COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.470   1.399  11.032  1.00  0.00           C  
HETATM    2  C   UNL     1       5.492   0.688  10.336  1.00  0.00           C  
HETATM    3  C   UNL     1       5.572   0.567   8.949  1.00  0.00           C  
HETATM    4  C   UNL     1       6.629   1.158   8.254  1.00  0.00           C  
HETATM    5  C   UNL     1       7.607   1.869   8.953  1.00  0.00           C  
HETATM    6  C   UNL     1       7.527   1.990  10.340  1.00  0.00           C  
HETATM    7  N   UNL     1       6.710   1.036   6.854  1.00  0.00           N  
HETATM    8  C   UNL     1       5.727   0.903   5.849  1.00  0.00           C  
HETATM    9  N   UNL     1       4.448   0.883   6.255  1.00  0.00           N  
HETATM   10  C   UNL     1       3.579   0.754   5.244  1.00  0.00           C  
HETATM   11  N   UNL     1       3.862   0.649   3.940  1.00  0.00           N  
HETATM   12  C   UNL     1       5.179   0.684   3.684  1.00  0.00           C  
HETATM   13  N   UNL     1       6.168   0.808   4.584  1.00  0.00           N  
HETATM   14  O   UNL     1       8.489   2.687  11.007  1.00  0.00           O  
HETATM   15  C   UNL     1       8.265   4.083  11.193  1.00  0.00           C  
HETATM   16  O   UNL     1       6.392   1.517  12.388  1.00  0.00           O  
HETATM   17  C   UNL     1       7.036   0.508  13.163  1.00  0.00           C  
HETATM   18  O   UNL     1       4.454   0.106  11.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.498  -0.603  10.214  1.00  0.00           C  
HETATM   20  C   UNL     1       2.176   0.727   5.603  1.00  0.00           C  
HETATM   21  C   UNL     1       1.463   1.918   5.663  1.00  0.00           C  
HETATM   22  C   UNL     1       0.116   1.899   6.008  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.466   0.672   6.281  1.00  0.00           C  
HETATM   24  N   UNL     1       0.194  -0.506   6.233  1.00  0.00           N  
HETATM   25  C   UNL     1       1.507  -0.457   5.894  1.00  0.00           C  
HETATM   26  N   UNL     1       2.215  -1.672   5.839  1.00  0.00           N  
HETATM   27  C   UNL     1       2.077  -2.891   6.536  1.00  0.00           C  
HETATM   28  C   UNL     1       2.440  -4.090   5.923  1.00  0.00           C  
HETATM   29  C   UNL     1       2.304  -5.295   6.612  1.00  0.00           C  
HETATM   30  C   UNL     1       1.805  -5.301   7.915  1.00  0.00           C  
HETATM   31  C   UNL     1       1.442  -4.102   8.528  1.00  0.00           C  
HETATM   32  C   UNL     1       1.578  -2.897   7.839  1.00  0.00           C  
HETATM   33  H   UNL     1       4.807   0.012   8.411  1.00  0.00           H  
HETATM   34  H   UNL     1       8.433   2.331   8.417  1.00  0.00           H  
HETATM   35  H   UNL     1       7.659   1.045   6.495  1.00  0.00           H  
HETATM   36  H   UNL     1       5.475   0.602   2.645  1.00  0.00           H  
HETATM   37  H   UNL     1       8.954   4.650  10.562  1.00  0.00           H  
HETATM   38  H   UNL     1       8.421   4.341  12.244  1.00  0.00           H  
HETATM   39  H   UNL     1       7.237   4.319  10.911  1.00  0.00           H  
HETATM   40  H   UNL     1       8.088   0.442  12.874  1.00  0.00           H  
HETATM   41  H   UNL     1       6.540  -0.452  12.997  1.00  0.00           H  
HETATM   42  H   UNL     1       6.967   0.774  14.220  1.00  0.00           H  
HETATM   43  H   UNL     1       4.001  -1.396   9.655  1.00  0.00           H  
HETATM   44  H   UNL     1       3.008   0.089   9.524  1.00  0.00           H  
HETATM   45  H   UNL     1       2.751  -1.045  10.877  1.00  0.00           H  
HETATM   46  H   UNL     1       1.941   2.871   5.447  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.460   2.816   6.063  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.514   0.603   6.554  1.00  0.00           H  
HETATM   49  H   UNL     1       2.975  -1.674   5.165  1.00  0.00           H  
HETATM   50  H   UNL     1       2.830  -4.097   4.909  1.00  0.00           H  
HETATM   51  H   UNL     1       2.587  -6.228   6.134  1.00  0.00           H  
HETATM   52  H   UNL     1       1.699  -6.239   8.452  1.00  0.00           H  
HETATM   53  H   UNL     1       1.054  -4.106   9.543  1.00  0.00           H  
HETATM   54  H   UNL     1       1.293  -1.968   8.326  1.00  0.00           H  
CONECT    1   16    6    6    2                                       
CONECT    2    1   18    3    3                                       
CONECT    3    2    2    4   33                                       
CONECT    4    5    5    7    3                                       
CONECT    5    6    4    4   34                                       
CONECT    6   14    1    1    5                                       
CONECT    7    4    8   35                                            
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   20                                       
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   36                                       
CONECT   13    8    8   12                                            
CONECT   14   15    6                                                 
CONECT   15   14   37   38   39                                       
CONECT   16    1   17                                                 
CONECT   17   16   40   41   42                                       
CONECT   18    2   19                                                 
CONECT   19   18   43   44   45                                       
CONECT   20   10   21   21   25                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23   47                                       
CONECT   23   22   22   24   48                                       
CONECT   24   25   25   23                                            
CONECT   25   20   26   24   24                                       
CONECT   26   25   27   49                                            
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   50                                       
CONECT   29   28   30   30   51                                       
CONECT   30   29   29   31   52                                       
CONECT   31   32   32   30   53                                       
CONECT   32   27   31   31   54                                       
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
