COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.128   3.758  -0.064  1.00  0.00           C  
HETATM    2  C   UNL     1       5.025   2.268  -0.262  1.00  0.00           C  
HETATM    3  C   UNL     1       3.588   1.816   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1       2.274  -0.275   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.143   0.448   0.372  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.055  -0.240   0.550  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.293  -0.494   1.209  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.131   0.059   2.341  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.295   0.884   1.768  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.673   1.772  -0.463  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.259   2.588  -1.660  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.599   2.399   0.584  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.497   1.479   0.005  1.00  0.00           C  
HETATM   14  C   UNL     1       1.016  -2.211   0.006  1.00  0.00           C  
HETATM   15  C   UNL     1       0.947  -3.681  -0.191  1.00  0.00           C  
HETATM   16  C   UNL     1       2.094  -4.384  -0.552  1.00  0.00           C  
HETATM   17  C   UNL     1       2.014  -5.755  -0.732  1.00  0.00           C  
HETATM   18  C   UNL     1       0.788  -6.377  -0.544  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.310  -5.616  -0.185  1.00  0.00           C  
HETATM   20  N   UNL     1       3.488   0.367  -0.187  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.206   0.439   0.919  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.862   1.691   0.610  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.080  -1.556   0.359  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.205  -4.314  -0.016  1.00  0.00           N  
HETATM   25  N   UNL     1       2.174  -1.591  -0.167  1.00  0.00           N  
HETATM   26  O   UNL     1       6.303   4.380  -0.251  1.00  0.00           O  
HETATM   27  O   UNL     1       4.153   4.393   0.259  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.278   2.518  -2.660  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.736   1.188  -0.465  1.00  0.00           O  
HETATM   30  H   UNL     1       5.300   2.018  -1.287  1.00  0.00           H  
HETATM   31  H   UNL     1       5.700   1.762   0.428  1.00  0.00           H  
HETATM   32  H   UNL     1       3.314   2.065   1.031  1.00  0.00           H  
HETATM   33  H   UNL     1       2.914   2.322  -0.685  1.00  0.00           H  
HETATM   34  H   UNL     1       1.195   1.517   0.520  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.878  -1.459   1.500  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.915  -0.617   0.322  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.527  -0.765   2.935  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.512   0.696   2.973  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.091   0.208   1.454  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.677   1.549   2.543  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.115   3.626  -1.360  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.326   2.193  -2.064  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.328   2.695   1.598  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.694   3.287  -0.040  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.842   1.048  -0.934  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.595   2.064  -0.176  1.00  0.00           H  
HETATM   47  H   UNL     1       3.032  -3.867  -0.691  1.00  0.00           H  
HETATM   48  H   UNL     1       2.886  -6.326  -1.013  1.00  0.00           H  
HETATM   49  H   UNL     1       0.692  -7.444  -0.682  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.266  -6.097  -0.038  1.00  0.00           H  
HETATM   51  H   UNL     1       4.271  -0.143  -0.446  1.00  0.00           H  
HETATM   52  H   UNL     1       6.319   5.338  -0.116  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.078   3.022  -3.461  1.00  0.00           H  
CONECT    1    2   27   27   26                                       
CONECT    2    3    1   30   31                                       
CONECT    3   20    2   32   33                                       
CONECT    4   25   20    5    5                                       
CONECT    5    4    4    6   34                                       
CONECT    6   23   23    5   21                                       
CONECT    7   21    8   35   36                                       
CONECT    8    9    7   37   38                                       
CONECT    9   22    8   39   40                                       
CONECT   10   11   22   29   29                                       
CONECT   11   28   10   41   42                                       
CONECT   12   13   22   43   44                                       
CONECT   13   12   21   45   46                                       
CONECT   14   15   25   25   23                                       
CONECT   15   24   24   16   14                                       
CONECT   16   17   17   15   47                                       
CONECT   17   18   16   16   48                                       
CONECT   18   19   19   17   49                                       
CONECT   19   18   18   24   50                                       
CONECT   20    4    3   51                                            
CONECT   21    6   13    7                                            
CONECT   22   12   10    9                                            
CONECT   23   14    6    6                                            
CONECT   24   19   15   15                                            
CONECT   25   14   14    4                                            
CONECT   26    1   52                                                 
CONECT   27    1    1                                                 
CONECT   28   11   53                                                 
CONECT   29   10   10                                                 
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
