NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
535290 2led 17708 cing 1-original 1 AMBER distance NOE simple


#chain a: residues  1-19
#chain b: residues 20-38
#
#  1 DT5  H1'     1 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2''    1 DT5  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  10, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H2''    1 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  26, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H2''    1 DT5  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   7, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2''    1 DT5  H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   4, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2''    1 DT5  H5''  2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   5, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2''    1 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H2''    2 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2''   26 DG   H1'   3.5     6.5    (#weak )
 &rst
  ixpk= 0, nxpk= 0, iat=  29, 820, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H2'     1 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2'     1 DT5  H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  29, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H2'     1 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  26, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H2'     1 DT5  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,   7, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2'     1 DT5  H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,   4, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2'     1 DT5  H5''  2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,   5, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H2'     1 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H2'     2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H2'    26 DG   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  28, 820, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H3'     1 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H3'     1 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H4'     1 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H4'     1 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  26, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H4'     1 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H4'     2 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H5'     1 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H5'     1 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  26, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H5'     1 DT5  H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,   7, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H5'     1 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H5'     2 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   4,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H5'    26 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   4, 823, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H5''    1 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  H5''    1 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  26, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H5''    1 DT5  H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   5,   7, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H5''    1 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  H5''    2 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   5,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H5''   26 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=   5, 823, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H6      2 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  H6     26 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 823, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  C7      1 DT5  H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  15,   4, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  C7      1 DT5  H5''  3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  15,   5, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  C7      1 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  1 DT5  C7      2 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  54, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  C7      2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  1 DT5  C7     26 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 820, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  1 DT5  C7     26 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  15, 823, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H1'     2 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H1'     3 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H2      3 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  83, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H2''    2 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  42, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H2''    2 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  39, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H2''    2 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H2''   26 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 829, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H2'     2 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  42, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H2'     2 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  39, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H2'     2 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  45, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H3'     2 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  42, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H3'     2 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H4'     2 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  42, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H5''    2 DA   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  42, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H5''    2 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  39, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H5''    2 DA   H5'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  36, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H5''    2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H5'     2 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  42, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  2 DA   H5'     2 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  39, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  2 DA   H5'     2 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  2 DA   H8     26 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 829, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H1'     3 DG   H8    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H1'     4 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 110, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H1      7 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 212, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  3 DG   H2''    3 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  74, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H2''    3 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  91, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H2''    3 DG   H4'   2.6     5.0    (#medium    )
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  71, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H2''    3 DG   H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  68, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  3 DG   H2''    3 DG   H5''  3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  69, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  3 DG   H2''    3 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  94,  77, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H2'     3 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  74, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H2'     3 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  91, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H2'     3 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  71, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H2'     3 DG   H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  68, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  3 DG   H2'     3 DG   H5''  3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  69, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  3 DG   H2'     3 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  77, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H3'     3 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  74, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H3'     3 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  3 DG   H5'     3 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  71, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H5''    3 DG   H4'   1.8     3.6    (#strong  )
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  71, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  3 DG   H8     26 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 829, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  3 DG   H8     27 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 862, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  4 DG   H1      3 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  83, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  4 DG   H1      7 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 206, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  4 DG   H1      8 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 245, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H1      8 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 239, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  4 DG   H1'     4 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2''    4 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 107, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  4 DG   H2''    4 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 124, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2''    4 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 110, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  4 DG   H2''    5 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 143, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  4 DG   H2'     4 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 107, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2'     4 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 124, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H2'     4 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 110, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  4 DG   H3'     4 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 107, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H3'     4 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H3'     5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H8      3 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  4 DG   H8     27 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 862, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  4 DG   H8     28 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 895, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  5 DG   H1      8 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 245, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  5 DG   H1      8 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 239, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  5 DG   H1      9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H1     11 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 343, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  5 DG   H1'     5 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 143, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H1'    34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 140,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H2''    5 DG   H1'   1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 140, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H2''    5 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 157, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H2''    5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H2''   34 DG   H8    1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat= 160,1085, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H2'     5 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 140, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H2'     5 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 157, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H2'     5 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 143, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  5 DG   H3'     5 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 140, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H3'     5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H3'    34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  5 DG   H8     28 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 895, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  5 DG   H8     30 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 960, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  6 DC   H1'     6 DC   H6    1.8     3.6    (#strong )
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2''    6 DC   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 173, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2''    6 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2'     5 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 149, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  6 DC   H2'     6 DC   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 173, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2'     6 DC   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 190, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H2'     6 DC   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 178, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H2'     6 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  6 DC   H3'     6 DC   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H3'     6 DC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  6 DC   H5      6 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 176, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H1     21 DA   H2    3.6     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 671, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
#  7 DG   H1     22 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 700, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H1     22 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 694, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  7 DG   H1'     7 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H1'     8 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H2''    7 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 203, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H2''    7 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H2''    7 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H2''    8 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H2'     7 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 203, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H2'     7 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H2'     7 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 206, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H2'     8 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  7 DG   H3'     7 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H4'     7 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 203, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  7 DG   H8      3 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  83, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  8 DG   H1     22 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 694, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  8 DG   H1     23 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 727, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  8 DG   H1      7 DG   H1    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 
#
#  8 DG   H1'     8 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H1'     9 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 272, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H2''    5 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 149, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  8 DG   H2''    8 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 236, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H2''    8 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H2''    9 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 272, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H2'     8 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 236, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H2'     8 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  8 DG   H3'     8 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 239, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H3'     9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  8 DG   H8      7 DG   H8    2.6     5.0    (#medium  )
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 DG   H1     23 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 727, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  9 DG   H1     24 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 760, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  9 DG   H1      8 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 245, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 DG   H1'     9 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H1'    10 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
#  9 DG   H2''    9 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H2''    9 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 272, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H2''   11 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 337, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H2'     9 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H2'     9 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 272, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H2'    11 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 337, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  9 DG   H3'     9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
#  9 DG   H8     34 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 272,1091, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10 DA   H1'    10 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H1'    11 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 337, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10 DA   H2''   10 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2''   10 DA   H2'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 320, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2''   10 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2''   10 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 299, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2''   10 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2'    10 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2'    10 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2'    10 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 299, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10 DA   H2'    10 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H2'    11 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 337, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10 DA   H3'    10 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 302, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10 DA   H3'    10 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 DA   H4'    10 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 302, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10 DA   H4'    10 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 DG   H1     24 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 760, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 DG   H1     15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H1'    11 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 337, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2''    9 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 278, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 DG   H2''   11 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 334, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11 DG   H2''   11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H2'     9 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 278, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 DG   H2'    11 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 334, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H2'    11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H2'    12 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 370, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H8      9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H8     10 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11 DG   H8     12 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 370, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H8     34 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 337,1091, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11 DG   H8     35 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 337,1124, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12 DG   H1     16 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 501, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12 DG   H1'    11 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 343, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12 DG   H1'    12 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 370, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2''   12 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2''   12 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 370, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2''   36 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 387,1157, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12 DG   H2'    12 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2'    12 DG   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 387, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2'    12 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 370, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 DG   H2'    36 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 386,1157, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12 DG   H3'    12 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 370, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12 DG   H8     35 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 370,1124, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12 DG   H8     36 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 370,1157, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13 DG   H1     17 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 534, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13 DG   H1     37 DA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 409,1193, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 DG   H1'    13 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 403, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H1'    37 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 400,1193, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13 DG   H2''   13 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 400, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H2''   13 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H2''   13 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 403, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H2'    13 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 400, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H2'    13 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H2'    13 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 403, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 DG   H3'    13 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13 DG   H8     36 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 403,1157, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 DA   H1'    14 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H2''   14 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H2''   14 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 449, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H2''   14 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H2'    14 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H2'    14 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 449, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H2'    14 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H3'    14 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 433, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14 DA   H3'    14 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14 DA   H4'    14 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H1     28 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 889, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H1     30 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 954, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H1     16 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 507, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H1'    15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H1'    16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H2''   15 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 465, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H2''   15 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 482, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H2''   15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H2'    12 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 376, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 15 DG   H2'    28 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 889, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H2'    15 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 465, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H2'    15 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H2'    15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H2'    16 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H3'    15 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 465, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H3'    15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H3'    16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H4'    15 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 465, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H4'    15 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 482, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 DG   H4'    15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H8     24 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 760, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H8     12 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 376, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 15 DG   H8     16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H1     30 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 954, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16 DG   H1     31 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 987, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H1'    16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H1'    17 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2''   16 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 498, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2''   16 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 501, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2''   17 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2'    16 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 498, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2'    16 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 501, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H2'    17 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 16 DG   H3'    16 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 498, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H3'    16 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H3'    17 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 534, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16 DG   H8     13 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 409, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1     31 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 993, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1     31 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 987, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 17 DG   H1     32 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1026, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1     32 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 540,1020, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 17 DG   H1     16 DG   H1    2.6     5.0    (#medium )
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 507, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1     18 DA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 576, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1'    17 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 534, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H1'    18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H2''   17 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 531, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2''   17 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 548, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H2''   17 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 528, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H2''   17 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2''   18 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2'    17 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 531, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2'    17 DG   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 551, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2'    17 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 548, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2'    17 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 528, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H2'    17 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 DG   H2'    18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H3'    17 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 531, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H3'    17 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 534, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H3'    18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H4'    17 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 548, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H8     16 DG   H8    2.6     5
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 501, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17 DG   H8     18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H1'    18 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 567, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H1'    19 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 599, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H2     32 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 576,1026, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H2     32 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 576,1020, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H2''   18 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 564, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H2''   18 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 561, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H2''   18 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 567, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H2'    18 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 564, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H2'    18 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 561, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H2'    18 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 567, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H3'    18 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 564, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H3'    18 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 567, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H3'    19 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 599, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18 DA   H4'    18 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 564, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18 DA   H4'    18 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 567, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 DA3  H1'    19 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 599, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H2''   19 DA3  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 596, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H2''   19 DA3  H2'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 614, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H2''   19 DA3  H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 612, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 DA3  H2''   19 DA3  H4'   2.6     5.0    (#medium   )
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 593, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 DA3  H2''   19 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 599, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H2'    19 DA3  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 596, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H2'    19 DA3  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H2'    19 DA3  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 593, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19 DA3  H2'    19 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 599, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H3'    19 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 599, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H4'    19 DA3  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 596, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H4'    19 DA3  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 612, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19 DA3  H4'    19 DA3  H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 599, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H1'    20 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2''   20 DT5  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 627, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H2''   20 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 643, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H2''   20 DT5  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 624, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2''   20 DT5  H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 621, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2''   20 DT5  H5''  2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 622, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2''   20 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H2''   21 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2''    7 DG   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 646, 203, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H2'    20 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2'    20 DT5  H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 646, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H2'    20 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 643, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H2'    20 DT5  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 624, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2'    20 DT5  H5'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 621, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2'    20 DT5  H5''  2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 622, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H2'    20 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H2'    21 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 662, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H2'     7 DG   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 203, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H3'    20 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H3'    20 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H4'    20 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H4'    20 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 643, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H4'    20 DT5  H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H4'    21 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H5'    20 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H5'    20 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 643, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H5'    20 DT5  H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 624, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H5'    20 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H5'    21 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 671, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H5'     7 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 206, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H5''   20 DT5  H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  H5''   20 DT5  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 643, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H5''   20 DT5  H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 624, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H5''   20 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  H5''   21 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 671, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H5''    7 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 206, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H6     21 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 671, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  H6      7 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 206, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  C7     20 DT5  H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 621, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  C7     20 DT5  H5''  3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 622, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  C7     20 DT5  H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 DT5  C7     21 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 671, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  C7     21 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 662, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 20 DT5  C7      7 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 203, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 20 DT5  C7      7 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 206, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H1'    21 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H1'    22 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 694, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H2     22 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 700, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 21 DA   H2''   21 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 659, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H2''   21 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 656, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H2''   21 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H2''    7 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 678, 212, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 21 DA   H2'    21 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 659, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H2'    21 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 656, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H2'    21 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 662, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H3'    21 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 659, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H3'    21 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H4'    21 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 659, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H5''   21 DA   H1'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 659, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 21 DA   H5''   21 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H5''   21 DA   H5'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 653, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H5''   21 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 662, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 21 DA   H5'    21 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 659, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 21 DA   H5'    21 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 656, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 21 DA   H5'    21 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 662, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 21 DA   H8      7 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 212, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 DG   H1'    22 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 694, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 DG   H1'    23 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 727, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H1     26 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 829, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 DG   H2''   22 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 691, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H2''   22 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 708, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H2''   22 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 688, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 DG   H2''   22 DG   H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 685, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 DG   H2''   22 DG   H5''  3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 686, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 DG   H2''   22 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 694, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H2'    22 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 691, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H2'    22 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 708, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H2'    22 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 688, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 DG   H2'    22 DG   H5'   3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 685, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 DG   H2'    22 DG   H5''  3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 686, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 DG   H2'    22 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 694, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H3'    22 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 691, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 DG   H3'    22 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 694, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 22 DG   H5'    22 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H5''   22 DG   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 688, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 22 DG   H8      7 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 212, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 22 DG   H8      8 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 245, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 23 DG   H1     22 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 700, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 23 DG   H1     26 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 823, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 23 DG   H1     27 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 862, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H1     27 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 856, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 23 DG   H1'    23 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 727, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H2''   23 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 724, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 DG   H2''   23 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 741, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H2''   23 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 727, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 DG   H2''   24 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 DG   H2'    23 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 724, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H2'    23 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 741, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H2'    23 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 727, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 23 DG   H3'    23 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 724, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H3'    23 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 727, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H3'    24 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 760, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H8     22 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 694, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 23 DG   H8      8 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 245, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 23 DG   H8      9 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 278, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 24 DG   H1     27 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 862, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 24 DG   H1     27 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 856, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 24 DG   H1     28 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 889, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 DG   H1     30 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 960, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 24 DG   H1'    24 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H1'    15  DG   H8   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 DG   H2''   24 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 757, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H2''   24 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 774, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H2''   24 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 760, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 DG   H2''   15 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 777, 468, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H2'    24 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 757, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H2'    24 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 774, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H2'    24 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 24 DG   H3'    24 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 757, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 DG   H3'    24 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 760, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 DG   H3'    15 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 468, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 24 DG   H8      9 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 278, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 24 DG   H8     11 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 343, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 25 DC   H1'    25 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 793, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 DC   H2''   25 DC   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 790, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 DC   H2''   25 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 793, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 DC   H2'    24 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 766, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 25 DC   H2'    25 DC   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 790, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 DC   H2'    25 DC   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 807, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 DC   H2'    25 DC   H5    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 795, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 25 DC   H2'    25 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 793, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 25 DC   H3'    25 DC   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 790, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 25 DC   H3'    25 DC   H6    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 793, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 25 DC   H5     25 DC   H6    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 793, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H1      2 DA   H2    3.6     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  54, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 26 DG   H1      3 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 DG   H1      3 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  77, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 26 DG   H1'    26 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 823, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 DG   H1'    27 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 856, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 DG   H2''   26 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 820, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H2''   26 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 837, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H2''   26 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 823, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 DG   H2''   27 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 856, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H2'    26 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 820, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H2'    26 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H2'    26 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 823, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H2'    27 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 856, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 26 DG   H3'    26 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 823, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 DG   H4'    26 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 820, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 26 DG   H8     22 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 700, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 27 DG   H1      3 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 862,  77, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 27 DG   H1      4 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 110, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 27 DG   H1     26 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 829, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 27 DG   H1'    27 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 856, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H1'    28 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 889, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H2''   24 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 766, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 27 DG   H2''   27 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 853, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H2''   27 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 856, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H2''   28 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 889, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H2'    27 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 853, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H2'    27 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 856, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 DG   H3'    27 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 856, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 27 DG   H3'    28 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 889, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 27 DG   H8     26 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 823, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 28 DG   H1      4 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 110, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 28 DG   H1      5 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 143, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 28 DG   H1     27 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 862, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 28 DG   H1'    28 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 889, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H1'    29 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 922, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 28 DG   H2''   28 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 886, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H2''   28 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 889, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H2''   30 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 954, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H2'    28 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 886, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H2'    28 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 889, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H2'    30 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 954, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 28 DG   H3'    28 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 889, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 28 DG   H8     15 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 474, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 29 DA   H1'    29 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 922, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H1'    30 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 954, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 29 DA   H2''   29 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 919, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2''   29 DA   H2'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 937, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2''   29 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 935, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2''   29 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2''   29 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 922, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2'    29 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 919, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2'    29 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2'    29 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 916, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 29 DA   H2'    29 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 922, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H2'    30 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 937, 954, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 29 DA   H3'    29 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 919, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 29 DA   H3'    29 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 922, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 DA   H4'    29 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 919, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 29 DA   H4'    29 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 922, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 30 DG   H1      5 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 143, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 30 DG   H1     34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H1'    30 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 954, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 30 DG   H2''   28 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 895, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 30 DG   H2''   30 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 951, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 30 DG   H2''   30 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 954, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H2'    28 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 895, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 30 DG   H2'    30 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 951, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H2'    30 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 954, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H2'    31 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 987, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H8     28 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 889, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H8     29 DA   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 922, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 30 DG   H8     31 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 987, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H8     15 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 474, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 30 DG   H8     16 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 507, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 DG   H1     35 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1118, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 DG   H1'    30 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 960, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 DG   H1'    31 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 987, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 DG   H2''   31 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1004, 984, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 DG   H2''   31 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1004, 987, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 DG   H2''   17 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1004, 540, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 DG   H2'    31 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1003, 984, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 DG   H2'    31 DG   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1003,1004, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 DG   H2'    31 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1003, 987, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 31 DG   H2'    17 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1003, 540, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 DG   H3'    31 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1001, 987, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 31 DG   H8     16 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 987, 507, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 31 DG   H8     17 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 987, 540, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 32 DG   H1     36 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1151, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 32 DG   H1     18 DA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1026, 576, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 32 DG   H1'    32 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1020, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H1'    18 DA   H2    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1017, 576, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 32 DG   H2''   32 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1017, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H2''   32 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1034, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H2''   32 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1037,1020, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H2'    32 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1017, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H2'    32 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1034, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H2'    32 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1020, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 32 DG   H3'    32 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1034,1020, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 32 DG   H8     17 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1020, 540, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 33 DA   H1'    33 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1053, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H2''   33 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1050, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H2''   33 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1066, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H2''   33 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1053, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H2'    33 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1050, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H2'    33 DA   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H2'    33 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1053, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H3'    33 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1050, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 33 DA   H3'    33 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1053, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 33 DA   H4'    33 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1047,1050, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H1      9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1091, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H1     11 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1091, 337, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H1     35 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1091,1124, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H1'    34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H1'    35 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1118, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H2''   34 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1082, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H2''   34 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H2''   34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H2'    31 DG   H1    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1101, 993, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 34 DG   H2'     9 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1101, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H2'    34 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1082, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H2'    34 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H2'    34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H2'    35 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H3'    34 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1082, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H3'    34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H3'    35 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1118, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H4'    34 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1082, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H4'    34 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 34 DG   H4'    34 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1085, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H8      5 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1085, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H8     31 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1085, 993, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 34 DG   H8     35 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1118, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 DG   H1     11 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1124, 337, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 35 DG   H1     12 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1124, 370, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 DG   H1'    35 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1118, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 DG   H1'    36 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H2''   35 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1115, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H2''   35 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H2''   36 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H2'    35 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1134,1115, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H2'    35 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1134,1118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H2'    36 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1134,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H3'    35 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1115, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 DG   H3'    35 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1118, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 35 DG   H3'    36 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1151, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 35 DG   H8     32 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1026, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H1     12 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1157, 376, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H1     12 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1157, 370, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 36 DG   H1     13 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1157, 409, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H1     13 DG   H8    3.5     6.5    (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=1157, 403, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 36 DG   H1     35 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1124, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H1     37 DA   H2    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1193, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H1'    36 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1148,1151, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H1'    37 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1148,1184, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H2''   36 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1148, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2''   36 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1165, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H2''   36 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1145, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H2''   36 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2''   37 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1184, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2'    36 DG   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1148, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2'    36 DG   H2''  1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1168, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2'    36 DG   H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2'    36 DG   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1145, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H2'    36 DG   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 36 DG   H2'    37 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1167,1184, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H3'    36 DG   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1148, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H3'    36 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1151, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H3'    37 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1184, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H4'    36 DG   H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1165, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H8     35 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1118, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 36 DG   H8     37 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1184, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H1'    37 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1184, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H1'    38 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1216, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H2     13 DG   H1    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1193, 409, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H2     13 DG   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1193, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H2''   37 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H2''   37 DA   H4'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1178, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H2''   37 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1184, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H2'    37 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H2'    37 DA   H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1178, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H2'    37 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1184, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H3'    37 DA   H1'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1181, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H3'    37 DA   H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1184, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H3'    38 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1216, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 37 DA   H4'    37 DA   H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 37 DA   H4'    37 DA   H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1184, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 DA3  H1'    38 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1216, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H2''   38 DA3  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1213, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H2''   38 DA3  H2'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1231, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H2''   38 DA3  H3'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1229, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 DA3  H2''   38 DA3  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1210, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 DA3  H2''   38 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1216, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H2'    38 DA3  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1213, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H2'    38 DA3  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1229, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H2'    38 DA3  H4'   2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1210, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 38 DA3  H2'    38 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1216, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H3'    38 DA3  H8    1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1216, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H4'    38 DA3  H1'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1213, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H4'    38 DA3  H3'   1.8     3.6    (#strong)
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1229, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 38 DA3  H4'    38 DA3  H8    2.6     5.0    (#medium)
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1216, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#


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