COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.909   3.699  -1.687  1.00  0.00           C  
HETATM    2  O   UNL     1       5.565   2.577  -1.094  1.00  0.00           O  
HETATM    3  C   UNL     1       4.773   1.612  -0.556  1.00  0.00           C  
HETATM    4  C   UNL     1       5.345   0.493   0.037  1.00  0.00           C  
HETATM    5  O   UNL     1       6.700   0.362   0.080  1.00  0.00           O  
HETATM    6  C   UNL     1       7.369   0.905   1.220  1.00  0.00           C  
HETATM    7  C   UNL     1       4.534  -0.493   0.587  1.00  0.00           C  
HETATM    8  O   UNL     1       5.094  -1.588   1.168  1.00  0.00           O  
HETATM    9  C   UNL     1       4.200  -2.561   1.713  1.00  0.00           C  
HETATM   10  C   UNL     1       3.155  -0.359   0.544  1.00  0.00           C  
HETATM   11  C   UNL     1       3.394   1.747  -0.593  1.00  0.00           C  
HETATM   12  C   UNL     1       2.584   0.759  -0.049  1.00  0.00           C  
HETATM   13  N   UNL     1       1.191   0.896  -0.087  1.00  0.00           N  
HETATM   14  C   UNL     1       0.387  -0.228  -0.220  1.00  0.00           C  
HETATM   15  N   UNL     1       0.964  -1.419  -0.417  1.00  0.00           N  
HETATM   16  C   UNL     1       0.255  -2.518  -0.550  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.917  -0.090  -0.143  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.739  -1.214  -0.275  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.145  -2.447  -0.484  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.077  -1.421  -0.248  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.318  -2.712  -0.430  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.175  -3.368  -0.577  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.023  -4.850  -0.804  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.098  -0.382  -0.050  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.858   0.890   0.425  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.040   1.596   0.484  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.066   0.744   0.031  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.426  -0.524  -0.311  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.357   2.889   0.884  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.665   3.321   0.835  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.673   2.478   0.388  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.385   1.205  -0.016  1.00  0.00           C  
HETATM   33  H   UNL     1       4.270   3.358  -2.501  1.00  0.00           H  
HETATM   34  H   UNL     1       4.302   4.204  -0.935  1.00  0.00           H  
HETATM   35  H   UNL     1       5.655   4.392  -2.077  1.00  0.00           H  
HETATM   36  H   UNL     1       6.999   0.420   2.123  1.00  0.00           H  
HETATM   37  H   UNL     1       8.441   0.734   1.128  1.00  0.00           H  
HETATM   38  H   UNL     1       7.176   1.977   1.278  1.00  0.00           H  
HETATM   39  H   UNL     1       3.588  -2.099   2.488  1.00  0.00           H  
HETATM   40  H   UNL     1       3.556  -2.945   0.923  1.00  0.00           H  
HETATM   41  H   UNL     1       4.774  -3.381   2.145  1.00  0.00           H  
HETATM   42  H   UNL     1       2.525  -1.125   0.972  1.00  0.00           H  
HETATM   43  H   UNL     1       2.949   2.618  -1.051  1.00  0.00           H  
HETATM   44  H   UNL     1       0.789   1.776  -0.021  1.00  0.00           H  
HETATM   45  H   UNL     1       0.745  -3.467  -0.708  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.031  -5.056  -1.875  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.080  -5.189  -0.376  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.850  -5.377  -0.327  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.988   1.235   0.679  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.914  -1.408  -0.693  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.580   3.554   1.234  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.909   4.325   1.151  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.693   2.832   0.356  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.174   0.554  -0.362  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   11                                       
CONECT    4    5    3    3    7                                       
CONECT    5    6    4                                                 
CONECT    6    5   36   37   38                                       
CONECT    7    4    8   10   10                                       
CONECT    8    7    9                                                 
CONECT    9    8   39   40   41                                       
CONECT   10    7    7   12   42                                       
CONECT   11    3   12   12   43                                       
CONECT   12   11   11   10   13                                       
CONECT   13   12   14   44                                            
CONECT   14   17   17   13   15                                       
CONECT   15   14   16   16                                            
CONECT   16   19   15   15   45                                       
CONECT   17   18   14   14                                            
CONECT   18   20   17   19                                            
CONECT   19   18   22   22   16                                       
CONECT   20   24   21   21   18                                       
CONECT   21   20   20   22                                            
CONECT   22   21   19   19   23                                       
CONECT   23   22   46   47   48                                       
CONECT   24   25   28   28   20                                       
CONECT   25   26   24   49                                            
CONECT   26   29   29   27   25                                       
CONECT   27   32   32   26   28                                       
CONECT   28   27   24   24   50                                       
CONECT   29   30   26   26   51                                       
CONECT   30   31   31   29   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   31   27   27   54                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
