NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
27791 |
2rpk   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 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
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