COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.610  -3.457  -0.269  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.725  -4.553  -0.505  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.066  -2.211  -0.277  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.871  -1.102  -0.054  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.321   0.162  -0.062  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.957   0.327  -0.292  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.151  -0.789  -0.515  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.705  -2.052  -0.501  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.363   1.686  -0.301  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.069   2.033   0.164  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.918   3.394  -0.027  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.062   3.855  -0.581  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.941   2.779  -0.747  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.067   1.110   0.746  1.00  0.00           C  
HETATM   15  C   UNL     1       1.136   0.879   0.084  1.00  0.00           C  
HETATM   16  C   UNL     1       2.073   0.011   0.636  1.00  0.00           C  
HETATM   17  C   UNL     1       1.803  -0.622   1.848  1.00  0.00           C  
HETATM   18  C   UNL     1       0.608  -0.390   2.501  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.323   0.475   1.961  1.00  0.00           C  
HETATM   20  C   UNL     1       3.357  -0.240  -0.064  1.00  0.00           C  
HETATM   21  C   UNL     1       4.292  -1.113   0.486  1.00  0.00           C  
HETATM   22  C   UNL     1       5.491  -1.344  -0.173  1.00  0.00           C  
HETATM   23  C   UNL     1       5.754  -0.704  -1.379  1.00  0.00           C  
HETATM   24  C   UNL     1       4.826   0.162  -1.923  1.00  0.00           C  
HETATM   25  C   UNL     1       3.628   0.392  -1.276  1.00  0.00           C  
HETATM   26  N   UNL     1       6.432  -2.218   0.374  1.00  0.00           N  
HETATM   27  N   UNL     1       0.201   4.149   0.295  1.00  0.00           N  
HETATM   28  H   UNL     1      -4.286  -5.487  -0.472  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.262  -4.442  -1.485  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.951  -4.567   0.263  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.928  -1.230   0.124  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.948   1.025   0.111  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.093  -0.665  -0.693  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.082  -2.917  -0.673  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.242   4.776  -0.826  1.00  0.00           H  
HETATM   36  H   UNL     1       1.342   1.372  -0.855  1.00  0.00           H  
HETATM   37  H   UNL     1       2.529  -1.296   2.278  1.00  0.00           H  
HETATM   38  H   UNL     1       0.403  -0.884   3.439  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.256   0.652   2.476  1.00  0.00           H  
HETATM   40  H   UNL     1       4.085  -1.609   1.423  1.00  0.00           H  
HETATM   41  H   UNL     1       6.688  -0.884  -1.891  1.00  0.00           H  
HETATM   42  H   UNL     1       5.036   0.658  -2.859  1.00  0.00           H  
HETATM   43  H   UNL     1       2.902   1.066  -1.707  1.00  0.00           H  
HETATM   44  H   UNL     1       6.248  -2.664   1.216  1.00  0.00           H  
HETATM   45  H   UNL     1       7.270  -2.380  -0.087  1.00  0.00           H  
HETATM   46  H   UNL     1       0.207   5.104   0.124  1.00  0.00           H  
HETATM   47  H   UNL     1       0.976   3.722   0.692  1.00  0.00           H  
CONECT    1    3    2                                                 
CONECT    2    1   28   29   30                                       
CONECT    3    8    8    4    1                                       
CONECT    4    5    5    3   31                                       
CONECT    5    6    4    4   32                                       
CONECT    6    9    7    7    5                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7    3    3   34                                       
CONECT    9   10   13   13    6                                       
CONECT   10   11   11   14    9                                       
CONECT   11   27   12   10   10                                       
CONECT   12   11   13   35                                            
CONECT   13   12    9    9                                            
CONECT   14   19   10   15   15                                       
CONECT   15   14   14   16   36                                       
CONECT   16   17   17   15   20                                       
CONECT   17   18   16   16   37                                       
CONECT   18   19   19   17   38                                       
CONECT   19   18   18   14   39                                       
CONECT   20   16   25   25   21                                       
CONECT   21   20   22   22   40                                       
CONECT   22   21   21   23   26                                       
CONECT   23   24   24   22   41                                       
CONECT   24   25   23   23   42                                       
CONECT   25   20   20   24   43                                       
CONECT   26   22   44   45                                            
CONECT   27   11   46   47                                            
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
