COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.422  -0.175  -8.205  1.00  0.00           C  
HETATM    2  O   UNL     1       0.409  -0.728  -8.561  1.00  0.00           O  
HETATM    3  O   UNL     1       2.421   0.023  -9.080  1.00  0.00           O  
HETATM    4  C   UNL     1       1.566   0.290  -6.779  1.00  0.00           C  
HETATM    5  C   UNL     1       0.296  -0.056  -5.999  1.00  0.00           C  
HETATM    6  C   UNL     1       0.441   0.416  -4.551  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.827   0.070  -3.771  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.682   0.543  -2.324  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.951   0.196  -1.544  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.806   0.669  -0.096  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.056   0.328   0.672  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.973  -0.342   1.794  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.624  -0.636   2.398  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.604  -0.169   3.854  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.235  -0.467   4.467  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.215   0.000   5.924  1.00  0.00           C  
HETATM   17  C   UNL     1       1.154  -0.297   6.537  1.00  0.00           C  
HETATM   18  C   UNL     1       1.173   0.169   7.994  1.00  0.00           C  
HETATM   19  C   UNL     1       2.543  -0.128   8.607  1.00  0.00           C  
HETATM   20  C   UNL     1       2.562   0.338  10.064  1.00  0.00           C  
HETATM   21  H   UNL     1       2.329  -0.275  -9.995  1.00  0.00           H  
HETATM   22  H   UNL     1       1.718   1.369  -6.763  1.00  0.00           H  
HETATM   23  H   UNL     1       2.421  -0.204  -6.319  1.00  0.00           H  
HETATM   24  H   UNL     1       0.143  -1.135  -6.015  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.559   0.438  -6.459  1.00  0.00           H  
HETATM   26  H   UNL     1       0.594   1.496  -4.536  1.00  0.00           H  
HETATM   27  H   UNL     1       1.297  -0.077  -4.092  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.980  -1.009  -3.787  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.683   0.564  -4.231  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.529   1.622  -2.308  1.00  0.00           H  
HETATM   31  H   UNL     1       0.173   0.048  -1.864  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.104  -0.882  -1.559  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.807   0.691  -2.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.653   1.748  -0.080  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.950   0.175   0.363  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.021   0.635   0.297  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.871  -0.685   2.286  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.852  -0.109   1.837  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.433  -1.708   2.357  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.376  -0.696   4.415  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.795   0.903   3.894  1.00  0.00           H  
HETATM   42  H   UNL     1       0.536   0.060   3.906  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.044  -1.539   4.427  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.987  -0.527   6.485  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.406   1.072   5.964  1.00  0.00           H  
HETATM   46  H   UNL     1       1.925   0.229   5.976  1.00  0.00           H  
HETATM   47  H   UNL     1       1.344  -1.370   6.497  1.00  0.00           H  
HETATM   48  H   UNL     1       0.401  -0.357   8.555  1.00  0.00           H  
HETATM   49  H   UNL     1       0.983   1.241   8.034  1.00  0.00           H  
HETATM   50  H   UNL     1       3.314   0.398   8.046  1.00  0.00           H  
HETATM   51  H   UNL     1       2.733  -1.201   8.567  1.00  0.00           H  
HETATM   52  H   UNL     1       3.538   0.126  10.500  1.00  0.00           H  
HETATM   53  H   UNL     1       2.372   1.411  10.104  1.00  0.00           H  
HETATM   54  H   UNL     1       1.791  -0.188  10.625  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   21                                                 
CONECT    4    1    5   22   23                                       
CONECT    5    4    6   24   25                                       
CONECT    6    5    7   26   27                                       
CONECT    7    6    8   28   29                                       
CONECT    8    7    9   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11   10   12   12   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   15   17   44   45                                       
CONECT   17   16   18   46   47                                       
CONECT   18   17   19   48   49                                       
CONECT   19   18   20   50   51                                       
CONECT   20   19   52   53   54                                       
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
