COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.102   2.482   1.707  1.00  0.00           C  
HETATM    2  C   UNL     1       0.721  -1.268  -2.667  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.999   4.323  -1.734  1.00  0.00           C  
HETATM    4  C   UNL     1       4.361  -2.712  -1.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.527  -1.779   0.446  1.00  0.00           C  
HETATM    6  C   UNL     1       0.919  -0.250   0.390  1.00  0.00           C  
HETATM    7  O   UNL     1       1.128  -1.808  -1.408  1.00  0.00           O  
HETATM    8  C   UNL     1       3.664   0.119   0.374  1.00  0.00           C  
HETATM    9  C   UNL     1       5.545   1.228   1.317  1.00  0.00           C  
HETATM   10  C   UNL     1       3.082  -0.762  -0.530  1.00  0.00           C  
HETATM   11  C   UNL     1       1.513   0.617   1.306  1.00  0.00           C  
HETATM   12  C   UNL     1       2.878   0.807   1.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.555  -0.409   0.408  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.354   0.736   0.428  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.816  -2.380   0.509  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.330  -0.635   0.487  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.726   0.621   0.477  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.139  -1.667   0.410  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.419  -2.962   0.455  1.00  0.00           C  
HETATM   20  O   UNL     1       5.011   0.308   0.362  1.00  0.00           O  
HETATM   21  O   UNL     1       3.859  -1.441  -1.417  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.384   2.663  -2.184  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.970   3.298  -1.333  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.701   3.087  -0.030  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.701   2.090   0.360  1.00  0.00           C  
HETATM   26  C   UNL     1       0.654   1.311   2.327  1.00  0.00           C  
HETATM   27  C   UNL     1       1.705  -0.949  -0.525  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.073  -4.242   0.423  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.646  -0.962   0.528  1.00  0.00           O  
HETATM   30  H   UNL     1       0.584   3.317   1.565  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.904   2.788   2.379  1.00  0.00           H  
HETATM   32  H   UNL     1       0.278  -2.058  -3.274  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.013  -0.479  -2.504  1.00  0.00           H  
HETATM   34  H   UNL     1       1.589  -0.857  -3.183  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.979   3.850  -1.796  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.027   5.120  -0.990  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.735   4.742  -2.705  1.00  0.00           H  
HETATM   38  H   UNL     1       4.976  -2.586  -0.109  1.00  0.00           H  
HETATM   39  H   UNL     1       3.526  -3.376  -0.775  1.00  0.00           H  
HETATM   40  H   UNL     1       4.963  -3.145  -1.799  1.00  0.00           H  
HETATM   41  H   UNL     1       5.110   2.214   1.155  1.00  0.00           H  
HETATM   42  H   UNL     1       5.306   0.885   2.324  1.00  0.00           H  
HETATM   43  H   UNL     1       6.628   1.285   1.200  1.00  0.00           H  
HETATM   44  H   UNL     1       3.337   1.491   1.987  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.383  -2.678  -0.373  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.326  -2.710   1.414  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.338   1.511   0.509  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.523  -2.554   0.385  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.170   3.595   0.651  1.00  0.00           H  
HETATM   50  H   UNL     1       0.091   2.066  -0.389  1.00  0.00           H  
HETATM   51  H   UNL     1       1.286   1.682   3.134  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.063   0.599   2.735  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.030  -4.518   0.385  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.835  -5.008   0.435  1.00  0.00           H  
CONECT    1   26   25   30   31                                       
CONECT    2    7   32   33   34                                       
CONECT    3   23   35   36   37                                       
CONECT    4   21   38   39   40                                       
CONECT    5   16   16   18   19                                       
CONECT    6   11   13   27   27                                       
CONECT    7   27    2                                                 
CONECT    8   12   20   10   10                                       
CONECT    9   20   41   42   43                                       
CONECT   10    8    8   27   21                                       
CONECT   11   26   12   12    6                                       
CONECT   12   11   11    8   44                                       
CONECT   13    6   14   18   18                                       
CONECT   14   25   17   17   13                                       
CONECT   15   29   19   45   46                                       
CONECT   16   17   29    5    5                                       
CONECT   17   14   14   16   47                                       
CONECT   18   13   13    5   48                                       
CONECT   19    5   15   28   28                                       
CONECT   20    9    8                                                 
CONECT   21   10    4                                                 
CONECT   22   23   23                                                 
CONECT   23    3   24   22   22                                       
CONECT   24   25   23   49                                            
CONECT   25    1   24   14   50                                       
CONECT   26    1   11   51   52                                       
CONECT   27    6    6   10    7                                       
CONECT   28   19   19   53   54                                       
CONECT   29   16   15                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
