COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.720   1.165   8.525  1.00  0.00           O  
HETATM    2  N   UNL     1       0.303   0.926   9.635  1.00  0.00           N  
HETATM    3  C   UNL     1       0.085  -0.345   9.802  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.434  -1.016  11.047  1.00  0.00           C  
HETATM    5  C   UNL     1       0.426  -0.972   8.582  1.00  0.00           C  
HETATM    6  C   UNL     1       0.836   0.048   7.792  1.00  0.00           C  
HETATM    7  C   UNL     1       1.320  -0.049   6.368  1.00  0.00           C  
HETATM    8  C   UNL     1       0.131   0.087   5.415  1.00  0.00           C  
HETATM    9  C   UNL     1       0.623  -0.012   3.969  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.565   0.124   3.016  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.073   0.024   1.570  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.262   0.161   0.617  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.770   0.061  -0.828  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.881   0.189  -1.718  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.386   0.093  -2.979  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.243   0.182  -4.069  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.744   0.085  -5.349  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.375  -0.103  -5.551  1.00  0.00           C  
HETATM   19  C   UNL     1       0.481  -0.198  -4.453  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.023  -0.094  -3.176  1.00  0.00           C  
HETATM   21  C   UNL     1       0.163  -0.207  -6.924  1.00  0.00           C  
HETATM   22  N   UNL     1       1.423  -0.383  -7.178  1.00  0.00           N  
HETATM   23  C   UNL     1       1.600  -0.430  -8.643  1.00  0.00           C  
HETATM   24  C   UNL     1       2.769   0.454  -9.080  1.00  0.00           C  
HETATM   25  C   UNL     1       0.254   0.141  -9.150  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.610  -0.128  -8.027  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.523  -1.056  11.011  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.035  -2.028  11.108  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.121  -0.448  11.923  1.00  0.00           H  
HETATM   30  H   UNL     1       0.377  -2.023   8.338  1.00  0.00           H  
HETATM   31  H   UNL     1       1.800  -1.015   6.214  1.00  0.00           H  
HETATM   32  H   UNL     1       2.037   0.747   6.172  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.348   1.053   5.569  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.584  -0.710   5.611  1.00  0.00           H  
HETATM   35  H   UNL     1       1.103  -0.978   3.815  1.00  0.00           H  
HETATM   36  H   UNL     1       1.340   0.784   3.773  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.045   1.090   3.170  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.281  -0.673   3.212  1.00  0.00           H  
HETATM   39  H   UNL     1       0.406  -0.941   1.416  1.00  0.00           H  
HETATM   40  H   UNL     1       0.643   0.821   1.374  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.742   1.127   0.771  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.979  -0.636   0.813  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.290  -0.904  -0.982  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.054   0.858  -1.024  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.301   0.328  -3.912  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.411   0.155  -6.196  1.00  0.00           H  
HETATM   47  H   UNL     1       1.540  -0.344  -4.606  1.00  0.00           H  
HETATM   48  H   UNL     1       0.639  -0.163  -2.326  1.00  0.00           H  
HETATM   49  H   UNL     1       1.741  -1.455  -8.985  1.00  0.00           H  
HETATM   50  H   UNL     1       3.698   0.060  -8.668  1.00  0.00           H  
HETATM   51  H   UNL     1       2.830   0.464 -10.169  1.00  0.00           H  
HETATM   52  H   UNL     1       2.612   1.470  -8.717  1.00  0.00           H  
HETATM   53  H   UNL     1       0.329   1.212  -9.336  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.084  -0.386 -10.041  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3    3                                            
CONECT    3    2    2    4    5                                       
CONECT    4    3   27   28   29                                       
CONECT    5    3    6    6   30                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   45                                       
CONECT   17   16   18   18   46                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   47                                       
CONECT   20   15   19   19   48                                       
CONECT   21   18   22   22   26                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   25   49                                       
CONECT   24   23   50   51   52                                       
CONECT   25   23   26   53   54                                       
CONECT   26   21   25                                                 
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
