COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.885   1.820   0.195  1.00  0.00           N  
HETATM    2  C   UNL     1       6.547   1.476   0.136  1.00  0.00           C  
HETATM    3  N   UNL     1       6.217   0.216  -0.112  1.00  0.00           N  
HETATM    4  C   UNL     1       4.950  -0.153  -0.176  1.00  0.00           C  
HETATM    5  N   UNL     1       5.631   2.413   0.335  1.00  0.00           N  
HETATM    6  C   UNL     1       4.344   2.123   0.287  1.00  0.00           C  
HETATM    7  C   UNL     1       3.954   0.807   0.022  1.00  0.00           C  
HETATM    8  C   UNL     1       2.519   0.438  -0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       1.532   1.401   0.153  1.00  0.00           C  
HETATM   10  N   UNL     1       2.156  -0.822  -0.289  1.00  0.00           N  
HETATM   11  C   UNL     1       0.877  -1.158  -0.348  1.00  0.00           C  
HETATM   12  N   UNL     1       0.539  -2.475  -0.608  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.920  -2.649  -0.632  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.249  -4.103  -0.982  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.617  -4.970  -0.036  1.00  0.00           O  
HETATM   16  C   UNL     1       0.806  -4.827   0.014  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156  -3.381   0.373  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.088  -0.270  -0.163  1.00  0.00           N  
HETATM   19  C   UNL     1       0.197   1.006   0.083  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.820   1.930   0.269  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.152   1.503   0.320  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.476   0.311   0.954  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.791  -0.112   1.005  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.151   2.275  -0.258  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.468   1.852  -0.206  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.448   2.607  -0.772  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.047   3.825  -1.402  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.789   0.654   0.424  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.083   0.237   0.475  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.339  -1.003   1.138  1.00  0.00           C  
HETATM   31  H   UNL     1       8.141   2.737   0.380  1.00  0.00           H  
HETATM   32  H   UNL     1       8.566   1.144   0.056  1.00  0.00           H  
HETATM   33  H   UNL     1       4.689  -1.181  -0.379  1.00  0.00           H  
HETATM   34  H   UNL     1       3.603   2.892   0.450  1.00  0.00           H  
HETATM   35  H   UNL     1       1.795   2.430   0.352  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.332  -2.408   0.347  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.353  -1.988  -1.383  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.329  -4.251  -0.945  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.884  -4.329  -1.983  1.00  0.00           H  
HETATM   40  H   UNL     1       1.212  -5.499   0.770  1.00  0.00           H  
HETATM   41  H   UNL     1       1.231  -5.075  -0.959  1.00  0.00           H  
HETATM   42  H   UNL     1       2.238  -3.253   0.356  1.00  0.00           H  
HETATM   43  H   UNL     1       0.777  -3.151   1.369  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.608   2.872   0.365  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.699  -0.287   1.407  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.040  -1.039   1.498  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.900   3.205  -0.747  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.565   4.472  -0.669  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.346   3.604  -2.207  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.923   4.329  -1.811  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.793  -1.803   0.637  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.012  -0.935   2.176  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.407  -1.218   1.107  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4                                            
CONECT    4    3    7    7   33                                       
CONECT    5    2    6    6                                            
CONECT    6    5    5    7   34                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   19   35                                       
CONECT   10    8   11   11                                            
CONECT   11   10   10   18   12                                       
CONECT   12   11   13   17                                            
CONECT   13   12   14   36   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   40   41                                       
CONECT   17   12   16   42   43                                       
CONECT   18   11   19   19                                            
CONECT   19    9   18   18   20                                       
CONECT   20   19   21   44                                            
CONECT   21   20   24   24   22                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   28   46                                       
CONECT   24   21   21   25   47                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27                                                 
CONECT   27   26   48   49   50                                       
CONECT   28   23   25   25   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   51   52   53                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
