HEADER                                                                          
TITLE                                                                 
COMPND
KEYWDS
EXPDTA
AUTHOR                                                                
REVDAT
HET             1   13
HETNAM        
FORMUL         
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1
ORIGX1      1.000000  0.000000  0.000000        0.00000
ORIGX2      0.000000  1.000000  0.000000        0.00000
ORIGX3      0.000000  0.000000  1.000000        0.00000
SCALE1      1.000000  0.000000  0.000000        0.00000
SCALE2      0.000000  1.000000  0.000000        0.00000
SCALE3      0.000000  0.000000  1.000000        0.00000
HETATM    1  C           1       2.043   0.936   0.000                       C  
HETATM    2  C           1       0.503   0.936   0.000                       C  
HETATM    3  H           1       0.146   1.944   0.000                       H  
HETATM    4  O           1       2.520   1.610   1.168                       O  
HETATM    5  O           1       2.520   1.610  -1.168                       O  
HETATM    6  H           1       3.053   2.364  -0.907                       H  
HETATM    7  N           1       0.013   0.243  -1.200                       N  
HETATM    8  H           1       0.791  -0.072  -1.745                       H  
HETATM    9  H           1      -0.543  -0.543  -0.928                       H  
HETATM   10  C           1      -0.010   0.210   1.257                       C  
HETATM   11  H           1       0.346  -0.799   1.258                       H  
HETATM   12  H           1       0.346   0.714   2.131                       H  
HETATM   13  H           1      -1.080   0.210   1.257                       H  
MASTER        0    0    0    0    0    0    0    6   13    0    0    0
END