COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.886   2.580  -0.424  1.00  0.00           C  
HETATM    2  C   UNL     1       1.454   2.580  -0.961  1.00  0.00           C  
HETATM    3  C   UNL     1       0.595   1.662  -0.132  1.00  0.00           C  
HETATM    4  C   UNL     1       1.123   0.732   0.679  1.00  0.00           C  
HETATM    5  C   UNL     1       2.606   0.547   0.838  1.00  0.00           C  
HETATM    6  C   UNL     1       0.241  -0.101   1.421  1.00  0.00           C  
HETATM    7  C   UNL     1       6.045  -2.963  -0.327  1.00  0.00           C  
HETATM    8  C   UNL     1       5.253  -1.117   0.976  1.00  0.00           C  
HETATM    9  C   UNL     1       5.226  -0.328  -0.159  1.00  0.00           C  
HETATM   10  C   UNL     1       5.602  -0.858  -1.379  1.00  0.00           C  
HETATM   11  C   UNL     1       4.779   1.109  -0.067  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.572   2.723  -1.021  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.029   2.368  -0.680  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.592   0.986   0.501  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.044   0.574   0.911  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.523  -0.531   0.006  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.825  -0.830  -1.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.402  -2.560  -1.655  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.657  -1.251   0.333  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.414  -0.929   1.596  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.079   0.059   1.303  1.00  0.00           N  
HETATM   22  C   UNL     1       6.011  -2.175  -1.463  1.00  0.00           C  
HETATM   23  C   UNL     1       5.664  -2.434   0.891  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.264  -1.844  -1.980  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.096  -2.265  -0.497  1.00  0.00           C  
HETATM   26  N   UNL     1       3.326   1.184  -0.270  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.769   1.788  -0.217  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.917   1.267   0.282  1.00  0.00           N  
HETATM   29  O   UNL     1       0.690  -0.962   2.162  1.00  0.00           O  
HETATM   30  H   UNL     1       3.541   3.095  -1.128  1.00  0.00           H  
HETATM   31  H   UNL     1       1.051   3.592  -0.916  1.00  0.00           H  
HETATM   32  H   UNL     1       2.927   0.994   1.779  1.00  0.00           H  
HETATM   33  H   UNL     1       6.365  -3.992  -0.393  1.00  0.00           H  
HETATM   34  H   UNL     1       4.955  -0.704   1.928  1.00  0.00           H  
HETATM   35  H   UNL     1       5.580  -0.241  -2.266  1.00  0.00           H  
HETATM   36  H   UNL     1       5.029   1.505   0.917  1.00  0.00           H  
HETATM   37  H   UNL     1       5.284   1.696  -0.834  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.382   2.572  -2.084  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.534   3.221  -0.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.856   1.281   1.082  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.725   0.151   1.864  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.937  -0.270  -1.404  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.745  -3.352  -2.304  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.221  -0.233   1.368  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.832  -1.846   2.012  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.738  -0.477   2.321  1.00  0.00           H  
HETATM   47  H   UNL     1       6.305  -2.589  -2.416  1.00  0.00           H  
HETATM   48  H   UNL     1       5.687  -3.050   1.778  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.720  -2.076  -2.883  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.985  -2.824  -0.243  1.00  0.00           H  
HETATM   51  H   UNL     1       2.918   3.083   0.542  1.00  0.00           H  
HETATM   52  H   UNL     1       1.456   2.238  -1.996  1.00  0.00           H  
HETATM   53  H   UNL     1       2.836  -0.519   0.850  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.354   3.753  -0.739  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.561   2.040  -1.574  1.00  0.00           H  
CONECT    1    2   26   30   51                                       
CONECT    2    3    1   31   52                                       
CONECT    3   27    2    4    4                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   26   32   53                                       
CONECT    6   21    4   29   29                                       
CONECT    7   22   22   23   33                                       
CONECT    8    9   23   23   34                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9   22   35                                       
CONECT   11   26    9   36   37                                       
CONECT   12   13   27   38   54                                       
CONECT   13   12   28   39   55                                       
CONECT   14   28   27   21   21                                       
CONECT   15   28   16   40   41                                       
CONECT   16   17   15   19   19                                       
CONECT   17   24   24   16   42                                       
CONECT   18   24   25   25   43                                       
CONECT   19   16   16   25   20                                       
CONECT   20   19   44   45   46                                       
CONECT   21   14   14    6                                            
CONECT   22   10    7    7   47                                       
CONECT   23    8    8    7   48                                       
CONECT   24   17   17   18   49                                       
CONECT   25   18   18   19   50                                       
CONECT   26    1    5   11                                            
CONECT   27   12   14    3                                            
CONECT   28   13   15   14                                            
CONECT   29    6    6                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    5                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
