COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.657   3.278   0.161  1.00  0.00           C  
HETATM    2  C   UNL     1       3.298   2.603  -0.036  1.00  0.00           C  
HETATM    3  N   UNL     1       3.448   1.152   0.103  1.00  0.00           N  
HETATM    4  C   UNL     1       2.344   0.325  -0.036  1.00  0.00           C  
HETATM    5  C   UNL     1       1.089   0.862  -0.306  1.00  0.00           C  
HETATM    6  C   UNL     1       0.010  -0.008  -0.438  1.00  0.00           C  
HETATM    7  N   UNL     1       0.212  -1.315  -0.301  1.00  0.00           N  
HETATM    8  C   UNL     1       1.421  -1.791  -0.043  1.00  0.00           C  
HETATM    9  C   UNL     1       1.605  -3.257   0.102  1.00  0.00           C  
HETATM   10  C   UNL     1       2.870  -3.771   0.373  1.00  0.00           C  
HETATM   11  C   UNL     1       3.026  -5.141   0.507  1.00  0.00           C  
HETATM   12  C   UNL     1       1.910  -5.951   0.364  1.00  0.00           C  
HETATM   13  C   UNL     1       0.682  -5.372   0.095  1.00  0.00           C  
HETATM   14  N   UNL     1       0.561  -4.066  -0.021  1.00  0.00           N  
HETATM   15  N   UNL     1       2.472  -0.994   0.083  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.259   0.482  -0.707  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.226  -0.599  -0.802  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.494  -0.135  -1.526  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.405   0.527  -0.512  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.586  -0.089  -0.144  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.414   0.519   0.783  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.060   1.736   1.334  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.877   2.349   0.962  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.053   1.737   0.036  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.757   2.404  -0.377  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.593   1.581   0.184  1.00  0.00           C  
HETATM   27  C   UNL     1       4.500   4.793   0.016  1.00  0.00           C  
HETATM   28  O   UNL     1       5.769   5.423   0.200  1.00  0.00           O  
HETATM   29  H   UNL     1       5.037   3.045   1.156  1.00  0.00           H  
HETATM   30  H   UNL     1       5.357   2.911  -0.590  1.00  0.00           H  
HETATM   31  H   UNL     1       2.598   2.969   0.715  1.00  0.00           H  
HETATM   32  H   UNL     1       2.918   2.835  -1.031  1.00  0.00           H  
HETATM   33  H   UNL     1       4.320   0.771   0.292  1.00  0.00           H  
HETATM   34  H   UNL     1       0.956   1.929  -0.412  1.00  0.00           H  
HETATM   35  H   UNL     1       3.718  -3.110   0.478  1.00  0.00           H  
HETATM   36  H   UNL     1       3.995  -5.568   0.716  1.00  0.00           H  
HETATM   37  H   UNL     1       1.997  -7.023   0.462  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.190  -6.000  -0.017  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.783  -1.429  -1.352  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.489  -0.934   0.202  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.231   0.580  -2.306  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.999  -0.993  -1.968  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.860  -1.040  -0.576  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.338   0.043   1.074  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.708   2.209   2.057  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.599   3.300   1.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.692   2.439  -1.464  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.720   3.416   0.027  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.874   1.180   1.158  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.722   2.226   0.301  1.00  0.00           H  
HETATM   51  H   UNL     1       4.120   5.025  -0.979  1.00  0.00           H  
HETATM   52  H   UNL     1       3.800   5.159   0.767  1.00  0.00           H  
HETATM   53  H   UNL     1       5.745   6.386   0.122  1.00  0.00           H  
CONECT    1    2   27   29   30                                       
CONECT    2    1    3   31   32                                       
CONECT    3    2    4   33                                            
CONECT    4    3    5    5   15                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    7   16                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   15   15                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   35                                       
CONECT   11   10   12   12   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14    9   13   13                                            
CONECT   15    4    8    8                                            
CONECT   16    6   17   26                                            
CONECT   17   16   18   39   40                                       
CONECT   18   17   19   41   42                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   43                                       
CONECT   21   20   22   22   44                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24   46                                       
CONECT   24   19   23   23   25                                       
CONECT   25   24   26   47   48                                       
CONECT   26   16   25   49   50                                       
CONECT   27    1   28   51   52                                       
CONECT   28   27   53                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
