COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.613   0.782  -0.266  1.00  0.00           C  
HETATM    2  C   UNL     1       3.322   0.563   0.216  1.00  0.00           C  
HETATM    3  C   UNL     1       2.743   1.549   1.040  1.00  0.00           C  
HETATM    4  N   UNL     1       3.444   2.641   1.322  1.00  0.00           N  
HETATM    5  N   UNL     1       5.242   1.898   0.063  1.00  0.00           N  
HETATM    6  C   UNL     1       4.963   0.058  -2.612  1.00  0.00           C  
HETATM    7  C   UNL     1       5.283  -0.242  -1.146  1.00  0.00           C  
HETATM    8  C   UNL     1       4.667   2.804   0.840  1.00  0.00           C  
HETATM    9  N   UNL     1       5.365   3.956   1.157  1.00  0.00           N  
HETATM   10  N   UNL     1       1.467   1.383   1.545  1.00  0.00           N  
HETATM   11  C   UNL     1       2.605  -0.631  -0.116  1.00  0.00           C  
HETATM   12  C   UNL     1       2.017  -1.610  -0.389  1.00  0.00           C  
HETATM   13  C   UNL     1       1.280  -2.837  -0.731  1.00  0.00           C  
HETATM   14  C   UNL     1       1.113  -2.925  -2.249  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.077  -2.807  -0.077  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.916  -1.730  -0.281  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.482  -3.861   0.722  1.00  0.00           C  
HETATM   18  C   UNL     1       0.436  -5.037   0.936  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.727  -3.840   1.325  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.572  -2.766   1.133  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.171  -1.704   0.324  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.077  -0.549   0.109  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.333  -0.526   0.716  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.174   0.545   0.517  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.770   1.609  -0.292  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.672   2.760  -0.506  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.766   2.780   0.023  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.281   3.786  -1.288  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.512   1.585  -0.900  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.670   0.515  -0.696  1.00  0.00           C  
HETATM   31  H   UNL     1       3.884   0.017  -2.764  1.00  0.00           H  
HETATM   32  H   UNL     1       5.329   1.052  -2.868  1.00  0.00           H  
HETATM   33  H   UNL     1       5.447  -0.683  -3.248  1.00  0.00           H  
HETATM   34  H   UNL     1       6.361  -0.202  -0.994  1.00  0.00           H  
HETATM   35  H   UNL     1       4.917  -1.236  -0.890  1.00  0.00           H  
HETATM   36  H   UNL     1       4.958   4.629   1.724  1.00  0.00           H  
HETATM   37  H   UNL     1       6.261   4.090   0.812  1.00  0.00           H  
HETATM   38  H   UNL     1       0.962   0.583   1.334  1.00  0.00           H  
HETATM   39  H   UNL     1       1.076   2.067   2.111  1.00  0.00           H  
HETATM   40  H   UNL     1       1.836  -3.705  -0.376  1.00  0.00           H  
HETATM   41  H   UNL     1       0.558  -2.057  -2.605  1.00  0.00           H  
HETATM   42  H   UNL     1       2.095  -2.948  -2.722  1.00  0.00           H  
HETATM   43  H   UNL     1       0.567  -3.834  -2.503  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.600  -0.910  -0.908  1.00  0.00           H  
HETATM   45  H   UNL     1       1.132  -4.812   1.745  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.154  -5.915   1.199  1.00  0.00           H  
HETATM   47  H   UNL     1       0.994  -5.233   0.021  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.038  -4.666   1.948  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.543  -2.750   1.604  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.645  -1.349   1.342  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.147   0.563   0.987  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.408   3.769  -1.710  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.873   4.541  -1.428  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.198   2.407  -1.526  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.696   0.498  -1.162  1.00  0.00           H  
CONECT    1    2    2    5    7                                       
CONECT    2    1    1    3   11                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    8                                            
CONECT    5    1    8    8                                            
CONECT    6    7   31   32   33                                       
CONECT    7    1    6   34   35                                       
CONECT    8    4    5    5    9                                       
CONECT    9    8   36   37                                            
CONECT   10    3   38   39                                            
CONECT   11    2   12   12   12                                       
CONECT   12   11   11   11   13                                       
CONECT   13   12   14   15   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   13   16   16   17                                       
CONECT   16   15   15   21   44                                       
CONECT   17   15   19   19   18                                       
CONECT   18   17   45   46   47                                       
CONECT   19   17   17   20   48                                       
CONECT   20   19   21   21   49                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   23   30                                       
CONECT   23   22   22   24   50                                       
CONECT   24   23   25   25   51                                       
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   52   53                                            
CONECT   29   25   30   30   54                                       
CONECT   30   22   29   29   55                                       
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
