COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.239   0.550  -0.188  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.870   0.029  -0.147  1.00  0.00           N  
HETATM    3  C   UNL     1       2.888   0.005   1.128  1.00  0.00           C  
HETATM    4  C   UNL     1       1.563  -0.348   1.020  1.00  0.00           C  
HETATM    5  C   UNL     1       0.743   0.296   0.094  1.00  0.00           C  
HETATM    6  C   UNL     1       1.268   1.296  -0.723  1.00  0.00           C  
HETATM    7  C   UNL     1       2.597   1.652  -0.618  1.00  0.00           C  
HETATM    8  C   UNL     1       3.419   1.015   0.311  1.00  0.00           C  
HETATM    9  C   UNL     1       0.863  -2.664  -0.837  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.505  -1.319  -0.240  1.00  0.00           N  
HETATM   11  C   UNL     1       1.579  -3.843  -0.863  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.091  -4.970   0.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.674   2.468  -0.893  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.871  -3.835   0.338  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.750   0.768  -0.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.392  -2.646  -0.222  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.685  -0.084  -0.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.759   0.736   1.240  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.166   1.336   1.192  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.194  -1.401  -0.165  1.00  0.00           C  
HETATM   21  N   UNL     1       1.091  -4.944  -0.322  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.125   2.628   0.495  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.251   1.901  -0.908  1.00  0.00           C  
HETATM   24  C   UNL     1       3.395   2.687  -1.375  1.00  0.00           C  
HETATM   25  C   UNL     1       4.823   2.625  -0.818  1.00  0.00           C  
HETATM   26  C   UNL     1       4.791   1.555   0.246  1.00  0.00           C  
HETATM   27  N   UNL     1       5.791   1.178   0.976  1.00  0.00           N  
HETATM   28  O   UNL     1       7.059   1.785   0.806  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.880  -0.152  -0.720  1.00  0.00           H  
HETATM   30  H   UNL     1       3.521  -0.494   1.846  1.00  0.00           H  
HETATM   31  H   UNL     1       1.158  -1.123   1.654  1.00  0.00           H  
HETATM   32  H   UNL     1       0.634   1.791  -1.444  1.00  0.00           H  
HETATM   33  H   UNL     1       1.269  -1.767  -1.281  1.00  0.00           H  
HETATM   34  H   UNL     1       2.551  -3.866  -1.332  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.452  -5.893   0.692  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.343   1.783  -1.416  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.684   3.437  -1.392  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.837  -3.864   0.818  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.703   1.843   0.071  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.792  -0.230   1.744  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.095   1.408   1.785  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.832   0.657   0.660  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.533   1.483   2.208  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.579   2.592  -0.398  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.923   1.768  -1.939  1.00  0.00           H  
HETATM   46  H   UNL     1       3.398   2.452  -2.439  1.00  0.00           H  
HETATM   47  H   UNL     1       5.525   2.355  -1.607  1.00  0.00           H  
HETATM   48  H   UNL     1       7.743   1.437   1.395  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.544   3.288   0.990  1.00  0.00           H  
HETATM   50  H   UNL     1       2.972   3.678  -1.212  1.00  0.00           H  
HETATM   51  H   UNL     1       5.099   3.583  -0.378  1.00  0.00           H  
CONECT    1   29    2   18   23                                       
CONECT    2    1   15   10                                            
CONECT    3   30    4    8    8                                       
CONECT    4    3   31    5    5                                       
CONECT    5    4    4    6   17                                       
CONECT    6    7    7    5   32                                       
CONECT    7    6    6    8   24                                       
CONECT    8    7   26    3    3                                       
CONECT    9   33   11   16   16                                       
CONECT   10   20   20    2                                            
CONECT   11    9   34   21   21                                       
CONECT   12   14   14   21   35                                       
CONECT   13   36   37   22   23                                       
CONECT   14   12   12   16   38                                       
CONECT   15    2   39   17   17                                       
CONECT   16   14   20    9    9                                       
CONECT   17   15   15    5   20                                       
CONECT   18   19    1   40   41                                       
CONECT   19   18   42   43   22                                       
CONECT   20   10   10   16   17                                       
CONECT   21   12   11   11                                            
CONECT   22   13   19   49                                            
CONECT   23   13    1   44   45                                       
CONECT   24    7   25   46   50                                       
CONECT   25   24   26   47   51                                       
CONECT   26    8   25   27   27                                       
CONECT   27   26   26   28                                            
CONECT   28   27   48                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
