COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.526   1.645  -0.628  1.00  0.00           C  
HETATM    2  C   UNL     1       5.027   0.521   0.277  1.00  0.00           C  
HETATM    3  O   UNL     1       6.387   0.776   0.633  1.00  0.00           O  
HETATM    4  C   UNL     1       4.939  -0.829  -0.432  1.00  0.00           C  
HETATM    5  C   UNL     1       4.151  -0.851  -1.747  1.00  0.00           C  
HETATM    6  O   UNL     1       6.049  -1.724  -0.314  1.00  0.00           O  
HETATM    7  C   UNL     1       4.887  -2.084   0.443  1.00  0.00           C  
HETATM    8  C   UNL     1       4.057  -3.243  -0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       2.882  -3.466   0.487  1.00  0.00           C  
HETATM   10  C   UNL     1       2.052  -4.638   0.020  1.00  0.00           C  
HETATM   11  C   UNL     1       2.631  -5.936   0.588  1.00  0.00           C  
HETATM   12  C   UNL     1       0.615  -4.453   0.523  1.00  0.00           C  
HETATM   13  C   UNL     1       0.133  -3.053   0.150  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.235  -5.455  -0.074  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.498  -5.210  -0.383  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.148  -6.126  -0.829  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.185  -3.893  -0.225  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.334  -2.908   0.569  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.802  -1.477   0.295  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715  -0.528   0.734  1.00  0.00           C  
HETATM   21  C   UNL     1       0.133  -0.028  -0.162  1.00  0.00           C  
HETATM   22  C   UNL     1       1.211   0.872   0.278  1.00  0.00           C  
HETATM   23  O   UNL     1       1.291   1.195   1.447  1.00  0.00           O  
HETATM   24  O   UNL     1       2.111   1.338  -0.611  1.00  0.00           O  
HETATM   25  C   UNL     1       3.189   2.167  -0.094  1.00  0.00           C  
HETATM   26  C   UNL     1       2.984   3.613  -0.550  1.00  0.00           C  
HETATM   27  C   UNL     1       4.213   4.445  -0.174  1.00  0.00           C  
HETATM   28  C   UNL     1       1.746   4.194   0.136  1.00  0.00           C  
HETATM   29  O   UNL     1       1.652   5.590  -0.154  1.00  0.00           O  
HETATM   30  C   UNL     1       2.028   6.437   0.934  1.00  0.00           C  
HETATM   31  C   UNL     1       0.514   3.491  -0.373  1.00  0.00           C  
HETATM   32  C   UNL     1       0.326   3.276  -1.852  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.410   3.058   0.487  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.674   2.515  -0.010  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.652   2.173   0.861  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.941   1.840   0.382  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.262   1.989  -1.083  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.883   1.388   1.238  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.185   0.933   0.725  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.590   0.944  -0.574  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.798   0.466  -0.634  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.612   0.308  -1.893  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.205   0.136   0.599  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.208   0.415   1.459  1.00  0.00           C  
HETATM   45  H   UNL     1       5.254   2.456  -0.639  1.00  0.00           H  
HETATM   46  H   UNL     1       4.390   1.265  -1.641  1.00  0.00           H  
HETATM   47  H   UNL     1       4.420   0.491   1.181  1.00  0.00           H  
HETATM   48  H   UNL     1       6.520   1.608   1.108  1.00  0.00           H  
HETATM   49  H   UNL     1       4.631  -0.191  -2.470  1.00  0.00           H  
HETATM   50  H   UNL     1       4.130  -1.867  -2.141  1.00  0.00           H  
HETATM   51  H   UNL     1       3.132  -0.510  -1.566  1.00  0.00           H  
HETATM   52  H   UNL     1       4.930  -1.948   1.524  1.00  0.00           H  
HETATM   53  H   UNL     1       4.429  -3.888  -0.824  1.00  0.00           H  
HETATM   54  H   UNL     1       2.501  -2.814   1.260  1.00  0.00           H  
HETATM   55  H   UNL     1       2.058  -4.681  -1.069  1.00  0.00           H  
HETATM   56  H   UNL     1       2.618  -5.893   1.677  1.00  0.00           H  
HETATM   57  H   UNL     1       2.030  -6.780   0.250  1.00  0.00           H  
HETATM   58  H   UNL     1       3.657  -6.058   0.242  1.00  0.00           H  
HETATM   59  H   UNL     1       0.604  -4.562   1.608  1.00  0.00           H  
HETATM   60  H   UNL     1       0.737  -2.309   0.669  1.00  0.00           H  
HETATM   61  H   UNL     1       0.222  -2.911  -0.927  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.385  -3.475  -1.212  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.131  -4.044   0.294  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.422  -3.111   1.636  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.991  -1.351  -0.771  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.714  -1.276   0.856  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.628  -0.254   1.776  1.00  0.00           H  
HETATM   68  H   UNL     1       0.035  -0.281  -1.208  1.00  0.00           H  
HETATM   69  H   UNL     1       3.191   2.124   0.995  1.00  0.00           H  
HETATM   70  H   UNL     1       2.846   3.638  -1.631  1.00  0.00           H  
HETATM   71  H   UNL     1       4.050   5.484  -0.461  1.00  0.00           H  
HETATM   72  H   UNL     1       4.376   4.386   0.902  1.00  0.00           H  
HETATM   73  H   UNL     1       5.088   4.056  -0.696  1.00  0.00           H  
HETATM   74  H   UNL     1       1.827   4.051   1.213  1.00  0.00           H  
HETATM   75  H   UNL     1       1.446   6.174   1.817  1.00  0.00           H  
HETATM   76  H   UNL     1       3.089   6.305   1.146  1.00  0.00           H  
HETATM   77  H   UNL     1       1.837   7.476   0.669  1.00  0.00           H  
HETATM   78  H   UNL     1       0.686   2.284  -2.125  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.733   3.359  -2.099  1.00  0.00           H  
HETATM   80  H   UNL     1       0.887   4.031  -2.403  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.225   3.109   1.550  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.827   2.387  -1.071  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.449   2.154   1.921  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.122   1.032  -1.585  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.297   2.312  -1.197  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.599   2.732  -1.526  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.682   1.360   2.298  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.427  -0.676  -2.323  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.671   0.408  -1.655  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.326   1.078  -2.609  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.219   0.260   2.528  1.00  0.00           H  
CONECT    1   25    2   45   46                                       
CONECT    2    1    4    3   47                                       
CONECT    3    2   48                                                 
CONECT    4    5    2    7    6                                       
CONECT    5    4   49   50   51                                       
CONECT    6    4    7                                                 
CONECT    7    4    8    6   52                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   10   54                                       
CONECT   10   12    9   11   55                                       
CONECT   11   10   56   57   58                                       
CONECT   12   13   14   10   59                                       
CONECT   13   18   12   60   61                                       
CONECT   14   15   12                                                 
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   62   63                                       
CONECT   18   19   17   13   64                                       
CONECT   19   20   18   65   66                                       
CONECT   20   19   21   21   67                                       
CONECT   21   20   20   22   68                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   26   24    1   69                                       
CONECT   26   27   28   25   70                                       
CONECT   27   26   71   72   73                                       
CONECT   28   29   26   31   74                                       
CONECT   29   30   28                                                 
CONECT   30   29   75   76   77                                       
CONECT   31   28   32   33   33                                       
CONECT   32   31   78   79   80                                       
CONECT   33   31   31   34   81                                       
CONECT   34   33   35   35   82                                       
CONECT   35   34   34   36   83                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   84   85   86                                       
CONECT   38   36   36   39   87                                       
CONECT   39   38   44   44   40                                       
CONECT   40   39   41   41                                            
CONECT   41   40   40   43   42                                       
CONECT   42   41   88   89   90                                       
CONECT   43   44   41                                                 
CONECT   44   39   39   43   91                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   44                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
