*HEADER    RNA                                     28-MAY-08   2RPK              
*TITLE     SOLUTION STRUCTURE OF DOMAIN II OF THE POSITIVE POLARITY              
*TITLE    2 CCHMVD HAMMERHEAD RIBOZYME                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA (5'-                                                   
*COMPND   3 R(*GP*GP*GP*AP*UP*CP*CP*AP*UP*GP*AP*CP*AP*GP*GP*AP*UP*CP*CP          
*COMPND   4 *C)-3');                                                             
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    HAMMERHEAD RIBOZYME, VIROID, CCHMVD, HEXALOOP, RNA                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    J.GALLEGO, D.DUFOUR, M.DE LA PENA, S.GAGO, R.FLORES                   
*REVDAT   1   30-DEC-08 2RPK    0                                                


# MNR distance constraints for domain II of the (+) CChMVd hammerhead ribozyme.
#
# hydrogen bond:
 &rst iat=  1, 20, atnam(1)='H21 ', atnam(2)='O2  ',
     r1=   0.700,r2=   1.700,r3=   2.000,r4=   3.000, 
     rk2=  30.000, rk3=  30.000 , ir6=1, iresid=1, &end
 &rst iat=  1, 20, atnam(1)='H1  ', atnam(2)='N3  ', iresid=1, /   
 &rst iat=  1, 20, atnam(1)='O6  ', atnam(2)='H41 ', iresid=1, /   
 &rst iat=  2, 19, atnam(1)='H21 ', atnam(2)='O2  ', iresid=1, /   
 &rst iat=  2, 19, atnam(1)='H1  ', atnam(2)='N3  ', iresid=1, /   
 &rst iat=  2, 19, atnam(1)='O6  ', atnam(2)='H41 ', iresid=1, /   
 &rst iat=  3, 18, atnam(1)='H21 ', atnam(2)='O2  ', iresid=1, /   
 &rst iat=  3, 18, atnam(1)='H1  ', atnam(2)='N3  ', iresid=1, /   
 &rst iat=  3, 18, atnam(1)='O6  ', atnam(2)='H41 ', iresid=1, /   
 &rst iat=  4, 17, atnam(1)='H61 ', atnam(2)='O4  ', iresid=1, /   
 &rst iat=  4, 17, atnam(1)='N1  ', atnam(2)='H3  ', iresid=1, /   
 &rst iat=  5, 16, atnam(1)='O4  ', atnam(2)='H61 ', iresid=1, /   
 &rst iat=  5, 16, atnam(1)='H3  ', atnam(2)='N1  ', iresid=1, /   
 &rst iat=  6, 15, atnam(1)='O2  ', atnam(2)='H21 ', iresid=1, /   
 &rst iat=  6, 15, atnam(1)='N3  ', atnam(2)='H1  ', iresid=1, /   
 &rst iat=  6, 15, atnam(1)='H41 ', atnam(2)='O6  ', iresid=1, /   
 &rst iat=  7, 14, atnam(1)='O2  ', atnam(2)='H21 ', iresid=1, /   
 &rst iat=  7, 14, atnam(1)='N3  ', atnam(2)='H1  ', iresid=1, /   
 &rst iat=  7, 14, atnam(1)='H41 ', atnam(2)='O6  ', iresid=1, /   
#
# stem, inter: 
 &rst iat=  1,  2, atnam(1)='H1''', atnam(2)= 'H8  ',
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat=  2,  3, atnam(1)='H1''', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat=  3,  4, atnam(1)='H1''', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat=  4,  5, atnam(1)='H1''', atnam(2)= 'H6  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /  
 &rst iat=  6,  7, atnam(1)='H1''', atnam(2)= 'H6  ', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 14, 15, atnam(1)='H1''', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat= 15, 16, atnam(1)='H1''', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat= 16, 17, atnam(1)='H1''', atnam(2)= 'H6  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat= 17, 18, atnam(1)='H1''', atnam(2)= 'H6  ', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H1''', atnam(2)= 'H6  ', iresid=1, / 
#
 &rst iat=  1,  2, atnam(1)='H2''1', atnam(2)= 'H8  ',
     r1=   0.000,r2=   0.000,r3=   2.500,r4=   3.500, iresid=1, /   
 &rst iat=  2,  3, atnam(1)='H2''1', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat=  3,  4, atnam(1)='H2''1', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat=  4,  5, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat=  5,  6, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat=  6,  7, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat= 14, 15, atnam(1)='H2''1', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat= 15, 16, atnam(1)='H2''1', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat= 16, 17, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat= 17, 18, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat= 18, 19, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H2''1', atnam(2)= 'H6  ', iresid=1, /   
#
 &rst iat=  1,  2, atnam(1)='H3''', atnam(2)= 'H8  ',
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat=  2,  3, atnam(1)='H3''', atnam(2)= 'H8  ', 
     r1=   1.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat=  4,  5, atnam(1)='H3''', atnam(2)= 'H6  ', 
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat=  6,  7, atnam(1)='H3''', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat= 14, 15, atnam(1)='H3''', atnam(2)= 'H8  ', iresid=1, /   
 &rst iat= 16, 17, atnam(1)='H3''', atnam(2)= 'H6  ', iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H3''', atnam(2)= 'H6  ', iresid=1, /  
#
 &rst iat=  4,  5, atnam(1)='H1''', atnam(2)= 'H5  ',
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  6,  7, atnam(1)='H1''', atnam(2)= 'H5  ', iresid=1, /
 &rst iat= 16, 17, atnam(1)='H1''', atnam(2)= 'H5  ', iresid=1, /   
#
 &rst iat=  4,  5, atnam(1)='H2''1', atnam(2)= 'H5  ',
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat=  5,  6, atnam(1)='H2''1', atnam(2)= 'H5  ', iresid=1, /
 &rst iat=  6,  7, atnam(1)='H2''1', atnam(2)= 'H5  ', iresid=1, /
 &rst iat= 16, 17, atnam(1)='H2''1', atnam(2)= 'H5  ', iresid=1, /   
 &rst iat= 17, 18, atnam(1)='H2''1', atnam(2)= 'H5  ', iresid=1, /  
 &rst iat= 18, 19, atnam(1)='H2''1', atnam(2)= 'H5  ', iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H2''1', atnam(2)= 'H5  ', iresid=1, /  
#
 &rst iat=  4,  5, atnam(1)='H3''', atnam(2)= 'H5  ',
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  6,  7, atnam(1)='H3''', atnam(2)= 'H5  ', iresid=1, /
 &rst iat= 16, 17, atnam(1)='H3''', atnam(2)= 'H5  ', iresid=1, /  
 &rst iat= 17, 18, atnam(1)='H3''', atnam(2)= 'H5  ', iresid=1, /  
 &rst iat= 18, 19, atnam(1)='H3''', atnam(2)= 'H5  ', iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H3''', atnam(2)= 'H5  ', iresid=1, /  
# 
 &rst iat=  1,  2, atnam(1)='H8  ', atnam(2)='H8  ',
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat=  2,  3, atnam(1)='H8  ', atnam(2)='H8  ', iresid=1, /   
 &rst iat=  3,  4, atnam(1)='H8  ', atnam(2)='H8  ', iresid=1, /   
 &rst iat=  4,  5, atnam(1)='H8  ', atnam(2)='H6  ', iresid=1, /   
 &rst iat=  5,  6, atnam(1)='H6  ', atnam(2)='H6  ', iresid=1, /   
 &rst iat=  6,  7, atnam(1)='H6  ', atnam(2)='H6  ', iresid=1, /   
 &rst iat= 14, 15, atnam(1)='H8  ', atnam(2)='H8  ', iresid=1, /   
 &rst iat= 15, 16, atnam(1)='H8  ', atnam(2)='H8  ', iresid=1, /   
 &rst iat= 16, 17, atnam(1)='H8  ', atnam(2)='H6  ', iresid=1, /   
 &rst iat= 17, 18, atnam(1)='H6  ', atnam(2)='H6  ', iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H6  ', atnam(2)='H6  ', iresid=1, /   
#
 &rst iat=  4,  5, atnam(1)='H8  ', atnam(2)= 'H5  ',
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat=  5,  6, atnam(1)='H6  ', atnam(2)= 'H5  ', iresid=1, /
 &rst iat=  6,  7, atnam(1)='H6  ', atnam(2)= 'H5  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /  
 &rst iat= 16, 17, atnam(1)='H8  ', atnam(2)= 'H5  ', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 17, 18, atnam(1)='H6  ', atnam(2)= 'H5  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, / 
 &rst iat= 18, 19, atnam(1)='H6  ', atnam(2)= 'H5  ', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
#
 &rst iat=  5,  6, atnam(1)='H5  ', atnam(2)= 'H5  ',
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /
 &rst iat=  6,  7, atnam(1)='H5  ', atnam(2)= 'H5  ', iresid=1, /
 &rst iat= 17, 18, atnam(1)='H5  ', atnam(2)= 'H5  ', iresid=1, /
#
 &rst iat=  4,  4, atnam(1)='H2  ', atnam(2)='H1''',
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H2  ', atnam(2)='H1''',  iresid=1, /   
 &rst iat=  4,  5, atnam(1)='H2  ', atnam(2)='H1''',
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat= 16, 17, atnam(1)='H2  ', atnam(2)='H1''',  iresid=1, /   
 &rst iat=  4,  5, atnam(1)='H2  ', atnam(2)='H6  ',
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /
 &rst iat= 16, 17, atnam(1)='H2  ', atnam(2)='H6  ',  iresid=1, /
 &rst iat=  4, 18, atnam(1)='H2  ', atnam(2)='H1''',
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat= 16,  6, atnam(1)='H2  ', atnam(2)='H1''',  iresid=1, /   
#
 &rst iat=  4,  5, atnam(1)='H1''', atnam(2)='H1''', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 14, 15, atnam(1)='H1''', atnam(2)='H1''', iresid=1, /   
 &rst iat= 16, 17, atnam(1)='H1''', atnam(2)='H1''', iresid=1, /   
 &rst iat= 19, 20, atnam(1)='H1''', atnam(2)='H1''', iresid=1, /   
#
 &rst iat=  1,  2, atnam(1)='H2''1', atnam(2)='H1''',              
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat=  2,  3, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat=  3,  4, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.000,r2=   3.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat=  4,  5, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat=  5,  6, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.000,r2=   3.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat=  6,  7, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat= 15, 16, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.000,r2=   3.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat= 16, 17, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat= 17, 18, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.000,r2=   3.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat= 18, 19, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, /  
 &rst iat= 19, 20, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
#
 &rst iat=  1,  2, atnam(1)='H1''', atnam(2)='H5''1',              
     r1=   3.000,r2=   4.000,r3=  8.000,r4=  9.000, iresid=1, /    
 &rst iat=  2,  3, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat=  3,  4, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat=  4,  5, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat=  5,  6, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat=  6,  7, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat= 14, 15, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat= 15, 16, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat= 16, 17, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat= 17, 18, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat= 18, 19, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat= 19, 20, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, /  
 &rst iat=  1,  2, atnam(1)='H1''', atnam(2)='H5''2',              
     r1=   3.000,r2=   4.000,r3=  8.000,r4=  9.000, iresid=1, /    
 &rst iat=  2,  3, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat=  3,  4, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat=  4,  5, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat=  5,  6, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat=  6,  7, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat= 14, 15, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat= 15, 16, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat= 16, 17, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat= 17, 18, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat= 18, 19, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
 &rst iat= 19, 20, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, /  
#
# stem, intra: 
 &rst iat=  1,  1, atnam(1)='H8  ', atnam(2)= 'H1''',
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  2,  2, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat=  3,  3, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat=  4,  4, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat=  5,  5, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat=  7,  7, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 14, 14, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 15, 15, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 17, 17, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 18, 18, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /  
 &rst iat= 19, 19, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /  
 &rst iat= 20, 20, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /   
#
 &rst iat=  1,  1, atnam(1)='H8  ', atnam(2)=   'H2''1',
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  2,  2, atnam(1)='H8  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat=  3,  3, atnam(1)='H8  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat=  4,  4, atnam(1)='H8  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat=  5,  5, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat=  6,  6, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat=  7,  7, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat= 14, 14, atnam(1)='H8  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H8  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat= 17, 17, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat= 18, 18, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, / 
 &rst iat= 19, 19, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, /   
 &rst iat= 20, 20, atnam(1)='H6  ', atnam(2)=   'H2''1', iresid=1, /   
#
 &rst iat=  1,  1, atnam(1)='H8  ', atnam(2)= 'H3''',
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat=  2,  2, atnam(1)='H8  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat=  3,  3, atnam(1)='H8  ', atnam(2)= 'H3''', iresid=1, /  
 &rst iat=  4,  4, atnam(1)='H8  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat=  5,  5, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat=  6,  6, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat=  7,  7, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat= 14, 14, atnam(1)='H8  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat= 15, 15, atnam(1)='H8  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H8  ', atnam(2)= 'H3''', iresid=1, /   
 &rst iat= 17, 17, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, / 
 &rst iat= 18, 18, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, / 
 &rst iat= 19, 19, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, / 
 &rst iat= 20, 20, atnam(1)='H6  ', atnam(2)= 'H3''', iresid=1, / 
#
 &rst iat=  1,  1, atnam(1)='H8  ', atnam(2)= 'H4''',
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat=  2,  2, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat=  3,  3, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat=  4,  4, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat=  5,  5, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /  
 &rst iat=  6,  6, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat=  7,  7, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /  
 &rst iat= 14, 14, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat= 15, 15, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /  
 &rst iat= 17, 17, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat= 18, 18, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat= 19, 19, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /  
 &rst iat= 20, 20, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /   
#
 &rst iat=  1,  1, atnam(1)='H8  ', atnam(2)='H5''1',
     r1=   2.500,r2=   3.500,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat=  2,  2, atnam(1)='H8  ', atnam(2)='H5''1', iresid=1, /
 &rst iat=  3,  3, atnam(1)='H8  ', atnam(2)='H5''1', iresid=1, /
 &rst iat=  4,  4, atnam(1)='H8  ', atnam(2)='H5''1', iresid=1, /
 &rst iat=  5,  5, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat=  6,  6, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat=  7,  7, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 14, 14, atnam(1)='H8  ', atnam(2)='H5''1', 
     r1=   1.000,r2=   2.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat= 15, 15, atnam(1)='H8  ', atnam(2)='H5''1', 
     r1=   2.500,r2=   3.500,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H8  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 17, 17, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 18, 18, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 19, 19, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 20, 20, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
#
 &rst iat=  1,  1, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  2,  2, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  3,  3, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  4,  4, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  5,  5, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  6,  6, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  7,  7, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 14, 14, atnam(1)='H8  ', atnam(2)='H5''2', 
     r1=   1.000,r2=   2.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat= 15, 15, atnam(1)='H8  ', atnam(2)='H5''2', 
     r1=   2.500,r2=   3.500,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 16, 16, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 17, 17, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 18, 18, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 19, 19, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 20, 20, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
#
# loop, inter:
 &rst iat=  7,  8, atnam(1)='H1''', atnam(2)= 'H8  ', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H2''1', atnam(2)= 'H8  ', 
     r1=   0.000,r2=   0.000,r3=   2.500,r4=   3.500, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H3''', atnam(2)= 'H8  ', 
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H4''', atnam(2)= 'H8  ', 
     r1=   3.000,r2=   4.000,r3=   5.500,r4=   6.500, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H1''', atnam(2)='H1''', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H1''', atnam(2)='H5''1',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H1''', atnam(2)='H5''2',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat=  7,  8, atnam(1)='H6  ', atnam(2)='H8  ', 
     r1=   3.500,r2=   4.500,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  7,  8, atnam(1)='H5  ', atnam(2)='H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, / 
#
 &rst iat=  8,  9, atnam(1)='H1''', atnam(2)= 'H6  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H2''1', atnam(2)= 'H6  ', 
     r1=   0.000,r2=   0.000,r3=   2.500,r4=   3.500, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H3''', atnam(2)= 'H6  ', 
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H4''', atnam(2)= 'H6  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H1''', atnam(2)= 'H5  ', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H2''1', atnam(2)= 'H5  ', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H3''', atnam(2)= 'H5  ', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H1''', atnam(2)= 'H1''', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H1''', atnam(2)='H4''',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, / 
 &rst iat=  8,  9, atnam(1)='H1''', atnam(2)='H5''1',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H1''', atnam(2)='H5''2',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H2''1', atnam(2)='H4''', 
     r1=   2.000,r2=   3.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H2''1', atnam(2)='H5''1',              
     r1=   1.000,r2=   2.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H2''1', atnam(2)='H5''2',              
     r1=   1.000,r2=   2.000,r3=   5.000,r4=   6.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H3''', atnam(2)='H3''', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H3''', atnam(2)='H4''', 
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H3''', atnam(2)='H5''1',              
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H3''', atnam(2)='H5''2',              
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat=  8,  9, atnam(1)='H8  ', atnam(2)='H5  ',              
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H8  ', atnam(2)='H6  ',              
     r1=   3.000,r2=   4.000,r3=   5.500,r4=   6.500, iresid=1, /   
#
 &rst iat=  9, 10, atnam(1)='H1''', atnam(2)= 'H8  ', 
     r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, / 
 &rst iat=  9, 10, atnam(1)='H2''1', atnam(2)= 'H8  ', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat=  9, 10, atnam(1)='H3''', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, / 
 &rst iat=  9, 10, atnam(1)='H4''', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat=  9, 10, atnam(1)='H2''1', atnam(2)='H2''1', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat=  9, 10, atnam(1)='H2''1', atnam(2)='H3''',   
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat=  9, 10, atnam(1)='H3''', atnam(2)='H2''1', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat=  9, 10, atnam(1)='H1''', atnam(2)='H1''', 
     r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat=  9, 10, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat=  9, 10, atnam(1)='H1''', atnam(2)='H5''1',              
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat=  9, 10, atnam(1)='H1''', atnam(2)='H5''2',              
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /   
#
 &rst iat= 10, 11, atnam(1)='H1''', atnam(2)= 'H8  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)= 'H8  ', 
     r1=   1.000,r2=   2.000,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H3''', atnam(2)= 'H8  ', 
     r1=   1.000,r2=   2.000,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H4''', atnam(2)= 'H8  ', 
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H5''1', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H5''2', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H1''', atnam(2)='H1''', 
     r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H1''', atnam(2)='H2''1',              
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H1''', atnam(2)='H3''',              
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H1''', atnam(2)='H5''1',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H1''', atnam(2)='H5''2',              
     r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)= 'H3''', 
     r1=   3.500,r2=   4.500,r3=   6.500,r4=   7.500, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)= 'H4''', 
     r1=   3.500,r2=   4.500,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)= 'H5''1', 
     r1=   3.500,r2=   4.500,r3=   7.000,r4=   8.000, iresid=1, / 
 &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)= 'H5''2', 
     r1=   3.500,r2=   4.500,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H3''', atnam(2)='H1''', 
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H3''', atnam(2)= 'H3''', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H4''', atnam(2)= 'H3''', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H8  ', atnam(2)='H8  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
#
 &rst iat= 11, 12, atnam(1)='H1''', atnam(2)= 'H6  ',
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H2''1', atnam(2)= 'H6  ', 
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H3''', atnam(2)= 'H6  ', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H1''', atnam(2)= 'H5  ',
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H2''1', atnam(2)= 'H5  ', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H3''', atnam(2)= 'H5  ', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H1''', atnam(2)='H1''', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H1''', atnam(2)= 'H5''1', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H1''', atnam(2)= 'H5''2', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H2''1', atnam(2)='H1''', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H2''1', atnam(2)='H3''', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H3''', atnam(2)='H5''1', 
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H3''', atnam(2)='H5''2', 
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H8  ', atnam(2)='H6  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat= 11, 12, atnam(1)='H8  ', atnam(2)='H5  ', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /  
#
 &rst iat= 12, 13, atnam(1)='H1''', atnam(2)= 'H8  ',
      r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 12, 13, atnam(1)='H2''1', atnam(2)= 'H8  ',
      r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat= 12, 13, atnam(1)='H3''', atnam(2)= 'H8  ', 
      r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /  
 &rst iat= 12, 13, atnam(1)='H5''1', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 12, 13, atnam(1)='H5''2', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 12, 13, atnam(1)='H1''', atnam(2)='H1''', 
      r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat= 12, 13, atnam(1)='H2''1', atnam(2)='H1''',              
      r1=   3.000,r2=   4.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 12, 13, atnam(1)='H6  ', atnam(2)='H8  ',                
      r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /    
 &rst iat= 12, 13, atnam(1)='H5  ', atnam(2)='H8  ',                
      r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /    
#
 &rst iat= 13, 14, atnam(1)='H1''', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /  
 &rst iat= 13, 14, atnam(1)='H2''1', atnam(2)= 'H8  ', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat= 13, 14, atnam(1)='H3''', atnam(2)= 'H8  ', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
 &rst iat= 13, 14, atnam(1)='H4''', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 13, 14, atnam(1)='H1''', atnam(2)='H1''',                
     r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 13, 14, atnam(1)='H2''1', atnam(2)='H1''',              
     r1=   2.500,r2=   3.500,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 13, 14, atnam(1)='H1''', atnam(2)='H5''1',              
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 13, 14, atnam(1)='H1''', atnam(2)='H5''2',              
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 13, 14, atnam(1)='H2''1', atnam(2)='H5''1',              
     r1=   2.500,r2=   3.500,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 13, 14, atnam(1)='H2''1', atnam(2)='H5''2',              
     r1=   2.500,r2=   3.500,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat= 13, 14, atnam(1)='H8  ', atnam(2)='H8  ', 
      r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /  
# 
 &rst iat= 8, 13, atnam(1)='H2  ', atnam(2)='H1''',
    r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 8, 14, atnam(1)='H2  ', atnam(2)='H1''',
    r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat= 8,  9, atnam(1)='H2  ', atnam(2)='H1''',
    r1=   4.000,r2=   5.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  8, 14, atnam(1)='H2  ', atnam(2)='H2''1', 
    r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat=  8, 13, atnam(1)='H2  ', atnam(2)='H2''1', 
    r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat=  8,  9, atnam(1)='H2  ', atnam(2)='H4''', 
    r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 13,  8, atnam(1)='H2  ', atnam(2)='H1''',
    r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /   
 &rst iat= 13,  9, atnam(1)='H2  ', atnam(2)='H1''',
    r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat= 13, 14, atnam(1)='H2  ', atnam(2)='H1''',
    r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /   
 &rst iat= 13, 12, atnam(1)='H2  ', atnam(2)='H2''1', 
    r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, / 
 &rst iat= 13, 12, atnam(1)='H2  ', atnam(2)='H5  ',
    r1=   3.500,r2=   4.500,r3=   7.000,r4=   8.000, iresid=1, /
 &rst iat=  8, 13, atnam(1)='H2  ', atnam(2)='H2  ',  
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /  
 &rst iat= 11, 12, atnam(1)='H2  ', atnam(2)='H1''', 
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, / 
 &rst iat= 11, 12, atnam(1)='H2  ', atnam(2)='H2''1', 
    r1=   4.000,r2=   5.000,r3=   7.500,r4=   8.500, iresid=1, /   
#
 &rst iat=  9, 11, atnam(1)='H1''', atnam(2)= 'H8  ', 
     r1=   3.500,r2=   4.500,r3=   5.500,r4=   6.500, iresid=1, /    
 &rst iat=  9, 11, atnam(1)='H4''', atnam(2)= 'H8  ', 
     r1=   4.000,r2=   5.000,r3=   7.000,r4=   8.000, iresid=1, /  
 &rst iat=  9, 11, atnam(1)='H2''1', atnam(2)= 'H8  ', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /    
 &rst iat=  9, 12, atnam(1)='H1''', atnam(2)= 'H5  ',
    r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  9, 12, atnam(1)='H1''', atnam(2)= 'H6  ',
    r1=   4.000,r2=   5.000,r3=   7.500,r4=   8.500, iresid=1, /  
#
 &rst iat= 14,  8, atnam(1)='H1  ', atnam(2)='H1''',
     r1=   1.000,r2=   2.000,r3=   6.000,r4=   7.000, iresid=1, /
 &rst iat= -1, 11, igr1= 10, 10,
      grnam1(1)='H21',grnam1(2)= 'H22', atnam(2)='H1''',               
      r1=   0.000,r2=   0.000,r3=   5.000,r4=   6.000,  iresid=1, /
#
 &rst iat=  9, 11, atnam(1)='H1''', atnam(2)= 'H1''',  
      r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat=  9, 11, atnam(1)='H3''', atnam(2)= 'H2''1',  
      r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat= 10, 11, atnam(1)='H5''1', atnam(2)= 'H3''', 
     r1=   4.000,r2=   5.000,r3=  98.000,r4=  99.000, iresid=1, /   
 &rst iat= 10, 11, atnam(1)='H5''2', atnam(2)= 'H3''', iresid=1, /
 &rst iat= 11, 12, atnam(1)='H4''', atnam(2)= 'H1''',  
      r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat= 11, 12, atnam(1)='H5''1', atnam(2)= 'H1''',  iresid=1, /  
 &rst iat= 11, 12, atnam(1)='H5''2', atnam(2)= 'H1''',  iresid=1, /  
 &rst iat= 13, 12, atnam(1)='H1''', atnam(2)= 'H6  ',
      r1=   4.500,r2=   5.500,r3=  98.000,r4=  99.000, iresid=1, /  
 &rst iat= 13, 12, atnam(1)='H1''', atnam(2)= 'H5  ',  iresid=1, /
#
# loop, intra: 
 &rst iat=  8,  8, atnam(1)='H8  ', atnam(2)= 'H1''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  9,  9, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /
 &rst iat= 10, 10, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 11, 11, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /
 &rst iat= 12, 12, atnam(1)='H6  ', atnam(2)= 'H1''', iresid=1, /   
 &rst iat= 13, 13, atnam(1)='H8  ', atnam(2)= 'H1''', iresid=1, /
#
 &rst iat=  8,  8, atnam(1)='H2  ', atnam(2)='H1''',
     r1=   3.000,r2=   4.000,r3=   5.000,r4=   6.000, iresid=1, /   
 &rst iat= 11, 11, atnam(1)='H2  ', atnam(2)='H1''',  iresid=1, /
 &rst iat= 13, 13, atnam(1)='H2  ', atnam(2)='H1''',  iresid=1, /  
#
 &rst iat=  8,  8, atnam(1)='H8  ', atnam(2)=   'H2''1', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat=  9,  9, atnam(1)='H6  ', atnam(2)=   'H2''1', 
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat= 10, 10, atnam(1)='H8  ', atnam(2)=   'H2''1', 
     r1=   1.500,r2=   2.500,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat= 11, 11, atnam(1)='H8  ', atnam(2)=   'H2''1', 
     r1=   1.500,r2=   2.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat= 12, 12, atnam(1)='H6  ', atnam(2)=   'H2''1',       
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat= 13, 13, atnam(1)='H8  ', atnam(2)=   'H2''1',
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
#
 &rst iat=  8,  8, atnam(1)='H8  ', atnam(2)= 'H3''', 
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat=  9,  9, atnam(1)='H6  ', atnam(2)= 'H3''', 
     r1=   1.500,r2=   2.500,r3=   3.500,r4=   4.500, iresid=1, /   
 &rst iat= 10, 10, atnam(1)='H8  ', atnam(2)= 'H3''', 
     r1=   2.500,r2=   3.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat= 11, 11, atnam(1)='H8  ', atnam(2)= 'H3''', 
     r1=   1.500,r2=   2.500,r3=   4.500,r4=   5.500, iresid=1, /   
 &rst iat= 12, 12, atnam(1)='H6  ', atnam(2)= 'H3''', 
     r1=   2.000,r2=   3.000,r3=   4.000,r4=   5.000, iresid=1, /   
 &rst iat= 13, 13, atnam(1)='H8  ', atnam(2)= 'H3''', 
     r1=   1.500,r2=   2.500,r3=   4.000,r4=   5.000, iresid=1, /   
#
 &rst iat=  8,  8, atnam(1)='H8  ', atnam(2)= 'H4''', 
     r1=   3.000,r2=   4.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  9,  9, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat= 10, 10, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /   
 &rst iat= 11, 11, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /  
 &rst iat= 12, 12, atnam(1)='H6  ', atnam(2)= 'H4''', iresid=1, /
 &rst iat= 13, 13, atnam(1)='H8  ', atnam(2)= 'H4''', iresid=1, /
#
 &rst iat=  8,  8, atnam(1)='H8  ', atnam(2)='H5''1', 
     r1=   2.500,r2=   3.500,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat=  8,  8, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat=  9,  9, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat=  9,  9, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 10, 10, atnam(1)='H8  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 10, 10, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 11, 11, atnam(1)='H8  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 11, 11, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 12, 12, atnam(1)='H6  ', atnam(2)='H5''1', iresid=1, /
 &rst iat= 12, 12, atnam(1)='H6  ', atnam(2)='H5''2', iresid=1, /
 &rst iat= 13, 13, atnam(1)='H8  ', atnam(2)='H5''1', 
     r1=   1.000,r2=   2.000,r3=   6.000,r4=   7.000, iresid=1, /   
 &rst iat= 13, 13, atnam(1)='H8  ', atnam(2)='H5''2', iresid=1, /
#
 &rst &end
# NMR dihedral constraints for domain II of the (+) CChMVd hammerhead ribozyme.
# beta
 &rst iat=  2, 2, 2, 2, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', 
     iresid=1, r1=  60.0, r2=   90.0, r3=  270.0, r4=  300.0, rk2= 90.0, rk3= 90.0, /                      
 &rst iat=  3, 3, 3, 3, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat=  4, 4, 4, 4, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', 
     iresid=1, r1= 110.0, r2=  140.0, r3=  220.0, r4=  250.0,  /                                           
 &rst iat=  5, 5, 5, 5, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat=  6, 6, 6, 6, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat=  7, 7, 7, 7, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat=  8, 8, 8, 8, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat=  9, 9, 9, 9, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat= 10,10,10,10, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /    
 &rst iat= 11,11,11,11, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''',   
     iresid=1, r1= -180.0, r2= -150.0, r3=  150.0, r4=  180.0,  /                                         
 &rst iat= 14,14,14,14, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', 
     iresid=1, r1=  60.0, r2=   90.0, r3=  270.0, r4=  300.0,  /                                          
 &rst iat= 16,16,16,16, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', 
     iresid=1, r1= 110.0, r2=  140.0, r3=  220.0, r4=  250.0,  /                                          
 &rst iat= 17,17,17,17, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /  
# gamma
 &rst iat=  4, 4, 4, 4, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
      iresid=1, r1=  -10.0, r2=  20.0, r3=  100.0, r4=  130.0,  rk2= 90.0, rk3= 90.0, /                      
 &rst iat=  5, 5, 5, 5, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat=  6, 6, 6, 6, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat=  7, 7, 7, 7, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat=  8, 8, 8, 8, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat=  9, 9, 9, 9, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 10,10,10,10, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat= 11,11,11,11, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat= 12,12,12,12, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat= 13,13,13,13, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
     iresid=1, r1= 110.0, r2=  140.0, r3=  220.0, r4=  250.0, /                                              
 &rst iat= 14,14,14,14, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /      
 &rst iat= 16,16,16,16, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
     iresid=1, r1=  -10.0, r2=  20.0, r3=  100.0, r4=  130.0, /                                             
 &rst iat= 17,17,17,17, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 18,18,18,18, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 19,19,19,19, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 20,20,20,20, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /    
# delta
 &rst iat=  1, 1, 1, 1, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  190.0, r4=  220.0, rk2= 90.0, rk3= 90.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''',               
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /                                            
 &rst iat=  9, 9, 9, 9, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /    
 &rst iat= 10,10,10,10, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1= 100.0, r2=  130.0, r3=  190.0, r4=  220.0,  /                                           
 &rst iat= 11,11,11,11, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /                                            
 &rst iat= 12,12,12,12, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  190.0, r4=  220.0, /                                            
 &rst iat= 13,13,13,13, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /                                            
 &rst iat= 14,14,14,14, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''',
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /                                            
 &rst iat= 15,15,15,15, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /  
 &rst iat= 16,16,16,16, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  190.0, r4=  220.0, /   
# epsilon
 &rst iat=  1, 1, 1, 2, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=   90.0, r2=  120.0, r3=  300.0, r4=  330.0, rk2= 90.0, rk3= 90.0, /                     
 &rst iat=  2, 2, 2, 3, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ',                
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, /                                           
 &rst iat=  3, 3, 3, 4, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=   90.0, r2=  120.0, r3=  300.0, r4=  330.0, /                                           
 &rst iat=  4, 4, 4, 5, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, /                                           
 &rst iat=  5, 5, 5, 6, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /    
 &rst iat=  6, 6, 6, 7, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /    
 &rst iat=  7, 7, 7, 8, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=   90.0, r2=  120.0, r3=  300.0, r4=  330.0, /                                           
 &rst iat=  8, 8, 8, 9, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, /                                           
 &rst iat=  9, 9, 9,10, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 10,10,10,11, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ',  
     iresid=1, r1=  -170.0, r2=  -140.0, r3=  -60.0, r4=  -30.0, /                                        
 &rst iat= 11,11,11,12, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0,   /                                        
 &rst iat= 12,12,12,13, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 13,13,13,14, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 14,14,14,15, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 15,15,15,16, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=   90.0, r2=  120.0, r3=  300.0, r4=  330.0, /                                          
 &rst iat= 16,16,16,17, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, /                                          
 &rst iat= 17,17,17,18, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=   90.0, r2=  120.0, r3=  300.0, r4=  330.0, /                                          
 &rst iat= 18,18,18,19, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, /                                          
 &rst iat= 19,19,19,20, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
#
# chirality constraints for simulated annealing
 &rst iat=  5, 5, 5, 5, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', 
     iresid=1, r1=  -90.0, r2=  -80.0, r3=  -60.0, r4=  -50.0, rk2= 150.0, rk3= 150.0, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  1, 1, 1, 1, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
#
 &rst iat=  1, 1, 1, 1, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', 
     iresid=1, r1=  -90.0, r2=  -80.0, r3=  -60.0, r4=  -50.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
#
 &rst iat=  1, 1, 1, 1, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', 
     iresid=1, r1=   50.0, r2=   60.0, r3=   80.0, r4=   90.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
#
 &rst iat=  1, 1, 1, 1, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', 
     iresid=1, r1=  -90.0, r2=  -80.0, r3=  -60.0, r4=  -50.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
#
 &rst &end

  Entry H atom name         Submitted Coord H atom name
    1    H5'    G   1          H5''        G   1 -32.193  36.202  77.190
    2   H5''    G   1          H5'         G   1 -30.833  36.268  78.317
    3    H4'    G   1           H4'        G   1 -32.667  37.588  79.167
    4    H3'    G   1           H3'        G   1 -32.264  35.034  80.737
    5    H2'    G   1           H2'        G   1 -33.834  35.977  82.332
    6   HO2'    G   1          HO2'        G   1 -33.070  38.278  81.892
    7    H1'    G   1           H1'        G   1 -35.655  36.590  80.421
    8    H8     G   1           H8         G   1 -34.041  33.517  79.007
    9    H1     G   1           H1         G   1 -37.987  32.280  83.963
   10    H21    G   1           H21        G   1 -38.452  34.182  84.999
   11    H22    G   1           H22        G   1 -37.831  35.717  84.379
   12   HO5'    G   1          HO5'        G   1 -31.215  34.120  77.529
   13    H5'    G   2           H5'        G   2 -32.158  38.094  83.670
   14   H5''    G   2          H5''        G   2 -30.849  37.786  84.813
   15    H4'    G   2           H4'        G   2 -33.006  38.083  85.939
   16    H3'    G   2           H3'        G   2 -31.871  35.288  86.118
   17    H2'    G   2           H2'        G   2 -33.589  34.936  87.828
   18   HO2'    G   2          HO2'        G   2 -33.467  37.281  88.578
   19    H1'    G   2           H1'        G   2 -35.551  35.943  86.240
   20    H8     G   2           H8         G   2 -33.170  34.271  83.836
   21    H1     G   2           H1         G   2 -36.773  30.141  87.251
   22    H21    G   2           H21        G   2 -37.667  31.230  88.971
   23    H22    G   2           H22        G   2 -37.440  32.975  89.129
   24    H5'    G   3          H5''        G   3 -32.534  36.576  90.165
   25   H5''    G   3          H5'         G   3 -31.177  36.077  91.176
   26    H4'    G   3           H4'        G   3 -33.335  35.381  92.106
   27    H3'    G   3           H3'        G   3 -31.565  33.103  91.196
   28    H2'    G   3           H2'        G   3 -33.131  31.682  92.412
   29   HO2'    G   3          HO2'        G   3 -33.554  33.446  94.095
   30    H1'    G   3           H1'        G   3 -35.299  32.829  91.237
   31    H8     G   3           H8         G   3 -32.620  32.954  88.589
   32    H1     G   3           H1         G   3 -35.112  27.070  89.491
   33    H21    G   3           H21        G   3 -36.161  27.040  91.449
   34    H22    G   3           H22        G   3 -36.331  28.526  92.390
   35    H5'    A   4          H5''        A   4 -32.469  32.215  95.243
   36   H5''    A   4          H5'         A   4 -30.987  31.752  96.082
   37    H4'    A   4           H4'        A   4 -32.736  30.089  96.409
   38    H3'    A   4           H3'        A   4 -30.425  29.144  94.698
   39    H2'    A   4           H2'        A   4 -31.380  26.929  94.960
   40   HO2'    A   4          HO2'        A   4 -32.147  27.398  97.238
   41    H1'    A   4           H1'        A   4 -33.906  27.767  94.354
   42    H8     A   4           H8         A   4 -31.607  29.892  92.227
   43    H61    A   4           H61        A   4 -31.761  24.957  88.338
   44    H62    A   4           H62        A   4 -31.310  26.656  88.435
   45    H2     A   4           H2         A   4 -33.377  23.693  92.148
   46    H5'    U   5           H5'        U   5 -30.568  26.312  97.928
   47   H5''    U   5          H5''        U   5 -28.915  25.995  98.467
   48    H4'    U   5           H4'        U   5 -30.043  23.918  97.906
   49    H3'    U   5           H3'        U   5 -27.884  24.670  95.916
   50    H2'    U   5           H2'        U   5 -28.155  22.411  95.078
   51   HO2'    U   5          HO2'        U   5 -28.628  21.529  97.327
   52    H1'    U   5           H1'        U   5 -30.894  22.596  95.055
   53    H3     U   5           H3         U   5 -29.451  22.707  90.723
   54    H5     U   5           H5         U   5 -28.809  26.608  92.095
   55    H6     U   5           H6         U   5 -29.404  25.878  94.344
   56    H5'    C   6          H5''        C   6 -26.737  20.797  97.212
   57   H5''    C   6          H5'         C   6 -24.992  20.766  97.479
   58    H4'    C   6           H4'        C   6 -25.694  18.997  95.959
   59    H3'    C   6           H3'        C   6 -24.051  21.156  94.600
   60    H2'    C   6           H2'        C   6 -23.917  19.601  92.759
   61   HO2'    C   6          HO2'        C   6 -23.881  17.659  94.289
   62    H1'    C   6           H1'        C   6 -26.604  19.015  92.853
   63    H41    C   6           H41        C   6 -25.877  23.509  88.579
   64    H42    C   6           H42        C   6 -26.140  24.792  89.765
   65    H5     C   6           H5         C   6 -26.168  24.319  92.168
   66    H6     C   6           H6         C   6 -26.212  22.516  93.812
   67    H5'    C   7           H5'        C   7 -21.948  17.531  93.833
   68   H5''    C   7          H5''        C   7 -20.215  17.804  94.030
   69    H4'    C   7           H4'        C   7 -20.714  16.861  91.832
   70    H3'    C   7           H3'        C   7 -19.737  19.707  91.726
   71    H2'    C   7           H2'        C   7 -19.536  19.303  89.338
   72   HO2'    C   7          HO2'        C   7 -18.876  16.968  89.692
   73    H1'    C   7           H1'        C   7 -21.998  18.085  89.162
   74    H41    C   7           H41        C   7 -22.969  24.049  87.588
   75    H42    C   7           H42        C   7 -23.131  24.568  89.269
   76    H5     C   7           H5         C   7 -22.660  23.054  91.129
   77    H6     C   7           H6         C   7 -22.089  20.757  91.697
   78    H5'    A   8          H5''        A   8 -16.963  17.426  89.262
   79   H5''    A   8          H5'         A   8 -15.336  17.983  89.674
   80    H4'    A   8           H4'        A   8 -15.655  18.177  87.291
   81    H3'    A   8           H3'        A   8 -15.635  20.836  88.743
   82    H2'    A   8           H2'        A   8 -15.587  21.879  86.575
   83   HO2'    A   8          HO2'        A   8 -14.194  20.015  85.681
   84    H1'    A   8           H1'        A   8 -17.535  20.333  85.526
   85    H8     A   8           H8         A   8 -18.148  21.099  89.282
   86    H61    A   8           H61        A   8 -20.743  26.302  86.875
   87    H62    A   8           H62        A   8 -20.395  25.515  88.416
   88    H2     A   8           H2         A   8 -19.286  23.940  83.603
   89    H5'    U   9          H5''        U   9 -12.877  21.622  85.790
   90   H5''    U   9          H5'         U   9 -11.437  22.335  86.525
   91    H4'    U   9           H4'        U   9 -12.321  23.812  84.798
   92    H3'    U   9           H3'        U   9 -12.882  24.897  87.579
   93    H2'    U   9           H2'        U   9 -13.276  26.955  86.417
   94   HO2'    U   9          HO2'        U   9 -12.519  27.387  84.464
   95    H1'    U   9           H1'        U   9 -14.765  25.645  84.465
   96    H3     U   9           H3         U   9 -17.350  28.393  87.177
   97    H5     U   9           H5         U   9 -16.868  24.879  89.395
   98    H6     U   9           H6         U   9 -15.308  24.061  87.710
   99    H5'    G  10          H5''        G  10 -10.664  27.778  90.013
  100   H5''    G  10          H5'         G  10 -12.303  27.865  89.369
  101    H4'    G  10           H4'        G  10 -11.531  30.057  90.031
  102    H3'    G  10           H3'        G  10 -12.566  29.581  87.534
  103    H2'    G  10           H2'        G  10 -10.759  30.056  86.231
  104   HO2'    G  10          HO2'        G  10 -11.949  32.249  86.282
  105    H1'    G  10           H1'        G  10  -9.332  31.835  88.137
  106    H8     G  10           H8         G  10  -8.500  28.194  87.296
  107    H1     G  10           H1         G  10  -5.645  32.496  83.436
  108    H21    G  10           H21        G  10  -6.664  34.486  83.745
  109    H22    G  10           H22        G  10  -7.883  34.651  85.001
  110    H5'    A  11          H5''        A  11 -13.160  34.034  86.942
  111   H5''    A  11          H5'         A  11 -14.896  34.128  86.623
  112    H4'    A  11           H4'        A  11 -13.663  34.992  84.730
  113    H3'    A  11           H3'        A  11 -14.900  32.301  84.156
  114    H2'    A  11           H2'        A  11 -14.262  32.800  81.802
  115   HO2'    A  11          HO2'        A  11 -14.505  35.180  82.041
  116    H1'    A  11           H1'        A  11 -11.710  33.188  82.488
  117    H8     A  11           H8         A  11 -12.914  30.788  85.176
  118    H61    A  11           H62        A  11 -10.955  26.504  81.061
  119    H62    A  11           H61        A  11 -11.522  26.693  82.727
  120    H2     A  11           H2         A  11 -11.028  30.301  79.030
  121    H5'    C  12           H5'        C  12 -16.170  34.507  80.759
  122   H5''    C  12          H5''        C  12 -17.854  34.146  80.427
  123    H4'    C  12           H4'        C  12 -16.305  33.771  78.501
  124    H3'    C  12           H3'        C  12 -17.886  31.416  79.543
  125    H2'    C  12           H2'        C  12 -17.102  30.214  77.682
  126   HO2'    C  12          HO2'        C  12 -17.532  31.858  76.074
  127    H1'    C  12           H1'        C  12 -14.598  31.521  77.541
  128    H41    C  12           H41        C  12 -13.495  25.562  79.151
  129    H42    C  12           H42        C  12 -13.908  25.854  80.841
  130    H5     C  12           H5         C  12 -14.802  27.970  81.588
  131    H6     C  12           H6         C  12 -15.464  30.221  80.865
  132    H5'    A  13           H5'        A  13 -21.243  30.056  75.769
  133   H5''    A  13          H5''        A  13 -21.079  29.601  77.455
  134    H4'    A  13           H4'        A  13 -19.585  28.506  75.062
  135    H3'    A  13           H3'        A  13 -21.291  27.523  77.350
  136    H2'    A  13           H2'        A  13 -20.183  25.438  77.425
  137   HO2'    A  13          HO2'        A  13 -20.015  25.223  75.037
  138    H1'    A  13           H1'        A  13 -17.688  26.366  77.198
  139    H8     A  13           H8         A  13 -19.985  28.794  79.188
  140    H61    A  13           H61        A  13 -17.352  25.902  84.054
  141    H62    A  13           H62        A  13 -18.445  27.214  83.627
  142    H2     A  13           H2         A  13 -16.065  23.843  80.497
  143    H5'    G  14           H5'        G  14 -24.351  24.193  76.920
  144   H5''    G  14          H5''        G  14 -23.925  25.031  78.432
  145    H4'    G  14           H4'        G  14 -22.420  22.686  77.151
  146    H3'    G  14           H3'        G  14 -24.338  22.888  79.477
  147    H2'    G  14           H2'        G  14 -23.162  21.047  80.507
  148   HO2'    G  14          HO2'        G  14 -22.664  19.998  78.347
  149    H1'    G  14           H1'        G  14 -20.718  22.174  80.153
  150    H8     G  14           H8         G  14 -22.565  25.331  80.545
  151    H1     G  14           H1         G  14 -22.307  21.969  86.053
  152    H21    G  14           H21        G  14 -21.587  19.916  85.599
  153    H22    G  14           H22        G  14 -21.170  19.463  83.943
  154    H5'    G  15          H5''        G  15 -24.299  18.757  78.862
  155   H5''    G  15          H5'         G  15 -25.963  18.182  78.700
  156    H4'    G  15           H4'        G  15 -24.815  16.908  80.404
  157    H3'    G  15           H3'        G  15 -26.874  18.816  81.544
  158    H2'    G  15           H2'        G  15 -26.561  17.612  83.626
  159   HO2'    G  15          HO2'        G  15 -26.161  15.479  82.479
  160    H1'    G  15           H1'        G  15 -23.848  17.787  83.479
  161    H8     G  15           H8         G  15 -25.123  20.972  81.880
  162    H1     G  15           H1         G  15 -25.549  20.880  88.322
  163    H21    G  15           H21        G  15 -25.317  18.775  89.009
  164    H22    G  15           H22        G  15 -24.932  17.497  87.851
  165    H5'    A  16           H5'        A  16 -28.093  15.131  83.173
  166   H5''    A  16          H5''        A  16 -29.835  14.962  82.931
  167    H4'    A  16           H4'        A  16 -29.277  14.620  85.260
  168    H3'    A  16           H3'        A  16 -30.728  17.236  84.775
  169    H2'    A  16           H2'        A  16 -30.982  17.304  87.186
  170   HO2'    A  16          HO2'        A  16 -31.207  14.863  87.345
  171    H1'    A  16           H1'        A  16 -28.353  16.681  87.631
  172    H8     A  16           H8         A  16 -28.529  18.843  84.501
  173    H61    A  16           H61        A  16 -28.781  23.593  88.613
  174    H62    A  16           H62        A  16 -28.566  23.225  86.904
  175    H2     A  16           H2         A  16 -29.315  19.910  90.813
  176    H5'    U  17          H5''        U  17 -33.186  15.173  87.609
  177   H5''    U  17          H5'         U  17 -34.883  15.413  87.183
  178    H4'    U  17           H4'        U  17 -34.440  16.078  89.489
  179    H3'    U  17           H3'        U  17 -35.071  18.410  87.661
  180    H2'    U  17           H2'        U  17 -35.290  19.684  89.716
  181   HO2'    U  17          HO2'        U  17 -36.184  17.720  90.928
  182    H1'    U  17           H1'        U  17 -32.952  18.681  90.752
  183    H3     U  17           H3         U  17 -32.391  23.071  89.567
  184    H5     U  17           H5         U  17 -32.010  20.984  85.956
  185    H6     U  17           H6         U  17 -32.641  18.935  87.112
  186    H5'    C  18          H5''        C  18 -37.941  18.606  90.835
  187   H5''    C  18          H5'         C  18 -39.521  19.055  90.194
  188    H4'    C  18           H4'        C  18 -38.794  20.518  92.027
  189    H3'    C  18           H3'        C  18 -38.992  21.889  89.336
  190    H2'    C  18           H2'        C  18 -38.801  23.947  90.627
  191   HO2'    C  18          HO2'        C  18 -40.010  22.947  92.541
  192    H1'    C  18           H1'        C  18 -36.680  23.006  92.079
  193    H41    C  18           H41        C  18 -34.252  26.106  87.209
  194    H42    C  18           H42        C  18 -34.183  24.643  86.222
  195    H5     C  18           H5         C  18 -35.271  22.573  86.924
  196    H6     C  18           H6         C  18 -36.441  21.497  88.766
  197    H5'    C  19          H5''        C  19 -41.502  24.090  92.012
  198   H5''    C  19          H5'         C  19 -42.986  24.585  91.198
  199    H4'    C  19           H4'        C  19 -41.801  26.472  92.235
  200    H3'    C  19           H3'        C  19 -41.915  26.556  89.212
  201    H2'    C  19           H2'        C  19 -41.143  28.848  89.457
  202   HO2'    C  19          HO2'        C  19 -42.393  29.144  91.556
  203    H1'    C  19           H1'        C  19 -39.193  28.163  91.257
  204    H41    C  19           H41        C  19 -36.282  28.092  85.730
  205    H42    C  19           H42        C  19 -36.713  26.405  85.437
  206    H5     C  19           H5         C  19 -38.288  25.217  86.865
  207    H6     C  19           H6         C  19 -39.617  25.389  88.901
  208    H5'    C  20           H5'        C  20 -43.699  30.244  90.558
  209   H5''    C  20          H5''        C  20 -45.113  30.601  89.563
  210    H4'    C  20           H4'        C  20 -43.554  32.479  89.578
  211    H3'    C  20           H3'        C  20 -43.773  31.053  86.910
  212   HO3'    C  20          HO3'        C  20 -45.232  32.784  86.497
  213    H2'    C  20           H2'        C  20 -42.471  32.836  85.997
  214   HO2'    C  20          HO2'        C  20 -43.561  34.540  87.315
  215    H1'    C  20           H1'        C  20 -40.703  32.941  88.126
  216    H41    C  20           H41        C  20 -38.062  29.637  83.488
  217    H42    C  20           H42        C  20 -38.937  28.158  83.905
  218    H5     C  20           H5         C  20 -40.624  28.124  85.667
  219    H6     C  20           H6         C  20 -41.773  29.502  87.321