NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
27594 | 2ro2 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# DISTANCE 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)='H8 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 6, 6, atnam(1)='H8 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 7, 7, atnam(1)='H6 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 8, 8, atnam(1)='H6 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 16, 16, atnam(1)='H8 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 17, 17, atnam(1)='H8 ', 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= 21, 21, atnam(1)='H6 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 22, 22, atnam(1)='H6 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 23, 23, 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)='H8 ', atnam(2)= 'H2''1', iresid=1, / &rst iat= 6, 6, atnam(1)='H8 ', atnam(2)= 'H2''1', iresid=1, / &rst iat= 7, 7, atnam(1)='H6 ', atnam(2)= 'H2''1', iresid=1, / &rst iat= 8, 8, atnam(1)='H6 ', 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)='H8 ', 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= 21, 21, atnam(1)='H6 ', atnam(2)= 'H2''1', iresid=1, / &rst iat= 22, 22, atnam(1)='H6 ', atnam(2)= 'H2''1', iresid=1, / &rst iat= 23, 23, 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)='H8 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 6, 6, atnam(1)='H8 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 7, 7, atnam(1)='H6 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 8, 8, atnam(1)='H6 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 16, 16, atnam(1)='H8 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 17, 17, atnam(1)='H8 ', 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= 21, 21, atnam(1)='H6 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 22, 22, atnam(1)='H6 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 23, 23, atnam(1)='H6 ', atnam(2)= 'H3''', iresid=1, / &rst iat= 1, 1, atnam(1)='H8 ', atnam(2)= 'H4''', r1= 2.500,r2= 3.500,r3= 5.500,r4= 6.500, 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)='H8 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 6, 6, atnam(1)='H8 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 7, 7, atnam(1)='H6 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 8, 8, atnam(1)='H6 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 16, 16, atnam(1)='H8 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 17, 17, atnam(1)='H8 ', 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= 21, 21, atnam(1)='H6 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 22, 22, atnam(1)='H6 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 23, 23, 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)='H8 ', atnam(2)='H5''1', r1= 2.500,r2= 3.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 6, 6, atnam(1)='H8 ', atnam(2)='H5''1', r1= 2.500,r2= 3.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 7, 7, atnam(1)='H6 ', atnam(2)='H5''1', iresid=1, / &rst iat= 8, 8, atnam(1)='H6 ', atnam(2)='H5''1', iresid=1, / &rst iat= 16, 16, atnam(1)='H8 ', atnam(2)='H5''1', iresid=1, / &rst iat= 17, 17, atnam(1)='H8 ', 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= 21, 21, atnam(1)='H6 ', atnam(2)='H5''1', iresid=1, / &rst iat= 22, 22, atnam(1)='H6 ', atnam(2)='H5''1', iresid=1, / &rst iat= 23, 23, 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)='H8 ', atnam(2)='H5''2', r1= 1.000,r2= 2.000,r3= 3.500,r4= 4.500, iresid=1, / &rst iat= 6, 6, atnam(1)='H8 ', atnam(2)='H5''2', r1= 2.500,r2= 3.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 7, 7, atnam(1)='H6 ', atnam(2)='H5''2', iresid=1, / &rst iat= 8, 8, atnam(1)='H6 ', atnam(2)='H5''2', iresid=1, / &rst iat= 16, 16, atnam(1)='H8 ', atnam(2)='H5''2', iresid=1, / &rst iat= 17, 17, atnam(1)='H8 ', 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, / &rst iat= 21, 21, atnam(1)='H6 ', atnam(2)='H5''2', iresid=1, / &rst iat= 22, 22, atnam(1)='H6 ', atnam(2)='H5''2', iresid=1, / &rst iat= 23, 23, atnam(1)='H6 ', atnam(2)='H5''2', iresid=1, / &rst iat= 4, 4, atnam(1)='H2 ', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 6, 6, atnam(1)='H2 ', atnam(2)='H1''', iresid=1, / # DISTANCE 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)= 'H8 ', iresid=1, / &rst iat= 5, 6, atnam(1)='H1''', atnam(2)= 'H8 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 7, 8, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 16, 17, atnam(1)='H1''', atnam(2)= 'H8 ', iresid=1, / &rst iat= 17, 18, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 18, 19, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 19, 20, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 20, 21, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 21, 22, atnam(1)='H1''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 22, 23, 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)= 'H8 ', iresid=1, / &rst iat= 5, 6, atnam(1)='H2''1', atnam(2)= 'H8 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H2''1', atnam(2)= 'H6 ', iresid=1, / &rst iat= 7, 8, atnam(1)='H2''1', atnam(2)= 'H6 ', iresid=1, / &rst iat= 16, 17, atnam(1)='H2''1', atnam(2)= 'H8 ', 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= 20, 21, atnam(1)='H2''1', atnam(2)= 'H6 ', iresid=1, / &rst iat= 21, 22, atnam(1)='H2''1', atnam(2)= 'H6 ', iresid=1, / &rst iat= 22, 23, 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 ', iresid=1, / &rst iat= 3, 4, atnam(1)='H3''', atnam(2)= 'H8 ', iresid=1, / &rst iat= 4, 5, atnam(1)='H3''', atnam(2)= 'H8 ', iresid=1, / &rst iat= 5, 6, atnam(1)='H3''', atnam(2)= 'H8 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 7, 8, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 16, 17, atnam(1)='H3''', atnam(2)= 'H8 ', iresid=1, / &rst iat= 17, 18, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 18, 19, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 19, 20, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 20, 21, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 21, 22, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 22, 23, atnam(1)='H3''', atnam(2)= 'H6 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H1''', atnam(2)= 'H5 ', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 17, 18, atnam(1)='H1''', atnam(2)= 'H5 ', iresid=1, / &rst iat= 19, 20, atnam(1)='H1''', atnam(2)= 'H5 ', iresid=1, / &rst iat= 20, 21, atnam(1)='H1''', atnam(2)= 'H5 ', iresid=1, / &rst iat= 21, 22, atnam(1)='H1''', atnam(2)= 'H5 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H2''1', atnam(2)= 'H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 7, 8, 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 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 19, 20, atnam(1)='H2''1', atnam(2)= 'H5 ', r1= 1.500,r2= 2.500,r3= 3.500,r4= 4.500, iresid=1, / &rst iat= 20, 21, atnam(1)='H2''1', atnam(2)= 'H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 21, 22, atnam(1)='H2''1', atnam(2)= 'H5 ', iresid=1, / &rst iat= 22, 23, atnam(1)='H2''1', atnam(2)= 'H5 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 7, 8, atnam(1)='H3''', atnam(2)= 'H5 ', iresid=1, / &rst iat= 17, 18, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 18, 19, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 19, 20, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 1.500,r2= 2.500,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 20, 21, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 21, 22, atnam(1)='H3''', atnam(2)= 'H5 ', iresid=1, / &rst iat= 22, 23, 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)='H8 ', iresid=1, / &rst iat= 5, 6, atnam(1)='H8 ', atnam(2)='H8 ', iresid=1, / &rst iat= 6, 7, atnam(1)='H8 ', atnam(2)='H6 ', iresid=1, / &rst iat= 7, 8, atnam(1)='H6 ', atnam(2)='H6 ', iresid=1, / &rst iat= 16, 17, atnam(1)='H8 ', atnam(2)='H8 ', iresid=1, / &rst iat= 17, 18, atnam(1)='H8 ', atnam(2)='H6 ', iresid=1, / &rst iat= 18, 19, atnam(1)='H6 ', atnam(2)='H6 ', iresid=1, / &rst iat= 19, 20, atnam(1)='H6 ', atnam(2)='H6 ', iresid=1, / &rst iat= 20, 21, atnam(1)='H6 ', atnam(2)='H6 ', iresid=1, / &rst iat= 21, 22, atnam(1)='H6 ', atnam(2)='H6 ', iresid=1, / &rst iat= 22, 23, atnam(1)='H6 ', atnam(2)='H6 ', iresid=1, / &rst iat= 6, 7, 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)='H8 ', atnam(2)= 'H5 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 19, 20, atnam(1)='H6 ', atnam(2)= 'H5 ', r1= 3.500,r2= 4.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 21, 22, atnam(1)='H6 ', atnam(2)= 'H5 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 4, 5, atnam(1)='H2 ', atnam(2)='H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 6, 7, atnam(1)='H2 ', atnam(2)='H1''', iresid=1, / &rst iat= 4, 5, atnam(1)='H2 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 6, 7, atnam(1)='H2 ', atnam(2)='H6 ', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 4, 21, atnam(1)='H2 ', atnam(2)='H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 6, 19, atnam(1)='H2 ', atnam(2)='H1''', r1= 1.500,r2= 2.500,r3= 3.500,r4= 4.500, iresid=1, / &rst iat= 4, 21, atnam(1)='H2 ', atnam(2)='H6 ', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 4, 20, atnam(1)='H2 ', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 6, 18, atnam(1)='H2 ', atnam(2)='H1''', iresid=1, / &rst iat= 1, 2, atnam(1)='H1''', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 2, 3, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 3, 4, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 4, 5, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 5, 6, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 6, 7, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 17, 18, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 21, 22, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 22, 23, atnam(1)='H1''', atnam(2)='H1''', iresid=1, / &rst iat= 1, 2, atnam(1)='H2''1', atnam(2)='H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 2, 3, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 3, 4, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 4, 5, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 5, 6, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 6, 7, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 7, 8, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 16, 17, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 17, 18, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 19, 20, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 21, 22, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 22, 23, atnam(1)='H2''1', atnam(2)='H1''', iresid=1, / &rst iat= 1, 2, atnam(1)='H1''', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, 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', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 5, 6, atnam(1)='H1''', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 6, 7, 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''1', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 16, 17, atnam(1)='H1''', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 17, 18, atnam(1)='H1''', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, 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= 20, 21, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, / &rst iat= 21, 22, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, / &rst iat= 22, 23, atnam(1)='H1''', atnam(2)='H5''1', iresid=1, / &rst iat= 1, 2, atnam(1)='H1''', atnam(2)='H5''2', 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', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 5, 6, atnam(1)='H1''', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 6, 7, 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)='H1''', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 16, 17, atnam(1)='H1''', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 17, 18, atnam(1)='H1''', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, 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, / &rst iat= 20, 21, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, / &rst iat= 21, 22, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, / &rst iat= 22, 23, atnam(1)='H1''', atnam(2)='H5''2', iresid=1, / # DISTANCE LOOP INTRA &rst iat= 9, 9, atnam(1)='H6 ', atnam(2)= 'H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 10, 10, atnam(1)='H8 ', atnam(2)= 'H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 11, 11, atnam(1)='H8 ', atnam(2)= 'H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 12, 12, atnam(1)='H8 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 13, 13, atnam(1)='H8 ', atnam(2)= 'H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 14, 14, atnam(1)='H6 ', atnam(2)= 'H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 15, 15, atnam(1)='H8 ', atnam(2)= 'H1''', iresid=1, / &rst iat= 11, 11, atnam(1)='H2 ', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 12, atnam(1)='H2 ', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 9, 9, atnam(1)='H6 ', atnam(2)= 'H2''1', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 10, 10, atnam(1)='H8 ', atnam(2)= 'H2''1', r1= 1.000,r2= 2.000,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)='H8 ', atnam(2)= 'H2''1', r1= 1.000,r2= 2.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 13, 13, atnam(1)='H8 ', atnam(2)= 'H2''1', r1= 1.000,r2= 2.000,r3= 3.000,r4= 4.000, iresid=1, / &rst iat= 14, 14, atnam(1)='H6 ', atnam(2)= 'H2''1', r1= 1.000,r2= 2.000,r3= 3.000,r4= 4.000, iresid=1, / &rst iat= 15, 15, 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)= '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= 1.500,r2= 2.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 11, 11, atnam(1)='H8 ', atnam(2)= 'H3''', r1= 1.500,r2= 2.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 12, 12, atnam(1)='H8 ', atnam(2)= 'H3''', r1= 1.500,r2= 2.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 13, 13, atnam(1)='H8 ', atnam(2)= 'H3''', r1= 1.000,r2= 2.000,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 14, 14, atnam(1)='H6 ', atnam(2)= 'H3''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 15, 15, atnam(1)='H8 ', atnam(2)= 'H3''', r1= 1.500,r2= 2.500,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 9, 9, atnam(1)='H6 ', atnam(2)= 'H4''', r1= 2.500,r2= 3.500,r3= 5.500,r4= 6.500, 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)='H8 ', atnam(2)= 'H4''', r1= 2.500,r2= 3.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 13, 13, atnam(1)='H8 ', atnam(2)= 'H4''', r1= 2.500,r2= 3.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 14, 14, atnam(1)='H6 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 15, 15, atnam(1)='H8 ', atnam(2)= 'H4''', iresid=1, / &rst iat= 9, 9, atnam(1)='H6 ', atnam(2)='H5''1', r1= 2.500,r2= 3.500,r3= 6.500,r4= 7.500, 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)='H8 ', atnam(2)='H5''1', iresid=1, / &rst iat= 12, 12, atnam(1)='H8 ', atnam(2)='H5''2', iresid=1, / &rst iat= 13, 13, atnam(1)='H8 ', atnam(2)='H5''1', iresid=1, / &rst iat= 13, 13, atnam(1)='H8 ', atnam(2)='H5''2', iresid=1, / &rst iat= 14, 14, atnam(1)='H6 ', atnam(2)='H5''1', iresid=1, / &rst iat= 14, 14, atnam(1)='H6 ', atnam(2)='H5''2', iresid=1, / &rst iat= 15, 15, atnam(1)='H8 ', atnam(2)='H5''1', r1= 2.500,r2= 3.500,r3= 6.500,r4= 7.500, iresid=1, / &rst iat= 15, 15, atnam(1)='H8 ', atnam(2)='H5''2', r1= 1.000,r2= 2.000,r3= 3.500,r4= 4.500, iresid=1, / # DISTANCE LOOP INTER &rst iat= 8, 9, atnam(1)='H1''', atnam(2)= 'H6 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, 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)='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= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 8, 9, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 8, 9, atnam(1)='H2''1', atnam(2)='H1''', r1= 2.500,r2= 3.500,r3= 4.500,r4= 5.500, 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)='H5 ', atnam(2)='H5 ', r1= 2.000,r2= 3.000,r3= 4.000,r4= 5.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 1.500,r2= 2.500,r3= 3.500,r4= 4.500, iresid=1, / &rst iat= 9, 10, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 2.000,r2= 3.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H6 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 9, 10, atnam(1)='H2''1', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H1''', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H1''', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 10, 11, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 1.500,r2= 2.500,r3= 3.500,r4= 4.500, iresid=1, / &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 2.500,r2= 3.500,r3= 4.500,r4= 6.000, iresid=1, / &rst iat= 10, 11, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 10, 11, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 10, 11, atnam(1)='H8 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 10, 11, atnam(1)='H1''', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 10, 11, atnam(1)='H2''1', atnam(2)='H1''', r1= 3.500,r2= 4.500,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)='H1''', atnam(2)='H2''1', r1= 2.500,r2= 3.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 11, 10, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 10, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 10, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 10, atnam(1)='H4''', atnam(2)= 'H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 10, 12, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 10, 13, atnam(1)='H8 ', atnam(2)='H8 ', r1= 2.000,r2= 3.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 10, 13, atnam(1)='H1''', atnam(2)='H4''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 10, 13, atnam(1)='H1''', atnam(2)='H5''1', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 10, 13, atnam(1)='H1''', atnam(2)='H5''2', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 10, 15, atnam(1)='H8 ', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H8 ', atnam(2)='H8 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= -1, 12, igr1=11,11, grnam1(1)='H5''1', grnam1(2)= 'H5''2', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 12, 11, atnam(1)='H5''1', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 11, atnam(1)='H5''2', atnam(2)='H1''', iresid=1, / &rst iat= 12, 11, atnam(1)='H2''1', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 12, 11, atnam(1)='H3''', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H4''', atnam(2)='H4''', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H4''', atnam(2)='H3''', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H8 ', atnam(2)='H2''1', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H8 ', atnam(2)='H3''', iresid=1, / &rst iat= 11, 12, atnam(1)='H4''', atnam(2)= 'H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 13, atnam(1)='H8 ', atnam(2)='H8 ', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 11, atnam(1)='H1''', atnam(2)='H8 ', iresid=1, / &rst iat= 11, 13, atnam(1)='H1''', atnam(2)='H8 ', iresid=1, / &rst iat= 11, 15, atnam(1)='H1''', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 16, atnam(1)='H5''1', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 16, atnam(1)='H5''2', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 13, 12, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 4.500,r2= 5.500,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H8 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 6.500,r4= 7.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H2''1', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H1''', atnam(2)='H5''1', r1= 2.500,r2= 3.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H1''', atnam(2)='H5''2', r1= 2.500,r2= 3.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H1''', atnam(2)= 'H4''', r1= 3.500,r2= 4.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 13, 12, atnam(1)='H1''', atnam(2)= 'H4''', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H1''', atnam(2)= 'H2''1', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H3''', atnam(2)= 'H2''1', r1= 3.000,r2= 4.000,r3= 6.500,r4= 7.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H4''', atnam(2)= 'H3''', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H4''', atnam(2)= 'H2''1', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H4''', atnam(2)= 'H4''', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 12, 13, atnam(1)='H4''', atnam(2)= 'H5''1', r1= 2.000,r2= 3.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 12, 13, atnam(1)='H4''', atnam(2)= 'H5''2', r1= 2.000,r2= 3.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 12, 15, atnam(1)='H8 ', atnam(2)= 'H1''', r1= 4.000,r2= 5.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 12, 15, atnam(1)='H1''', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H1''', atnam(2)= 'H6 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H2''1', atnam(2)= 'H6 ', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 13, 14, atnam(1)='H3''', atnam(2)= 'H6 ', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 13, 14, atnam(1)='H5''1', atnam(2)= 'H6 ', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H5''2', atnam(2)= 'H6 ', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H4''', atnam(2)= 'H6 ', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H1''', atnam(2)= 'H5 ', r1= 4.500,r2= 5.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H3''', atnam(2)= 'H5 ', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 13, 14, atnam(1)='H5''1', atnam(2)= 'H5 ', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H5''2', atnam(2)= 'H5 ', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H4''', atnam(2)='H3''', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H5''1', atnam(2)= 'H4''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H5''2', atnam(2)= 'H4''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)= 'H5 ', r1= 4.500,r2= 5.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H1''', atnam(2)='H1''', r1= 4.500,r2= 5.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 13, atnam(1)='H2''1', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H1''', atnam(2)='H3''', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 14, 13, atnam(1)='H5''1', atnam(2)= 'H1''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 13, atnam(1)='H5''2', atnam(2)= 'H1''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 13, atnam(1)='H4''', atnam(2)='H3''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 13, atnam(1)='H4''', atnam(2)='H2''1', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 13, atnam(1)='H4''', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)='H4''', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)='H3''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 14, atnam(1)='H8 ', atnam(2)='H2''1', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 15, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 15, 13, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 13, 15, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 13, 15, atnam(1)='H1''', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 13, 15, atnam(1)='H2''1', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 13, 15, atnam(1)='H8 ', atnam(2)='H2''1', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 15, atnam(1)='H5''1', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 13, 15, atnam(1)='H5''2', atnam(2)='H1''', iresid=1, / &rst iat= 13, 15, atnam(1)='H4''', atnam(2)='H1''', iresid=1, / &rst iat= 14, 15, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 2.000,r2= 3.000,r3= 4.500,r4= 5.500, iresid=1, / &rst iat= 14, 15, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 2.500,r2= 3.500,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H3''', atnam(2)='H5''1', r1= 2.500,r2= 3.500,r3= 5.000,r4= 5.500, iresid=1, / &rst iat= 14, 15, atnam(1)='H5''1', atnam(2)= 'H8 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H5''2', atnam(2)= 'H8 ', iresid=1, / &rst iat= 14, 15, atnam(1)='H1''', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H2''1', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H1''', atnam(2)='H5''1', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 14, 15, atnam(1)='H1''', atnam(2)='H5''2', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 15, 16, atnam(1)='H1''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 5.000,r4= 6.000, iresid=1, / &rst iat= 15, 16, atnam(1)='H2''1', atnam(2)= 'H8 ', r1= 0.000,r2= 0.000,r3= 2.500,r4= 3.500, iresid=1, / &rst iat= 15, 16, atnam(1)='H3''', atnam(2)= 'H8 ', r1= 1.500,r2= 2.500,r3= 3.500,r4= 4.500, iresid=1, / &rst iat= 15, 16, atnam(1)='H4''', atnam(2)= 'H8 ', r1= 3.000,r2= 4.000,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 15, 16, atnam(1)='H8 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 5.500,r4= 6.500, iresid=1, / &rst iat= 15, 16, atnam(1)='H1''', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 6.500,r4= 7.500, iresid=1, / &rst iat= 15, 16, 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)='H1''', atnam(2)='H5''1', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 15, 16, atnam(1)='H1''', atnam(2)='H5''2', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 12, 11, atnam(1)='H2 ', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 12, 15, atnam(1)='H2 ', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 12, 10, atnam(1)='H2 ', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 12, 11, atnam(1)='H2 ', atnam(2)='H4''', r1= 3.500,r2= 4.500,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 11, 12, atnam(1)='H2 ', atnam(2)='H1''', r1= 3.500,r2= 4.500,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 11, 13, atnam(1)='H2 ', atnam(2)='H2''1', r1= 3.500,r2= 4.500,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H2 ', atnam(2)='H2''1', r1= 3.000,r2= 4.000,r3= 7.500,r4= 8.500, iresid=1, / &rst iat= 11, 12, atnam(1)='H2 ', atnam(2)='H3''', r1= 3.000,r2= 4.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 15, atnam(1)='H2 ', atnam(2)='H1''', r1= 4.000,r2= 5.000,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 15, atnam(1)='H2 ', atnam(2)='H4''', iresid=1, / &rst iat= 11, 12, atnam(1)='H2 ', atnam(2)='H2 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 11, 12, atnam(1)='H2 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 6.500,r4= 7.500, iresid=1, / &rst iat= 11, 13, atnam(1)='H2 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 6.500,r4= 7.500, iresid=1, / &rst iat= 12, 10, atnam(1)='H2 ', atnam(2)='H8 ', r1= 3.500,r2= 4.500,r3= 98.000,r4= 99.000, iresid=1, / &rst iat= 15, 10, atnam(1)='H1 ', atnam(2)='H8 ', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 15, 10, atnam(1)='H1 ', atnam(2)='H1''', r1= 2.500,r2= 3.500,r3= 6.000,r4= 7.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H3 ', atnam(2)='H1''', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= 9, 10, atnam(1)='H3 ', atnam(2)='H8 ', r1= 3.000,r2= 4.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= -1, 10, igr1= 15, 15, grnam1(1)='H21',grnam1(2)= 'H22', atnam(2)='H1''', r1= 1.000,r2= 2.000,r3= 7.000,r4= 8.000, iresid=1, / &rst iat= -1, 10, igr1= 15, 15, grnam1(1)='H21',grnam1(2)= 'H22', atnam(2)='H8 ', iresid=1, /
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