COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.154   4.779  -0.706  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.179   4.323   0.096  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.988   4.842   1.171  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.324   3.163  -0.343  1.00  0.00           C  
HETATM    5  C   UNL     1       0.703   2.845   0.746  1.00  0.00           C  
HETATM    6  C   UNL     1       1.559   1.685   0.306  1.00  0.00           C  
HETATM    7  C   UNL     1       2.766   1.766  -0.416  1.00  0.00           C  
HETATM    8  C   UNL     1       3.438   3.028  -0.891  1.00  0.00           C  
HETATM    9  C   UNL     1       3.209   0.506  -0.604  1.00  0.00           C  
HETATM   10  C   UNL     1       4.469   0.112  -1.330  1.00  0.00           C  
HETATM   11  C   UNL     1       5.636   0.173  -0.379  1.00  0.00           C  
HETATM   12  C   UNL     1       7.058  -0.219  -0.720  1.00  0.00           C  
HETATM   13  C   UNL     1       7.132  -1.697  -1.109  1.00  0.00           C  
HETATM   14  C   UNL     1       8.550  -2.029  -1.579  1.00  0.00           C  
HETATM   15  C   UNL     1       7.820   0.037   0.598  1.00  0.00           C  
HETATM   16  C   UNL     1       8.901   1.102   0.400  1.00  0.00           C  
HETATM   17  C   UNL     1       6.730   0.543   1.520  1.00  0.00           C  
HETATM   18  O   UNL     1       6.880   0.873   2.678  1.00  0.00           O  
HETATM   19  N   UNL     1       5.573   0.570   0.844  1.00  0.00           N  
HETATM   20  C   UNL     1       1.313   0.379   0.537  1.00  0.00           C  
HETATM   21  N   UNL     1       2.319  -0.350  -0.025  1.00  0.00           N  
HETATM   22  C   UNL     1       0.129  -0.179   1.283  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.036  -0.327   0.339  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.272  -1.384  -0.465  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.424  -2.624  -0.580  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.908  -3.668   0.429  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.059  -4.909   0.314  1.00  0.00           C  
HETATM   28  O   UNL     1       0.840  -4.953  -0.492  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.303  -5.964   1.107  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.458  -1.116  -1.176  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.111  -2.016  -2.193  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.901   0.095  -0.781  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.036   0.581   0.154  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.142   0.788  -1.281  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.336   0.310  -0.494  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.663   0.750  -0.703  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.120   1.755  -1.729  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.456   0.094   0.197  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.858   0.215   0.359  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.490  -0.506   1.299  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.516  -0.784   0.978  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.811  -1.538   1.882  1.00  0.00           O  
HETATM   43  N   UNL     1      -5.285  -0.574   0.473  1.00  0.00           N  
HETATM   44  H   UNL     1      -2.677   5.525  -0.380  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.954   2.290  -0.515  1.00  0.00           H  
HETATM   46  H   UNL     1       0.195   3.423  -1.266  1.00  0.00           H  
HETATM   47  H   UNL     1       1.333   3.717   0.917  1.00  0.00           H  
HETATM   48  H   UNL     1       0.184   2.584   1.669  1.00  0.00           H  
HETATM   49  H   UNL     1       4.124   3.385  -0.124  1.00  0.00           H  
HETATM   50  H   UNL     1       3.992   2.822  -1.807  1.00  0.00           H  
HETATM   51  H   UNL     1       2.683   3.790  -1.087  1.00  0.00           H  
HETATM   52  H   UNL     1       4.365  -0.903  -1.714  1.00  0.00           H  
HETATM   53  H   UNL     1       4.641   0.798  -2.159  1.00  0.00           H  
HETATM   54  H   UNL     1       7.447   0.409  -1.522  1.00  0.00           H  
HETATM   55  H   UNL     1       6.882  -2.313  -0.245  1.00  0.00           H  
HETATM   56  H   UNL     1       6.426  -1.896  -1.915  1.00  0.00           H  
HETATM   57  H   UNL     1       9.243  -1.926  -0.744  1.00  0.00           H  
HETATM   58  H   UNL     1       8.578  -3.053  -1.951  1.00  0.00           H  
HETATM   59  H   UNL     1       8.838  -1.345  -2.377  1.00  0.00           H  
HETATM   60  H   UNL     1       8.255  -0.887   0.978  1.00  0.00           H  
HETATM   61  H   UNL     1       8.438   2.034   0.075  1.00  0.00           H  
HETATM   62  H   UNL     1       9.425   1.266   1.342  1.00  0.00           H  
HETATM   63  H   UNL     1       9.610   0.765  -0.356  1.00  0.00           H  
HETATM   64  H   UNL     1       2.392  -1.317  -0.011  1.00  0.00           H  
HETATM   65  H   UNL     1       0.387  -1.153   1.698  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.143   0.500   2.092  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.506  -3.029  -1.589  1.00  0.00           H  
HETATM   68  H   UNL     1       0.616  -2.374  -0.373  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.825  -3.264   1.438  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.948  -3.919   0.222  1.00  0.00           H  
HETATM   71  H   UNL     1       0.268  -6.737   0.996  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.818  -2.678  -1.691  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.641  -1.410  -2.928  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.349  -2.612  -2.694  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.116   1.434   0.609  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.032   1.865  -1.156  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.287   0.558  -2.336  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.374   1.240  -2.655  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.997   2.283  -1.354  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.319   2.470  -1.918  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.419   0.888  -0.273  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.930  -1.179   1.931  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.559  -0.414   1.422  1.00  0.00           H  
CONECT    1    2   44                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   45   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5    7   20   20                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   49   50   51                                       
CONECT    9    7    7   21   10                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   12   19   19                                       
CONECT   12   11   13   15   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   57   58   59                                       
CONECT   15   12   16   17   60                                       
CONECT   16   15   61   62   63                                       
CONECT   17   19   15   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   11   11   17                                            
CONECT   20    6    6   22   21                                       
CONECT   21   20    9   64                                            
CONECT   22   20   23   65   66                                       
CONECT   23   22   24   24   33                                       
CONECT   24   25   23   23   30                                       
CONECT   25   26   24   67   68                                       
CONECT   26   27   25   69   70                                       
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   71                                                 
CONECT   30   24   31   32   32                                       
CONECT   31   30   72   73   74                                       
CONECT   32   30   30   33   34                                       
CONECT   33   23   32   75                                            
CONECT   34   32   35   76   77                                       
CONECT   35   34   43   43   36                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   78   79   80                                       
CONECT   38   36   36   41   39                                       
CONECT   39   38   40   40   81                                       
CONECT   40   39   39   82   83                                       
CONECT   41   43   42   42   38                                       
CONECT   42   41   41                                                 
CONECT   43   35   35   41                                            
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
