COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.482  -1.950   1.074  1.00  0.00           O  
HETATM    2  C   UNL     1       0.762  -0.889   0.559  1.00  0.00           C  
HETATM    3  C   UNL     1       2.172  -0.528   0.336  1.00  0.00           C  
HETATM    4  C   UNL     1       3.191  -1.407   0.716  1.00  0.00           C  
HETATM    5  C   UNL     1       4.509  -1.062   0.504  1.00  0.00           C  
HETATM    6  C   UNL     1       4.824   0.151  -0.083  1.00  0.00           C  
HETATM    7  C   UNL     1       6.267   0.520  -0.312  1.00  0.00           C  
HETATM    8  C   UNL     1       6.921  -0.518  -1.227  1.00  0.00           C  
HETATM    9  C   UNL     1       6.343   1.899  -0.970  1.00  0.00           C  
HETATM   10  C   UNL     1       7.004   0.554   1.029  1.00  0.00           C  
HETATM   11  C   UNL     1       3.822   1.026  -0.463  1.00  0.00           C  
HETATM   12  C   UNL     1       2.499   0.693  -0.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.333   0.058   0.141  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.692  -0.613   0.345  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.835  -1.802  -0.616  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.219  -2.438  -0.486  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.319  -1.381  -0.668  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.601  -1.973  -0.450  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.758   0.333   0.047  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.742   1.608   0.765  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.217   2.069   0.847  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.403   3.276   0.105  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.036   0.912   0.211  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.310   1.179  -1.166  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.075  -0.282   0.359  1.00  0.00           C  
HETATM   26  H   UNL     1       2.946  -2.353   1.176  1.00  0.00           H  
HETATM   27  H   UNL     1       5.297  -1.739   0.798  1.00  0.00           H  
HETATM   28  H   UNL     1       6.397  -0.542  -2.182  1.00  0.00           H  
HETATM   29  H   UNL     1       7.965  -0.251  -1.392  1.00  0.00           H  
HETATM   30  H   UNL     1       6.867  -1.500  -0.758  1.00  0.00           H  
HETATM   31  H   UNL     1       5.878   2.639  -0.318  1.00  0.00           H  
HETATM   32  H   UNL     1       7.387   2.166  -1.135  1.00  0.00           H  
HETATM   33  H   UNL     1       5.819   1.875  -1.925  1.00  0.00           H  
HETATM   34  H   UNL     1       6.950  -0.429   1.498  1.00  0.00           H  
HETATM   35  H   UNL     1       8.047   0.821   0.864  1.00  0.00           H  
HETATM   36  H   UNL     1       6.538   1.293   1.681  1.00  0.00           H  
HETATM   37  H   UNL     1       4.076   1.971  -0.921  1.00  0.00           H  
HETATM   38  H   UNL     1       1.717   1.375  -0.564  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.280   0.964   0.746  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.209   0.316  -0.910  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.782  -0.958   1.375  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.694  -1.455  -1.640  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.074  -2.547  -0.382  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.333  -3.210  -1.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.315  -2.890   0.501  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.270  -0.965  -1.674  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.806  -2.700  -1.053  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.335   1.470   1.766  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.150   2.340   0.215  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.510   2.215   1.887  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.880   4.022   0.430  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.959   0.740   0.763  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.837   1.975  -1.315  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.091  -0.684   1.372  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3    5   26                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   28   29   30                                       
CONECT    9    7   31   32   33                                       
CONECT   10    7   34   35   36                                       
CONECT   11    6   12   12   37                                       
CONECT   12    3   11   11   38                                       
CONECT   13    2   14   39   40                                       
CONECT   14   13   15   19   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   15   17   44   45                                       
CONECT   17   16   18   25   46                                       
CONECT   18   17   47                                                 
CONECT   19   14   20   25                                            
CONECT   20   19   21   48   49                                       
CONECT   21   20   22   23   50                                       
CONECT   22   21   51                                                 
CONECT   23   21   24   25   52                                       
CONECT   24   23   53                                                 
CONECT   25   17   19   23   54                                       
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
