COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.528   2.401   0.504  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.090   2.691  -0.589  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.854   3.638  -1.479  1.00  0.00           C  
HETATM    4  N   UNL     1       1.082   2.173  -1.005  1.00  0.00           N  
HETATM    5  C   UNL     1       1.827   1.257  -0.138  1.00  0.00           C  
HETATM    6  C   UNL     1       3.313   1.295  -0.509  1.00  0.00           C  
HETATM    7  O   UNL     1       3.832   2.604  -0.269  1.00  0.00           O  
HETATM    8  C   UNL     1       4.069   0.278   0.351  1.00  0.00           C  
HETATM    9  O   UNL     1       5.444   0.253  -0.038  1.00  0.00           O  
HETATM   10  C   UNL     1       3.454  -1.109   0.146  1.00  0.00           C  
HETATM   11  C   UNL     1       4.165  -2.121   1.047  1.00  0.00           C  
HETATM   12  O   UNL     1       3.672  -3.434   0.771  1.00  0.00           O  
HETATM   13  O   UNL     1       2.065  -1.067   0.479  1.00  0.00           O  
HETATM   14  C   UNL     1       1.299  -0.168  -0.324  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.072  -0.224   0.074  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.697  -1.487  -0.166  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.792  -1.727   0.879  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.292  -3.059   0.748  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.343  -1.486  -1.561  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.239  -0.348  -1.617  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.361  -0.787  -0.820  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.578  -2.166  -1.171  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.317  -2.686  -1.629  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.933  -0.728   0.655  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.472   0.624   0.978  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.360   1.569   1.347  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.541   1.299   1.411  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.886   2.960   1.680  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.534   4.661  -1.280  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.658   3.393  -2.523  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.921   3.546  -1.277  1.00  0.00           H  
HETATM   32  H   UNL     1       1.432   2.405  -1.879  1.00  0.00           H  
HETATM   33  H   UNL     1       1.703   1.558   0.902  1.00  0.00           H  
HETATM   34  H   UNL     1       3.432   1.042  -1.563  1.00  0.00           H  
HETATM   35  H   UNL     1       4.770   2.701  -0.482  1.00  0.00           H  
HETATM   36  H   UNL     1       3.991   0.559   1.401  1.00  0.00           H  
HETATM   37  H   UNL     1       5.984  -0.371   0.467  1.00  0.00           H  
HETATM   38  H   UNL     1       3.569  -1.407  -0.897  1.00  0.00           H  
HETATM   39  H   UNL     1       5.238  -2.088   0.854  1.00  0.00           H  
HETATM   40  H   UNL     1       3.976  -1.873   2.091  1.00  0.00           H  
HETATM   41  H   UNL     1       4.079  -4.127   1.307  1.00  0.00           H  
HETATM   42  H   UNL     1       1.385  -0.453  -1.372  1.00  0.00           H  
HETATM   43  H   UNL     1       0.048  -2.280  -0.105  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.378  -1.589   1.878  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.990  -3.281   1.380  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.606  -1.496  -2.364  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.243  -0.173  -1.002  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.405  -3.045  -2.655  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.977  -3.487  -0.974  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.778  -0.990   1.291  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.528   0.840   0.927  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.888   3.570   0.777  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.552   3.404   2.420  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.875   2.912   2.084  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   29   30   31                                       
CONECT    4    2    5   32                                            
CONECT    5    4    6   14   33                                       
CONECT    6    7    5    8   34                                       
CONECT    7    6   35                                                 
CONECT    8    6    9   10   36                                       
CONECT    9    8   37                                                 
CONECT   10    8   13   11   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   41                                                 
CONECT   13   14   10                                                 
CONECT   14    5   15   13   42                                       
CONECT   15   14   16                                                 
CONECT   16   19   15   17   43                                       
CONECT   17   16   24   18   44                                       
CONECT   18   17   45                                                 
CONECT   19   23   20   16   46                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   24   47                                       
CONECT   22   23   21                                                 
CONECT   23   19   22   48   49                                       
CONECT   24   21   17   25   50                                       
CONECT   25   24   26   51                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   52   53   54                                       
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
