COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.798  -0.491   0.066  1.00  0.00           C  
HETATM    2  O   UNL     1       0.639  -1.812  -0.456  1.00  0.00           O  
HETATM    3  C   UNL     1       2.247  -0.038  -0.126  1.00  0.00           C  
HETATM    4  N   UNL     1       2.411   1.320   0.410  1.00  0.00           N  
HETATM    5  C   UNL     1       3.183  -0.995   0.614  1.00  0.00           C  
HETATM    6  C   UNL     1       4.614  -0.622   0.325  1.00  0.00           C  
HETATM    7  C   UNL     1       5.271   0.281   1.140  1.00  0.00           C  
HETATM    8  C   UNL     1       5.272  -1.188  -0.751  1.00  0.00           C  
HETATM    9  C   UNL     1       6.584   0.623   0.874  1.00  0.00           C  
HETATM   10  C   UNL     1       6.585  -0.846  -1.016  1.00  0.00           C  
HETATM   11  C   UNL     1       7.240   0.062  -0.205  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.532   0.129  -0.360  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.138   0.467  -0.674  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.430   1.244  -0.686  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.950   2.493   0.007  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.212   2.410   0.960  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.849   0.914  -0.217  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.321  -0.370  -0.904  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.721  -0.734  -0.412  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.691  -0.964   1.101  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.724  -2.106   1.421  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.321  -1.735   0.936  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.345  -1.503  -0.576  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.942  -1.104  -1.045  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.343   3.698  -0.434  1.00  0.00           O  
HETATM   26  H   UNL     1       0.555  -0.488   1.128  1.00  0.00           H  
HETATM   27  H   UNL     1       0.840  -1.889  -1.399  1.00  0.00           H  
HETATM   28  H   UNL     1       2.491  -0.041  -1.188  1.00  0.00           H  
HETATM   29  H   UNL     1       1.851   1.982  -0.105  1.00  0.00           H  
HETATM   30  H   UNL     1       2.999  -0.927   1.687  1.00  0.00           H  
HETATM   31  H   UNL     1       2.999  -2.016   0.279  1.00  0.00           H  
HETATM   32  H   UNL     1       4.758   0.720   1.983  1.00  0.00           H  
HETATM   33  H   UNL     1       4.761  -1.898  -1.384  1.00  0.00           H  
HETATM   34  H   UNL     1       7.097   1.330   1.510  1.00  0.00           H  
HETATM   35  H   UNL     1       7.099  -1.288  -1.856  1.00  0.00           H  
HETATM   36  H   UNL     1       8.266   0.329  -0.412  1.00  0.00           H  
HETATM   37  H   UNL     1       0.068   1.490  -0.361  1.00  0.00           H  
HETATM   38  H   UNL     1       0.025   0.376  -1.748  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.433   1.405  -1.764  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.852   0.771   0.864  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.519   1.734  -0.478  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.345  -0.216  -1.983  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.410   0.079  -0.641  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.056  -1.644  -0.910  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.358  -0.054   1.600  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.690  -1.225   1.449  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.703  -2.274   2.497  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.054  -3.014   0.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.993  -0.824   1.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.631  -2.546   1.168  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.662  -2.415  -1.082  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.953  -0.935  -2.122  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.239  -1.903  -0.809  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.009   4.471   0.042  1.00  0.00           H  
HETATM   55  H   UNL     1       2.191   1.349   1.395  1.00  0.00           H  
CONECT    1    2    3   26   13                                       
CONECT    2    1   27                                                 
CONECT    3    1    4    5   28                                       
CONECT    4    3   29   55                                            
CONECT    5    3    6   30   31                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   32                                       
CONECT    8    6   10   10   33                                       
CONECT    9    7   11   11   34                                       
CONECT   10    8    8   11   35                                       
CONECT   11    9    9   10   36                                       
CONECT   12   13   14   24                                            
CONECT   13    1   12   37   38                                       
CONECT   14   12   15   17   39                                       
CONECT   15   14   16   16   25                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   40   41                                       
CONECT   18   17   19   23   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   21   23   49   50                                       
CONECT   23   18   22   24   51                                       
CONECT   24   12   23   52   53                                       
CONECT   25   15   54                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55    4                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
