       
CONECT   24   23   25   25   71                                       
CONECT   25   24   24   19   72                                       
CONECT   26   12   33   33   27                                       
CONECT   27   26   28   28   73                                       
CONECT   28   27   27   29   74                                       
CONECT   29   32   32   28   30                                       
CONECT   30   29   31                                                 
CONECT   31   30   75   76   77                                       
CONECT   32   33   29   29   78                                       
CONECT   33    6   26   26   32                                       
CONECT   34   35    6   79   80                                       
CONECT   35   38   34   81   82                                       
CONECT   36   37    6   83   84                                       
CONECT   37   38   36   85   86                                       
CONECT   38   39   37   35   87                                       
CONECT   39   43   43   40   38                                       
CONECT   40   41   39                                                 
CONECT   41   42   42   44   40                                       
CONECT   42    2   41   41   88                                       
CONECT   43   44   39   39   89                                       
CONECT   44   45   45   41   43                                       
CONECT   45   46   44   44   90                                       
CONECT   46    2    2   45   91                                       
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
